-
1
-
-
36549093927
-
-
K. Jankowski, R. Becherer, P. S. Scharf, H. Schiffer, and R. Ahlrichs, J. Chem. Phys. 82, 1413 (1985).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 1413
-
-
Jankowski, K.1
Becherer, R.2
Scharf, P.S.3
Schiffer, H.4
Ahlrichs, R.5
-
4
-
-
3843146349
-
-
D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993); T. H. Dunning, Jr., K. A. Peterson, and A. K. Wilson, J. Chem. Phys. 114, 9244 (2001).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1358
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
5
-
-
0035366784
-
-
D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.464303 98, 1358 (1993); T. H. Dunning, Jr., K. A. Peterson, and A. K. Wilson, J. Chem. Phys. 114, 9244 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 9244
-
-
Dunning Jr., T.H.1
Peterson, K.A.2
Wilson, A.K.3
-
6
-
-
0001242018
-
-
A. K. Wilson, K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7667
-
-
Wilson, A.K.1
Peterson, K.A.2
Woon, D.E.3
Dunning Jr., T.H.4
-
7
-
-
0347151609
-
-
K. A. Peterson, J. Chem. Phys. 0021-9606 10.1063/1.1622923 119, 11099 (2003); K. A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. 119, 11113 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 11099
-
-
Peterson, K.A.1
-
8
-
-
0346521279
-
-
K. A. Peterson, J. Chem. Phys. 0021-9606 10.1063/1.1622923 119, 11099 (2003); K. A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys. 119, 11113 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 11113
-
-
Peterson, K.A.1
Figgen, D.2
Goll, E.3
Stoll, H.4
Dolg, M.5
-
9
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.462569 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.466439 100, 2975 (1994); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
10
-
-
26444474547
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.462569 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.466439 100, 2975 (1994); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2975
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
11
-
-
36449006587
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 0021-9606 10.1063/1.462569 96, 6796 (1992); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 10.1063/1.466439 100, 2975 (1994); D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 103, 4572 (1995).
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 4572
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
14
-
-
27344448074
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 299
-
-
Hay, P.J.1
Wadt, W.R.2
-
15
-
-
33745770836
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270
-
-
Hay, P.J.1
Wadt, W.R.2
-
16
-
-
33745770836
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612
-
-
Stevens, W.J.1
Krauss, M.2
Basch, H.3
Jasien, P.G.4
-
17
-
-
84988112847
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1987)
J. Comput. Chem.
, vol.8
, pp. 861
-
-
Dobbs, K.D.1
Hehre, W.J.2
-
18
-
-
0037838966
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 7775
-
-
Mitin, A.V.1
Baker, J.2
Pulay, P.3
-
19
-
-
0001508425
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 1223
-
-
Rassolov, V.A.1
Pople, J.A.2
Ratner, M.A.3
Windus, T.L.4
-
20
-
-
36549092018
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 866
-
-
Dolg, M.1
Wedig, U.2
Stoll, H.3
Preuss, H.4
-
21
-
-
0038509970
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1009
-
-
Lovallo, C.C.1
Klobukowski, M.2
-
22
-
-
0001853519
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1995)
Theor. Chim. Acta
, vol.91
, pp. 353
-
-
Kellö, V.1
Sadlej, A.J.2
-
23
-
-
0002001566
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1996)
Theor. Chim. Acta
, vol.94
, pp. 93
-
-
Kellö, V.1
Sadlej, A.J.2
-
24
-
-
0040975149
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1996)
Theor. Chim. Acta
, vol.93
, pp. 101
-
-
Neogrady, P.1
Kellö, V.2
Urban, M.3
Sadlej, A.J.4
-
25
-
-
0000958477
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 10436
-
-
Rakowitz, F.1
Marian, C.M.2
Seijo, L.3
-
26
-
-
0039209924
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
27
-
-
0942268401
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 12753
-
-
Weigend, F.1
Furche, F.2
Ahlrichs, R.3
-
28
-
-
36549103818
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 6840
-
-
Hurley, M.M.1
Pacios, L.F.2
Christiansen, P.A.3
Ross, R.B.4
Ermler, W.C.5
-
29
-
-
0033426488
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(1999)
Theor. Chem. Acc.
, vol.102
, pp. 105
-
-
Koga, T.1
Tatewaki, H.2
Matsuyama, H.3
Satoh, Y.4
-
30
-
-
0035934185
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448975 82, 299 (1985); P. J. Hay and W. R. Wadt, J. Chem. Phys. 0021-9606 10.1063/1.448799 82, 270 (1985); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 0008-4042 70, 612 (1992); K. D. Dobbs and W. J. Hehre, J. Comput. Chem. 0192-8651 10.1002/jcc.540080614 8, 861 (1987); A. V. Mitin, J. Baker, and P. Pulay, J. Chem. Phys. 0021-9606 10.1063/1.1563619 118, 7775 (2003); V. A. Rassolov, J. A. Pople, M. A. Ratner, and T. L. Windus, J. Chem. Phys. 0021-9606 10.1063/1.476673 109, 1223 (1998); M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 0021-9606 10.1063/1.452288 86, 866 (1987); C. C. Lovallo and M. Klobukowski, J. Comput. Chem. 0192-8651 10.1002/jcc.10251 24, 1009 (2003); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01133080 91, 353 (1995); V. Kellö and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/s002140050166 94, 93 (1996); P. Neogrady, V. Kellö, M. Urban, and A. J. Sadlej, Theor. Chim. Acta 0040-5744 10.1007/BF01113551 93, 101 (1996); F. Rakowitz, C. M. Marian, and L. Seijo, J. Chem. Phys. 0021-9606 10.1063/1.480398 111, 10436 (1999); A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.467146 100, 5829 (1994); F. Weigend, F. Furche, and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1627293 119, 12753 (2003); M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys. 0021-9606 10.1063/1.450689 84, 6840 (1986); T. Koga, H. Tatewaki, H. Matsuyama, and Y. Satoh, Theor. Chem. Acc. 1432-881X 10.1007/s002140050479 102, 105 (1999); T. Koga, H. Tatewaki, and O. Matsuoka, J. Chem. Phys. 115, 3561 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 3561
-
-
Koga, T.1
Tatewaki, H.2
Matsuoka, O.3
-
31
-
-
0034417983
-
-
T. Noro, M. Sekiya, T. Koga, and H. Matsuyama, Theor. Chem. Acc. 104, 146 (2000).
-
(2000)
Theor. Chem. Acc.
, vol.104
, pp. 146
-
-
Noro, T.1
Sekiya, M.2
Koga, T.3
Matsuyama, H.4
-
36
-
-
36148931496
-
-
M. Douglas and N. M. Kroll, Ann. Phys. (N.Y.) 0003-4916 10.1016/0003-4916(74)90333-9 82, 89 (1974); G. Jansen and B. A. Hess, Phys. Rev. A 39, 6016 (1989).
-
(1974)
Ann. Phys. (N.Y.)
, vol.82
, pp. 89
-
-
Douglas, M.1
Kroll, N.M.2
-
37
-
-
0000110072
-
-
M. Douglas and N. M. Kroll, Ann. Phys. (N.Y.) 0003-4916 10.1016/0003-4916(74)90333-9 82, 89 (1974); G. Jansen and B. A. Hess, Phys. Rev. A 39, 6016 (1989).
-
(1989)
Phys. Rev. A
, vol.39
, pp. 6016
-
-
Jansen, G.1
Hess, B.A.2
-
38
-
-
0004161838
-
-
2nd ed. (Cambridge University Press, Cambridge
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipies in FORTRAN: The Art of Scientific Computing, 2nd ed. (Cambridge University Press, Cambridge, 1992).
-
(1992)
Numerical Recipies in FORTRAN: The Art of Scientific Computing
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
42
-
-
4243540796
-
-
R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-O. Widmark, and B. O. Roos, Theor. Chim. Acta 92, 149 (1995).
-
(1995)
Theor. Chim. Acta
, vol.92
, pp. 149
-
-
Pou-Aḿrigo, R.1
Merchan, M.2
Nebot-Gil, I.3
Widmark, P.-O.4
Roos, B.O.5
-
44
-
-
33645597708
-
-
Wiley, New York
-
K. Ruedenberg, R. C. Raffenetti, and R. D. Bardo, in Energy, Structure and Reactivity, Proceedings of the 1972 Boulder Conference on Theoretical Chemistry. (Wiley, New York, 1973); D. F. Feller and K. Ruedenberg, Theor. Chim. Acta 52, 231 (1979).
-
(1973)
Energy, Structure and Reactivity, Proceedings of the 1972 Boulder Conference on Theoretical Chemistry
-
-
Ruedenberg, K.1
Raffenetti, R.C.2
Bardo, R.D.3
-
45
-
-
3943088128
-
-
K. Ruedenberg, R. C. Raffenetti, and R. D. Bardo, in Energy, Structure and Reactivity, Proceedings of the 1972 Boulder Conference on Theoretical Chemistry. (Wiley, New York, 1973); D. F. Feller and K. Ruedenberg, Theor. Chim. Acta 52, 231 (1979).
-
(1979)
Theor. Chim. Acta
, vol.52
, pp. 231
-
-
Feller, D.F.1
Ruedenberg, K.2
-
48
-
-
33645591126
-
-
H. Partridge, NASA Technical Memorandum Report No. 101044, 1989.
-
(1989)
-
-
Partridge, H.1
-
49
-
-
0037439711
-
-
G. A. Petersson, S. Zhong, J. A. Montgomery, Jr., and M. J. Frisch, J. Chem. Phys. 118, 1101 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1101
-
-
Petersson, G.A.1
Zhong, S.2
Montgomery Jr., J.A.3
Frisch, M.J.4
-
50
-
-
33645596491
-
-
Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, Gaussian 03, revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
54
-
-
4244006526
-
-
J. M. Garcia de la Vega, J. Phys. B 0953-4075 10.1088/0953-4075/27/15/002 27, L447 (1994); T. Koga, H. Tatewaki, and A. J. Thakkar, J. Chem. Phys. 100, 8140 (1994).
-
(1994)
J. Phys. B
, vol.27
, pp. 447
-
-
Garcia Delavega, J.M.1
-
55
-
-
0001322027
-
-
J. M. Garcia de la Vega, J. Phys. B 0953-4075 10.1088/0953-4075/27/15/002 27, L447 (1994); T. Koga, H. Tatewaki, and A. J. Thakkar, J. Chem. Phys. 100, 8140 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 8140
-
-
Koga, T.1
Tatewaki, H.2
Thakkar, A.J.3
-
56
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
57
-
-
33845280230
-
-
M. Rittby and R. J. Bartlett, J. Phys. Chem. 0022-3654 10.1021/j100322a004 92, 3033 (1988); G. E. Scuseria, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90005-T 176, 27 (1991); P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.465990 99, 5219 (1994); M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3033
-
-
Rittby, M.1
Bartlett, R.J.2
-
58
-
-
0001957443
-
-
M. Rittby and R. J. Bartlett, J. Phys. Chem. 0022-3654 10.1021/j100322a004 92, 3033 (1988); G. E. Scuseria, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90005-T 176, 27 (1991); P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.465990 99, 5219 (1994); M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
-
(1991)
Chem. Phys. Lett.
, vol.176
, pp. 27
-
-
Scuseria, G.E.1
-
59
-
-
36449001370
-
-
M. Rittby and R. J. Bartlett, J. Phys. Chem. 0022-3654 10.1021/j100322a004 92, 3033 (1988); G. E. Scuseria, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90005-T 176, 27 (1991); P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.465990 99, 5219 (1994); M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
-
(1994)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
60
-
-
0011006010
-
-
M. Rittby and R. J. Bartlett, J. Phys. Chem. 0022-3654 10.1021/j100322a004 92, 3033 (1988); G. E. Scuseria, Chem. Phys. Lett. 0009-2614 10.1016/0009-2614(91)90005-T 176, 27 (1991); P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 0021-9606 10.1063/1.465990 99, 5219 (1994); M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.227
, pp. 321
-
-
Deegan, M.J.O.1
Knowles, P.J.2
-
61
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., J. Chem. Phys. 100, 7410 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning Jr., T.H.3
-
62
-
-
0000724478
-
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 0021-9606 10.1063/1.473863 106, 9639 (1997); A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00111-0 286, 243 (1998); W. Klopper, K. L. Bak, P. Jørgensen, J. Olsen, and T. Helgaker, J. Phys. B 32, R103 (1999).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
63
-
-
0032502389
-
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 0021-9606 10.1063/1.473863 106, 9639 (1997); A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00111-0 286, 243 (1998); W. Klopper, K. L. Bak, P. Jørgensen, J. Olsen, and T. Helgaker, J. Phys. B 32, R103 (1999).
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
64
-
-
0011993973
-
-
T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 0021-9606 10.1063/1.473863 106, 9639 (1997); A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(98)00111-0 286, 243 (1998); W. Klopper, K. L. Bak, P. Jørgensen, J. Olsen, and T. Helgaker, J. Phys. B 32, R103 (1999).
-
(1999)
J. Phys. B
, vol.32
, pp. 103
-
-
Klopper, W.1
Bak, K.L.2
Jørgensen, P.3
Olsen, J.4
Helgaker, T.5
-
66
-
-
0040928877
-
-
edited by A.Veillard (Reidel, Dordrecht
-
C. W. Bauschlicher, Jr., S. P. Walch, and S. R. Langhoff, in Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry, edited by, A. Veillard, (Reidel, Dordrecht, 1986), p. 15.
-
(1986)
Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry
, pp. 15
-
-
Bauschlicher Jr., C.W.1
Walch, S.P.2
Langhoff, S.R.3
-
67
-
-
0031285746
-
-
T. Koga, H. Aoki, J. M. Garcia de la Vega, and H. Tatewaki, Theor. Chem. Acc. 96, 248 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.96
, pp. 248
-
-
Koga, T.1
Aoki, H.2
Garciadelavega, J.M.3
Tatewaki, H.4
-
70
-
-
0032222230
-
-
N. Miura, T. Noro, F. Sasaki, and Y. Osanai, Theor. Chem. Acc. 99, 248 (1998).
-
(1998)
Theor. Chem. Acc.
, vol.99
, pp. 248
-
-
Miura, N.1
Noro, T.2
Sasaki, F.3
Osanai, Y.4
-
71
-
-
0035609105
-
-
Y. Osanai, H. Ishikawa, N. Miura, and T. Noro, Theor. Chem. Acc. 105, 437 (2001).
-
(2001)
Theor. Chem. Acc.
, vol.105
, pp. 437
-
-
Osanai, Y.1
Ishikawa, H.2
Miura, N.3
Noro, T.4
-
73
-
-
0000636060
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 4597
-
-
Walch, S.P.1
Bauschlicher Jr., C.W.2
-
74
-
-
0347461893
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1989)
J. Mol. Spectrosc.
, vol.138
, pp. 108
-
-
Langhoff, S.R.1
Bauschlicher Jr., C.W.2
Rendell, A.P.3
-
75
-
-
36449001613
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 5574
-
-
Marian, C.M.1
-
76
-
-
36448998648
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4893
-
-
Pou-Aḿrigo, R.1
Merchan, M.2
Nebot-Gil, I.3
Malmqvist, P.-Å.4
Roos, B.O.5
-
77
-
-
19944397060
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2024
-
-
Collins, C.L.1
Dyall, K.G.2
Schaefer Iii, H.F.3
-
78
-
-
0001315257
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1997)
Int. J. Quantum Chem.
, vol.61
, pp. 443
-
-
Barone, V.1
Adamo, C.2
-
79
-
-
0000502065
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 7185
-
-
Hrusak, J.1
Ten-No, S.2
Iwata, S.3
-
80
-
-
0000752744
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1998)
J. Mol. Spectrosc.
, vol.188
, pp. 138
-
-
Boldyrev, A.I.1
Simons, J.2
-
81
-
-
0038346162
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 392
-
-
Van Wuellen, C.1
-
82
-
-
0034228773
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 690
-
-
Barden, C.J.1
Rienstra-Kiracofe, J.C.2
Schaefer Iii, H.F.3
-
83
-
-
0001533310
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 545
-
-
Yanagisawa, S.1
Tsuneda, T.2
Hirao, K.3
-
84
-
-
0037034434
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 785
-
-
Koseki, S.1
Ishihara, Y.2
Umeda, H.3
Fedorov, D.G.4
Gordon, M.S.5
-
85
-
-
0038005319
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4755
-
-
Gutsev, G.L.1
Bauschlicher Jr., C.W.2
-
86
-
-
0038620419
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 4081
-
-
Wang, X.1
Andrews, L.2
-
87
-
-
0037239740
-
-
S. P. Walch and C. W. Bauschlicher, Jr., J. Chem. Phys. 0021-9606 10.1063/1.445301 78, 4597 (1983); S. R. Langhoff, C. W. Bauschlicher, Jr., and A. P. Rendell, J. Mol. Spectrosc. 0022-2852 138, 108 (1989); C. M. Marian, J. Chem. Phys. 0021-9606 10.1063/1.460493 94, 5574 (1991); R. Pou-Aḿrigo, M. Merchan, I. Nebot-Gil, P.-Å. Malmqvist, and B. O. Roos, J. Chem. Phys. 0021-9606 10.1063/1.467411 101, 4893 (1994); C. L. Collins, K. G. Dyall, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.468724 102, 2024 (1995); V. Barone and C. Adamo, Int. J. Quantum Chem. 0020-7608 10.1002/(SICI)1097- 461X(1997)61:3<443::AID-QUA11>3.0.CO;2-A 61, 443 (1997); J. Hrusak, S. Ten-no, and S. Iwata, J. Chem. Phys. 0021-9606 10.1063/1.473680 106, 7185 (1997); A. I. Boldyrev and J. Simons, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7512 188, 138 (1998); C. van Wuellen, J. Chem. Phys. 0021-9606 10.1063/1.476576 109, 392 (1998); C. J. Barden, J. C. Rienstra-Kiracofe, and H. F. Schaefer, III, J. Chem. Phys. 0021-9606 10.1063/1.481916 113, 690 (2000); S. Yanagisawa, T. Tsuneda, and K. Hirao, J. Chem. Phys. 0021-9606 10.1063/1.480546 112, 545 (2000); S. Koseki, Y. Ishihara, H. Umeda, D. G. Fedorov, and M. S. Gordon, J. Phys. Chem. A 1089-5639 10.1021/jp012644e 106, 785 (2002); G. L. Gutsev and C. W. Bauschlicher, Jr., J. Phys. Chem. A 1089-5639 10.1021/jp030146v 107, 4755 (2003); X. Wang and L. Andrews, J. Phys. Chem. A 1089-5639 107, 4081 (2003); D. J. D. Wilson, C. J. Marsden, and E. I. von Nagy-Felsobuki, Phys. Chem. Chem. Phys. 5, 252 (2003).
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 252
-
-
Wilson, D.J.D.1
Marsden, C.J.2
Von Nagy-Felsobuki, E.I.3
-
90
-
-
84860975573
-
-
See EPAPS Document No. E-JCPSA6-123-316528 for Gaussian exponents and contraction coefficients for the following basis sets: cc-pVnZ-DK, cc-pVnZ, cc-pwCVnZ-DK, cc-pwCVnZ, and their associated diffuse functions. n=T,Q, and 5 in each case. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/ pubservs/epaps.html).
-
EPAPS Document No. E-JCPSA6-123-316528
, vol.E-JCPSA6-123-316528
-
-
-
91
-
-
0003392735
-
-
NSRDS-NBS 35, Office of Standard Reference Data, National Bureau of Standards, Washington, DC
-
C. E. Moore, Atomic Energy Levels (NSRDS-NBS 35, Office of Standard Reference Data, National Bureau of Standards, Washington, DC, 1971).
-
(1971)
Atomic Energy Levels
-
-
Moore, C.E.1
-
95
-
-
0001220731
-
-
A. M. James, P. Kowalczyk, E. Langlois, M. D. Campell, A. Ogawa, and B. Simard, J. Chem. Phys. 101, 4485 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 4485
-
-
James, A.M.1
Kowalczyk, P.2
Langlois, E.3
Campell, M.D.4
Ogawa, A.5
Simard, B.6
-
99
-
-
36749121393
-
-
C. S. Feigerle, R. R. Corderman, S. V. Bobashev, and W. C. Lineberger, J. Chem. Phys. 74, 1580 (1981).
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 1580
-
-
Feigerle, C.S.1
Corderman, R.R.2
Bobashev, S.V.3
Lineberger, W.C.4
-
103
-
-
0000362854
-
-
M. Scheer, C. A. Brodie, R. C. Bilodeau, and H. K. Haugen, Phys. Rev. A 58, 2051 (1998).
-
(1998)
Phys. Rev. A
, vol.58
, pp. 2051
-
-
Scheer, M.1
Brodie, C.A.2
Bilodeau, R.C.3
Haugen, H.K.4
-
104
-
-
0037460581
-
-
N. Andersson, W. J. Balfour, P. F. Bernath, B. Lindgren, and R. S. Ram, J. Chem. Phys. 118, 3543 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 3543
-
-
Andersson, N.1
Balfour, W.J.2
Bernath, P.F.3
Lindgren, B.4
Ram, R.S.5
-
110
-
-
0000814843
-
-
R. S. Ram, J. R. D. Peers, Y. Teng, A. G. Adam, A. Muntianu, P. F. Bernath, and S. P. Davis, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7301 184, 186 (1997); K. F. Zmbov and J. L. Margrave, J. Phys. Chem. 71, 2893 (1967).
-
(1997)
J. Mol. Spectrosc.
, vol.184
, pp. 186
-
-
Ram, R.S.1
Peers, J.R.D.2
Teng, Y.3
Adam, A.G.4
Muntianu, A.5
Bernath, P.F.6
Davis, S.P.7
-
111
-
-
0346466494
-
-
R. S. Ram, J. R. D. Peers, Y. Teng, A. G. Adam, A. Muntianu, P. F. Bernath, and S. P. Davis, J. Mol. Spectrosc. 0022-2852 10.1006/jmsp.1997.7301 184, 186 (1997); K. F. Zmbov and J. L. Margrave, J. Phys. Chem. 71, 2893 (1967).
-
(1967)
J. Phys. Chem.
, vol.71
, pp. 2893
-
-
Zmbov, K.F.1
Margrave, J.L.2
|