-
3
-
-
3643114912
-
-
R. D. Amos, J. S. Andrews, N. C. Handy, and P. J. Knowles, Chem. Phys. Lett. 185, 256 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.185
, pp. 256
-
-
Amos, R.D.1
Andrews, J.S.2
Handy, N.C.3
Knowles, P.J.4
-
4
-
-
0001319487
-
-
P. J. Knowles, J. S. Andrews, R. D. Amos, N. C. Handy, and J. A. Pople, Chem. Phys. Lett. 186, 130 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.186
, pp. 130
-
-
Knowles, P.J.1
Andrews, J.S.2
Amos, R.D.3
Handy, N.C.4
Pople, J.A.5
-
5
-
-
0002660075
-
-
W. J. Lauderdale, J. F. Stanton, J. Gauss, J. D. Watts, and R. J. Bartlett, Chem. Phys. Lett. 187, 21 (1991).
-
(1991)
Chem. Phys. Lett.
, vol.187
, pp. 21
-
-
Lauderdale, W.J.1
Stanton, J.F.2
Gauss, J.3
Watts, J.D.4
Bartlett, R.J.5
-
11
-
-
0000772191
-
-
D. J. Tozer, N. C. Handy, R. D. Amos, J. A. Pople, R. H. Nobes, Y. Xie, and H. F. Schaefer, Mol. Phys. 79, 777 (1993).
-
(1993)
Mol. Phys.
, vol.79
, pp. 777
-
-
Tozer, D.J.1
Handy, N.C.2
Amos, R.D.3
Pople, J.A.4
Nobes, R.H.5
Xie, Y.6
Schaefer, H.F.7
-
12
-
-
36449005092
-
-
T. J. Lee, A. P. Rendell, K. Dyall, and D. Jayatilaka, J. Chem. Phys. 100, 7400 (1993).
-
(1993)
J. Chem. Phys.
, vol.100
, pp. 7400
-
-
Lee, T.J.1
Rendell, A.P.2
Dyall, K.3
Jayatilaka, D.4
-
13
-
-
0001307076
-
-
R. H. Nobes, J. A. Pople, L. Radom, N. C. Handy, and P. J. Knowles, Chem. Phys. Lett. 138, 481 (1987).
-
(1987)
Chem. Phys. Lett.
, vol.138
, pp. 481
-
-
Nobes, R.H.1
Pople, J.A.2
Radom, L.3
Handy, N.C.4
Knowles, P.J.5
-
16
-
-
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
-
23
-
-
0013004607
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadley, 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
Sadley, A.J.4
Wolinski, K.5
-
25
-
-
0002438497
-
-
Multiconfigurational Second-order Perturbation Theory, edited by D. R. Yarkony World Scientific, New York
-
K. Andersson and B. O. Roos, in Multiconfigurational Second-order Perturbation Theory, Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, New York, 1994), Vol. 1.
-
(1994)
Modern Electronic Structure Theory
, vol.1
-
-
Andersson, K.1
Roos, B.O.2
-
26
-
-
0004035344
-
-
Theoretical Studies of the Electronic Spectra of Organic Molecules, edited by Stephen R. Langhoff Kluwer, Dordrecht, Netherlands
-
B. O. Roos, M. P. Fülscher, P.-Å. Malmqvist, L. Serrano-Andrés, and M. Merchán, in Theoretical Studies of the Electronic Spectra of Organic Molecules, Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by Stephen R. Langhoff (Kluwer, Dordrecht, Netherlands, 1994).
-
(1994)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
-
-
Roos, B.O.1
Fülscher, M.P.2
Malmqvist, P.-Å.3
Serrano-Andrés, L.4
Merchán, M.5
-
27
-
-
49149090180
-
-
B. O. Roos, K. Andersson, M. P. Fülscher, P.-Å. Malmqvist, L. Serrano-Andrés, K. Pierloot, and M. Merchán, Adv. Chem. Phys. 93, 219 (1996).
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 219
-
-
Roos, B.O.1
Andersson, K.2
Fülscher, M.P.3
Malmqvist, P.-Å.4
Serrano-Andrés, L.5
Pierloot, K.6
Merchán, M.7
-
43
-
-
0004175321
-
-
Maruzen, Tokyo
-
E. Ishiguro M. Kotani, A. Amemiya, and T. Kimura, in Tables of Molecular Integrals (Maruzen, Tokyo, 1963).
-
(1963)
Tables of Molecular Integrals
-
-
Ishiguro, E.1
Kotani, M.2
Amemiya, A.3
Kimura, T.4
-
44
-
-
0003394271
-
-
with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A. J. Stone, R. Tarroni, and T. Thorsteinsson.
-
MOLPRO is a Package of ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
-
52
-
-
0032500484
-
-
L. Serrano-Andrés, M. Merchán, M. Rubio, and B. O. Roos, Chem. Phys. Lett. 295, 195 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.295
, pp. 195
-
-
Serrano-Andrés, L.1
Merchán, M.2
Rubio, M.3
Roos, B.O.4
-
55
-
-
0000845448
-
-
S. J. A. van Gisbergen, A. Rosa, G. Ricciardi, and E. J. Baerends, J. Chem. Phys. 111, 2499 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2499
-
-
Van Gisbergen, S.J.A.1
Rosa, A.2
Ricciardi, G.3
Baerends, E.J.4
-
59
-
-
0038910690
-
-
K. Pierloot, B. Dumez, P.-O. Widmark, and B. O. Roos, Theor. Chim. Acta 90, 87 (1995).
-
(1995)
Theor. Chim. Acta
, vol.90
, pp. 87
-
-
Pierloot, K.1
Dumez, B.2
Widmark, P.-O.3
Roos, B.O.4
-
60
-
-
0002972926
-
-
L. Edwards, D. H. Dolphin, M. Gouterman, and A. D. Adler, J. Mol. Spectrosc. 38, 16 (1971).
-
(1971)
J. Mol. Spectrosc.
, vol.38
, pp. 16
-
-
Edwards, L.1
Dolphin, D.H.2
Gouterman, M.3
Adler, A.D.4
-
65
-
-
0031493827
-
-
C. Angeli, R. Cimiraglia, M. Persico, and A. Toniolo, Theor. Chim. Acta 98, 57 (1997).
-
(1997)
Theor. Chim. Acta
, vol.98
, pp. 57
-
-
Angeli, C.1
Cimiraglia, R.2
Persico, M.3
Toniolo, A.4
-
67
-
-
0004149831
-
-
Wolfram Media/Cambridge University Press, Champaign/Melbourne
-
S. Wolfram, in The Mathematica Book, 3rd ed. (Wolfram Media/Cambridge University Press, Champaign/Melbourne, 1996).
-
(1996)
The Mathematica Book, 3rd Ed.
-
-
Wolfram, S.1
|