-
32
-
-
4243366399
-
-
J. Olsen, P. Jørgensen, H. Koch, A. Balkova and R. J. Bartlett, J. Chem. Phys. 104, 8007 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8007
-
-
Olsen, J.1
Jørgensen, P.2
Koch, H.3
Balkova, A.4
Bartlett, R.J.5
-
56
-
-
0000570439
-
-
J. Chem. Phys. 97, 8821 (1992) (erratum)
-
W. Kutzelnigg and J. D. Morgan III, J. Chem. Phys. 96, 4484 (1992); J. Chem. Phys. 97, 8821 (1992) (erratum).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4484
-
-
Kutzelnigg, W.1
Morgan, J.D.2
-
63
-
-
36149020283
-
-
Meth. Comput. Phys. 2, 241 (1963)
-
C. Schwartz, Phys. Rev. 126, 1015 (1962); Meth. Comput. Phys. 2, 241 (1963).
-
(1962)
Phys. Rev.
, vol.126
, pp. 1015
-
-
Schwartz, C.1
-
65
-
-
0011993973
-
-
W. Klopper, K. L. Bak, P. Jørgensen, J. Olsen and T. Helgaker, J. Phys. B: At. Mol. Opt. Phys. 32, R103 (1999).
-
(1999)
J. Phys. B: At. Mol. Opt. Phys.
, vol.32
, pp. R103
-
-
Klopper, W.1
Bak, K.L.2
Jørgensen, P.3
Olsen, J.4
Helgaker, T.5
-
84
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
94
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen and A. K. Wilson, Chem. Phys. Lett. 286, 243 (1998).
-
(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
-
97
-
-
0031285824
-
-
A. Halkier, H. Koch, P. Jørgensen, O. Christiansen, I. M. Beck Nielsen and T. Helgaker, Theor. Chem. Acc. 97, 150 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 150
-
-
Halkier, A.1
Koch, H.2
Jørgensen, P.3
Christiansen, O.4
Beck Nielsen, I.M.5
Helgaker, T.6
-
98
-
-
0000098578
-
-
A. Halkier, W. Klopper, T. Helgaker, P. Jørgensen and P. R. Taylor, J. Chem. Phys. III, 9157 (1999).
-
(1999)
J. Chem. Phys.
, vol.3
, pp. 9157
-
-
Halkier, A.1
Klopper, W.2
Helgaker, T.3
Jørgensen, P.4
Taylor, P.R.5
-
103
-
-
0038555796
-
-
R. McWeeny, Nature 166, 21 (1950).
-
(1950)
Nature
, vol.166
, pp. 21
-
-
McWeeny, R.1
-
106
-
-
36549098458
-
-
J. Chem. Phys. 89, 1540 (1988)
-
S. Obara and A. Saika, J. Chem. Phys. 84, 3963 (1986); J. Chem. Phys. 89, 1540 (1988).
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 3963
-
-
Obara, S.1
Saika, A.2
-
124
-
-
24244438779
-
-
C. A. White, B. G. Johnson, P. M. W. Gill and M. Head-Gordon, Chem. Phys. Lett. 230, 8 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 8
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
134
-
-
0002522390
-
-
J. Chem. Phys 97, 4309 (1992)
-
H.-Q. Ding, N. Karasawa and W. A. Goddard III, Chem. Phys. Lett. 196, 6 (1992); J. Chem. Phys 97, 4309 (1992).
-
(1992)
Chem. Phys. Lett.
, vol.196
, pp. 6
-
-
Ding, H.-Q.1
Karasawa, N.2
Goddard, W.A.3
-
135
-
-
0030567425
-
-
C. A. White, B. G. Johnson, P. M. W. Gill and M. Head-Gordon, Chem. Phys. Lett. 253, 268 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.253
, pp. 268
-
-
White, C.A.1
Johnson, B.G.2
Gill, P.M.W.3
Head-Gordon, M.4
-
140
-
-
84986524957
-
-
J. Comput. Chem. 3, 556 (1982)
-
P. Pulay, Chem. Phys. Lett. 73, 393 (1980); J. Comput. Chem. 3, 556 (1982).
-
(1980)
Chem. Phys. Lett.
, vol.73
, pp. 393
-
-
Pulay, P.1
-
142
-
-
0003622711
-
-
Springer-Verlag
-
J. Almlöf, in B. O. Roos (ed.), Lecture Notes in Quantum Chemistry II, Lecture Notes in Chemistry Vol. 64, Springer-Verlag, 1994, p. 1.
-
(1994)
Lecture Notes in Quantum Chemistry II, Lecture Notes in Chemistry
, vol.64
, pp. 1
-
-
Almlöf, J.1
Roos, B.O.2
-
155
-
-
34250699732
-
-
P. E. M. Siegbahn, J. Almlöf, A. Heiberg and B. O. Roos, J. Chem. Phys. 74, 2384 (1981).
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 2384
-
-
Siegbahn, P.E.M.1
Almlöf, J.2
Heiberg, A.3
Roos, B.O.4
-
165
-
-
0005079653
-
-
J. Olsen, B. O. Roos, P. Jørgensen and H. J. Aa. Jensen, J. Chem. Phys. 89, 2185 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 2185
-
-
Olsen, J.1
Roos, B.O.2
Jørgensen, P.3
Jensen, H.J.A.4
-
180
-
-
0005079653
-
-
J. Olsen, B. O. Roos, P. Jørgensen and H. J. Aa. Jensen, J. Chem. Phys. 89, 2185 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 2185
-
-
Olsen, J.1
Roos, B.O.2
Jørgensen, P.3
Jensen, H.J.A.4
-
181
-
-
11744252594
-
-
H. J. Aa. Jensen, P. Jørgensen, T. Helgaker and J. Olsen, Chem. Phys. Lett. 162, 355 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 355
-
-
Jensen, H.J.A.1
Jørgensen, P.2
Helgaker, T.3
Olsen, J.4
-
184
-
-
4243124919
-
-
J. Simons, P. Jørgensen, H. Taylor and J. Ozment, J. Phys. Chem. 87, 2745 (1983).
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 2745
-
-
Simons, J.1
Jørgensen, P.2
Taylor, H.3
Ozment, J.4
-
187
-
-
34250699732
-
-
P. E. M. Siegbahn, J. Almlöf, A. Heiberg and B. O. Roos, J. Chem. Phys. 74, 2384 (1981).
-
(1981)
J. Chem. Phys.
, vol.74
, pp. 2384
-
-
Siegbahn, P.E.M.1
Almlöf, J.2
Heiberg, A.3
Roos, B.O.4
-
195
-
-
0001392512
-
-
Adv. Chem. Phys. 14, 35 (1969)
-
J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 35 (1969).
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 4256
-
-
Čížek, J.1
-
196
-
-
0011962409
-
-
Wiley
-
J. Paldus and J. Čížek, in D. W. Smith and W. B. McRae (eds), Energy, Structure and Reactivity, Wiley, 1973, p. 198.
-
(1973)
Energy, Structure and Reactivity
, pp. 198
-
-
Paldus, J.1
Čížek, J.2
Smith, D.W.3
McRae, W.B.4
-
199
-
-
36549092221
-
-
Chem. Phys. 89, 3401 (1988) (erratum)
-
J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987); Chem. Phys. 89, 3401 (1988) (erratum).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 7041
-
-
Noga, J.1
Bartlett, R.J.2
-
203
-
-
4243366399
-
-
J. Olsen, P. Jørgensen, H. Koch, A. Balkova and R. J. Bartlett, J. Chem. Phys. 104, 8007 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8007
-
-
Olsen, J.1
Jørgensen, P.2
Koch, H.3
Balkova, A.4
Bartlett, R.J.5
-
205
-
-
84986524957
-
-
J. Comput. Chem. 3, 556 (1982)
-
P. Pulay, Chem. Phys. Lett. 73, 393 (1980); J. Comput. Chem. 3, 556 (1982).
-
(1980)
Chem. Phys. Lett.
, vol.73
, pp. 393
-
-
Pulay, P.1
-
208
-
-
36549104446
-
-
H. Koch, H. J. Aa. Jensen, P. Jørgensen, T. Helgaker, G. E. Scuseria and H. F. Schaefer III, J. Chem. Phys. 92, 4924 (1990).
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 4924
-
-
Koch, H.1
Jensen, H.J.A.2
Jørgensen, P.3
Helgaker, T.4
Scuseria, G.E.5
Schaefer, H.F.6
-
212
-
-
0001212624
-
-
H. Koch, H. J. Aa. Jensen, P. Jørgensen and T. Helgaker, J. Chem. Phys. 93, 3345 (1990).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 3345
-
-
Koch, H.1
Jensen, H.J.A.2
Jørgensen, P.3
Helgaker, T.4
-
215
-
-
85103023438
-
-
private communication
-
H. Koch, private communication.
-
-
-
Koch, H.1
-
216
-
-
0001016677
-
-
H. Koch, O. Christiansen, R. Kobayashi, P. Jørgensen and T. Helgaker, Chem. Phys. Lett. 228, 233 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.228
, pp. 233
-
-
Koch, H.1
Christiansen, O.2
Kobayashi, R.3
Jørgensen, P.4
Helgaker, T.5
-
220
-
-
0001309308
-
-
H. Koch, A. Sánchez de Merás, T. Helgaker and O. Christiansen, J. Chem. Phys. 104, 4157 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 4157
-
-
Koch, H.1
Sánchez De Merás, A.2
Helgaker, T.3
Christiansen, O.4
-
222
-
-
0000458644
-
-
C. D. Sherrill, A. I. Krylov, E. F. C. Byrd and M. Head-Gordon, J. Chem. Phys. 109, 4171 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 4171
-
-
Sherrill, C.D.1
Krylov, A.I.2
Byrd, E.F.C.3
Head-Gordon, M.4
-
225
-
-
0001126914
-
-
N. C. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari and G. W. Trucks, Chem. Phys. Lett. 164, 185 (1989).
-
(1989)
Chem. Phys. Lett.
, vol.164
, pp. 185
-
-
Handy, N.C.1
Pople, J.A.2
Head-Gordon, M.3
Raghavachari, K.4
Trucks, G.W.5
-
230
-
-
36449001370
-
-
J. Chem. Phys. 112, 3106 (2000) (erratum)
-
P. J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993); J. Chem. Phys. 112, 3106 (2000) (erratum).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
233
-
-
0003973738
-
-
Plenum
-
T. Helgaker and P. Jørgensen, in S. Wilson and G. H. F. Diercksen (eds), Methods in Computational Molecular Physics, Plenum, 1992, p. 353.
-
(1992)
Methods in Computational Molecular Physics
, pp. 353
-
-
Helgaker, T.1
Jørgensen, P.2
Wilson, S.3
Diercksen, G.H.F.4
-
235
-
-
36149019045
-
-
Phys. Rev. 100, 36 (1955)
-
K. A. Brueckner, Phys. Rev. 97, 1353 (1955); Phys. Rev. 100, 36 (1955).
-
(1955)
Phys. Rev.
, vol.97
, pp. 1353
-
-
Brueckner, K.A.1
-
246
-
-
0000119421
-
-
J. Olsen, O. Christiansen, H. Koch and P. Jørgensen, J. Chem. Phys. 105, 5082 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5082
-
-
Olsen, J.1
Christiansen, O.2
Koch, H.3
Jørgensen, P.4
-
247
-
-
16144366604
-
-
O. Christiansen, J. Olsen, P. Jørgensen, H. Koch and P.-Å. Malmqvist, Chem. Phys. Lett. 261, 369 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 369
-
-
Christiansen, O.1
Olsen, J.2
Jørgensen, P.3
Koch, H.4
Malmqvist, P.-Å.5
-
249
-
-
4243366399
-
-
J. Olsen, P. Jørgensen, H. Koch, A. Balkova and R. J. Bartlett, J. Chem. Phys. 104, 8007 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 8007
-
-
Olsen, J.1
Jørgensen, P.2
Koch, H.3
Balkova, A.4
Bartlett, R.J.5
-
251
-
-
0000298163
-
-
H. Koch, O. Christiansen, P. Jørgensen, A. M. Sanchez de Merás and T. Helgaker, J. Chem. Phys. 106, 1808 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1808
-
-
Koch, H.1
Christiansen, O.2
Jørgensen, P.3
Sanchez De Merás, A.M.4
Helgaker, T.5
-
252
-
-
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
-
253
-
-
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
-
254
-
-
0000076779
-
-
B. O. Roos, P. Linse, P. E. M. Siegbahn and M. R. A. Blomberg, Chem. Phys. 66, 197 (1982).
-
(1982)
Chem. Phys.
, vol.66
, pp. 197
-
-
Roos, B.O.1
Linse, P.2
Siegbahn, P.E.M.3
Blomberg, M.R.A.4
-
257
-
-
0013004607
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej and K. Wolinski, 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
Wolinski, K.5
-
260
-
-
85103010257
-
-
private communication
-
P.-Å. Malmqvist, private communication.
-
-
-
Malmqvist, P.-Å.1
-
261
-
-
0002189364
-
-
Wiley
-
T. H. Dunning Jr, K. A. Peterson and D. E. Woon, in P. v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III and P. R. Schreiner (eds), Encyclopedia of Computational Chemistry, Vol. 1, Wiley, 1998, p 88.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.1
, pp. 88
-
-
Dunning, T.H.1
Peterson, K.A.2
Woon, D.E.3
Schleyer, P.R.4
Allinger, N.L.5
Clark, T.6
Gasteiger, J.7
Kollman, P.A.8
Schaefer, H.F.9
Schreiner, P.R.10
-
262
-
-
0001619261
-
-
T. Helgaker, J. Gauss, P. Jørgensen and J. Olsen, J. Chem. Phys. 106, 6430 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 6430
-
-
Helgaker, T.1
Gauss, J.2
Jørgensen, P.3
Olsen, J.4
-
264
-
-
0031206008
-
-
A. Halkier, P. Jørgensen, J. Gauss and T. Helgaker, Chem. Phys. Lett. 274, 235 (1997).
-
(1997)
Chem. Phys. Lett.
, vol.274
, pp. 235
-
-
Halkier, A.1
Jørgensen, P.2
Gauss, J.3
Helgaker, T.4
-
269
-
-
0001222210
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper and J. Olsen, Chem. Phys. Lett. 302, 437 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.302
, pp. 437
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Olsen, J.5
-
271
-
-
0007164775
-
-
J. Chem. Phys. 105, 6490 (1996)
-
O. L. Polyansky, P. Jensen and J. Tennyson, J. Chem. Phys. 101, 7651 (1994); J. Chem. Phys. 105, 6490 (1996).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 7651
-
-
Polyansky, O.L.1
Jensen, P.2
Tennyson, J.3
-
274
-
-
0042691252
-
-
T. J. Lee, R. B. Remington, Y. Yamaguchi and H. F. Schaefer III, J. Chem. Phys. 89, 408 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 408
-
-
Lee, T.J.1
Remington, R.B.2
Yamaguchi, Y.3
Schaefer, H.F.4
-
275
-
-
33846021671
-
-
R. Fantoni, K. van Helvoort, W. Knippers and J. Reuss, Chem. Phys. 110, 1 (1986).
-
(1986)
Chem. Phys.
, vol.110
, pp. 1
-
-
Fantoni, R.1
Van Helvoort, K.2
Knippers, W.3
Reuss, J.4
-
276
-
-
0003886158
-
-
Kluwer
-
W. D. Allen, A. L. L. East and A. G. Császár, in J. Laane, M. Dakkouri, B. van der Veken and H. Ober-hammer (eds), Structures and Conformations of Non-Rigid Molecules, Kluwer, 1993, p. 343.
-
(1993)
Structures and Conformations of Non-Rigid Molecules
, pp. 343
-
-
Allen, W.D.1
East, A.L.L.2
Császár, A.G.3
Laane, J.4
Dakkouri, M.5
Van Der Veken, B.6
Ober-hammer, H.7
|