-
4
-
-
84865732662
-
-
W. Kühle, M. Dolg, H. Stoll, and H. Preuss, Mol. Phys. 74, 1245 (1991).
-
(1991)
Mol. Phys.
, vol.74
, pp. 1245
-
-
Kühle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
5
-
-
36549096029
-
-
(a) W. Müller, J. Flesh, and W. Meyer, J. Chem. Phys, 80, 3297 (1984);
-
(1984)
J. Chem. Phys
, vol.80
, pp. 3297
-
-
Müller, W.1
Flesh, J.2
Meyer, W.3
-
6
-
-
49049133260
-
-
(b) P. Fuentealba, H. Preuss, H. Stoll, and L. v. Szentpaly, Chem. Phys. Lett. 89, 418 (1982).
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 418
-
-
Fuentealba, P.1
Preuss, H.2
Stoll, H.3
Szentpaly, L.V.4
-
7
-
-
0001375710
-
-
Plenum, New York, and references therein
-
M. Urban, I. Cernušák, V. Kellö, and J. Noga, in Methods in Computational Chemistry (Plenum, New York, 1987), Vol. 1, p. 117, and references therein.
-
(1987)
Methods in Computational Chemistry
, vol.1
, pp. 117
-
-
Urban, M.1
Cernušák, I.2
Kellö, V.3
Noga, J.4
-
12
-
-
0013004607
-
-
(a) K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej, and K. Woliński, J. Phys. Chem. 94, 5483 (1990);
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Woliński, K.5
-
14
-
-
0001072384
-
-
J. D. Watts, M. Urban, and R. J. Bartlett, Theor. Chim. Acta 90, 341 (1995). See also: V. Parasuk, P. Neogrády, H. Lischka, and M. Urban, J. Phys. Chem. 100, 6325 (1996).
-
(1995)
Theor. Chim. Acta
, vol.90
, pp. 341
-
-
Watts, J.D.1
Urban, M.2
Bartlett, R.J.3
-
15
-
-
0030125591
-
-
J. D. Watts, M. Urban, and R. J. Bartlett, Theor. Chim. Acta 90, 341 (1995). See also: V. Parasuk, P. Neogrády, H. Lischka, and M. Urban, J. Phys. Chem. 100, 6325 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 6325
-
-
Parasuk, V.1
Neogrády, P.2
Lischka, H.3
Urban, M.4
-
21
-
-
0002743754
-
-
edited by S. Wilson Plenum, New York
-
(c) I. P. Grant, in Methods in Computational Chemistry, Vol. 2, edited by S. Wilson (Plenum, New York, 1987), p. 1;
-
(1987)
Methods in Computational Chemistry
, vol.2
, pp. 1
-
-
Grant, I.P.1
-
23
-
-
7744222524
-
-
(e) K. G. Dyall, I. P. Grant, C. T. Johnson, F. A. Parpia, and E. P. Plummer, Comput. Phys. Commun. 55, 425 (1989);
-
(1989)
Comput. Phys. Commun.
, vol.55
, pp. 425
-
-
Dyall, K.G.1
Grant, I.P.2
Johnson, C.T.3
Parpia, F.A.4
Plummer, E.P.5
-
24
-
-
84990466431
-
-
edited by E. Clementi ESCOM, Leiden
-
(f) A. K. Mohanty, F. A. Parpia, and E. Clementi, in Modern Techniques in Computational Chemistry MOTECC-91, edited by E. Clementi (ESCOM, Leiden, 1991), p. 167;
-
(1991)
Modern Techniques in Computational Chemistry MOTECC-91
, pp. 167
-
-
Mohanty, A.K.1
Parpia, F.A.2
Clementi, E.3
-
27
-
-
0002525407
-
-
J. Almlöf, K. Faegri, Jr., and H. H. Grelland, Chem. Phys. Lett. 114, 53 (1985). See also: J. Almlöf and O. Gropen, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1996), Vol. 8, p. 203.
-
(1985)
Chem. Phys. Lett.
, vol.114
, pp. 53
-
-
Almlöf, J.1
Faegri Jr., K.2
Grelland, H.H.3
-
28
-
-
19944422170
-
-
edited by K. B. Lipkowitz and D. B. Boyd VCH, New York
-
J. Almlöf, K. Faegri, Jr., and H. H. Grelland, Chem. Phys. Lett. 114, 53 (1985). See also: J. Almlöf and O. Gropen, in Reviews in Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1996), Vol. 8, p. 203.
-
(1996)
Reviews in Computational Chemistry
, vol.8
, pp. 203
-
-
Almlöf, J.1
Gropen, O.2
-
32
-
-
0343532153
-
-
M. Urban, J. Noga, S. J. Cole, and R. J. Bartlett, J. Chem. Phys. 83, 4041 (1985).
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 4041
-
-
Urban, M.1
Noga, J.2
Cole, S.J.3
Bartlett, R.J.4
-
33
-
-
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
-
38
-
-
0000555414
-
-
(b) V. Kellö, A. J. Sadlej, and K. Faegri, Jr., Phys. Rev. A 47, 1715 (1993).
-
(1993)
Phys. Rev. A
, vol.47
, pp. 1715
-
-
Kellö, V.1
Sadlej, A.J.2
Faegri Jr., K.3
-
41
-
-
5844263186
-
-
edited by I. P. Grant, B. Gyorffy, and S. Wilson Plenum, New York
-
K. G. Dyall, P. R. Taylor, K. Faegri, Jr., P. R. Taylor, in The Effects of Relativity in Atoms, Molecules, and the Solid State, edited by I. P. Grant, B. Gyorffy, and S. Wilson (Plenum, New York, 1990), p. 167.
-
(1990)
The Effects of Relativity in Atoms, Molecules, and the Solid State
, pp. 167
-
-
Dyall, K.G.1
Taylor, P.R.2
Faegri Jr., K.3
Taylor, P.R.4
-
42
-
-
36448999353
-
-
K. G. Dyall, P. R. Taylor, K. Faegri, Jr., and H. Patridge, J. Chem. Phys. 95, 2583 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 2583
-
-
Dyall, K.G.1
Taylor, P.R.2
Faegri Jr., K.3
Patridge, H.4
-
43
-
-
3342885100
-
-
North-Holland, Amsterdam
-
A. Messiah, Quantum Mechanics (North-Holland, Amsterdam, 1969), Vol. II, p. 943.
-
(1969)
Quantum Mechanics
, vol.2
, pp. 943
-
-
Messiah, A.1
-
49
-
-
1542478809
-
-
(b) A. J. Sadlej, Theor. Chim. Acta 79, 123 (1991). Polarized basis sets for nonrelativistic calculations for O and S. Certain misprints in the tabulated basis set data are corrected in: K. Andersson and A. J. Sadlej, Phys. Rev. A 46, 2356 (1992).
-
(1991)
Theor. Chim. Acta
, vol.79
, pp. 123
-
-
Sadlej, A.J.1
-
50
-
-
0001079031
-
-
(b) A. J. Sadlej, Theor. Chim. Acta 79, 123 (1991). Polarized basis sets for nonrelativistic calculations for O and S. Certain misprints in the tabulated basis set data are corrected in: K. Andersson and A. J. Sadlej, Phys. Rev. A 46, 2356 (1992).
-
(1992)
Phys. Rev. A
, vol.46
, pp. 2356
-
-
Andersson, K.1
Sadlej, A.J.2
-
51
-
-
0343223674
-
-
A. J. Sadlej, Theor. Chim. Acta 81, 339 (1991). Polarized basis set for nonrelativistic calculations for Sn.
-
(1991)
Theor. Chim. Acta
, vol.81
, pp. 339
-
-
Sadlej, A.J.1
-
54
-
-
85034275861
-
-
Network address: http://www.qch.fns.uniba.sk/NpPol_bases.txt. All basis set data are stored in the format suitable for the integral code Seward.
-
-
-
-
55
-
-
77956744340
-
-
P. Pyykkö, Adv. Quantum Chem. 11, 353 (1978); P. Pyykkö, Chem. Rev. 88, 563 (1988).
-
(1978)
Adv. Quantum Chem.
, vol.11
, pp. 353
-
-
Pyykkö, P.1
-
56
-
-
0038218089
-
-
P. Pyykkö, Adv. Quantum Chem. 11, 353 (1978); P. Pyykkö, Chem. Rev. 88, 563 (1988).
-
(1988)
Chem. Rev.
, vol.88
, pp. 563
-
-
Pyykkö, P.1
-
57
-
-
11744263664
-
-
V. Kellö and A. J. Sadlej, Theor. Chim. Acta 83, 35 (1992). Polarized basis set for nonrelativistic calculations for Pb.
-
(1992)
Theor. Chim. Acta
, vol.83
, pp. 35
-
-
Kellö, V.1
Sadlej, A.J.2
-
62
-
-
0004018824
-
-
University of Lund, Lund Sweden and IBM Sweden
-
K. Andersson, M. R. A. Blomberg, M. Fülscher, V. Kellö, R. Lindh, P.-Å. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban, and P.-O. Widmark, MOLCAS System of Quantum Chemistry Programs, Release 3. Theoretical Chemistry, University of Lund, Lund Sweden and IBM Sweden (1994)
-
(1994)
MOLCAS System of Quantum Chemistry Programs, Release 3. Theoretical Chemistry
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.3
Kellö, V.4
Lindh, R.5
Malmqvist, P.-Å.6
Noga, J.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Siegbahn, P.E.M.11
Urban, M.12
Widmark, P.-O.13
-
63
-
-
0000217083
-
-
T. J. Lee, A. P. Rendell, and J. E. Rice, TITAN, a set of electronic structure programs included in the MOLCAS System. See also: T. J. Lee, A. P. Rendell, and P. R. Taylor, J. Phys. Chem. 94, 5463 (1990).
-
TITAN, a Set of Electronic Structure Programs Included in the MOLCAS System
-
-
Lee, T.J.1
Rendell, A.P.2
Rice, J.E.3
-
64
-
-
0000217083
-
-
T. J. Lee, A. P. Rendell, and J. E. Rice, TITAN, a set of electronic structure programs included in the MOLCAS System. See also: T. J. Lee, A. P. Rendell, and P. R. Taylor, J. Phys. Chem. 94, 5463 (1990).
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5463
-
-
Lee, T.J.1
Rendell, A.P.2
Taylor, P.R.3
-
66
-
-
11744260035
-
-
T. Saue, K. Faegri, Jr., T. Helgaker, and O. Gropen, Mol. Phys. 91, 927 (1997).
-
(1997)
Mol. Phys.
, vol.91
, pp. 927
-
-
Saue, T.1
Faegri Jr., K.2
Helgaker, T.3
Gropen, O.4
-
67
-
-
0003395029
-
-
Molecular Constants Springer, Berlin
-
A survey of the dipole moment data can be found in Landolt-Börnstein, Numerical data and Functional relationships in Science and Technology, New Series, Vol. 14, Molecular Constants (Springer, Berlin, 1982).
-
(1982)
Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, New Series
, vol.14
-
-
-
69
-
-
11744384753
-
-
J. Hoff, F. J. Lovas, E. Tiemann, and T. Türring, J. Chem. Phys. 53, 2736 (1970).
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 2736
-
-
Hoff, J.1
Lovas, F.J.2
Tiemann, E.3
Türring, T.4
|