-
1
-
-
21344458504
-
-
edited by J. Prigogöne and S. A. Rice Wiley, NY
-
P. E. M. Siegbahn, Adv. Chem. Phys., edited by J. Prigogöne and S. A. Rice (Wiley, NY, 1996), Vol. XCIII, p. 333.
-
(1996)
Adv. Chem. Phys.
, vol.93
, pp. 333
-
-
Siegbahn, P.E.M.1
-
2
-
-
33645912838
-
-
K. Andersson, B. O. Roos, P.-Å. Malmqvist, and P.-O. Widmark, Chem. Phys. Lett. 230, 391 (1994).
-
(1994)
Chem. Phys. Lett.
, vol.230
, pp. 391
-
-
Andersson, K.1
Roos, B.O.2
Malmqvist, P.-Å.3
Widmark, P.-O.4
-
7
-
-
34250817103
-
-
J. Chem. Phys. 98, 1372 (1993);
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1372
-
-
-
8
-
-
0000189651
-
-
J. Chem. Phys. 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
-
11
-
-
33745181247
-
-
M. C. Holthausen, C. Heinemann, H. H. Cornehl, W. Koch, and H. Schwarz, J. Chem. Phys. 102, 4931 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4931
-
-
Holthausen, M.C.1
Heinemann, C.2
Cornehl, H.H.3
Koch, W.4
Schwarz, H.5
-
16
-
-
36549094943
-
-
J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
24
-
-
0003394271
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, and P. R. Taylor.
-
MOLPRO Is a Package of Ab Initio Programs
-
-
Werner, H.-J.1
Knowles, P.J.2
Almlöf, J.3
Amos, R.D.4
Deegan, M.J.O.5
Elbert, S.T.6
Hampel, C.7
Meyer, W.8
Peterson, K.9
Pitzer, R.10
Stone, A.J.11
Taylor, P.R.12
-
25
-
-
0002745201
-
-
Coupled-cluster treatments, C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992), and references therein.
-
(1992)
Chem. Phys. Lett.
, vol.190
, pp. 1
-
-
Hampel, C.1
Peterson, K.2
Werner, H.-J.3
-
26
-
-
36449001370
-
-
The program to compute the perturbative triples corrections has been developed by M. J. O. Deegan and P. J. Knowles (1992). Open-shell coupled-cluster, P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
30
-
-
0003754095
-
-
edited by P. Ziesche and H. Eischrig Akademie, Berlin
-
J. P. Perdew, in Electronic Structure of Solids, edited by P. Ziesche and H. Eischrig (Akademie, Berlin, 1991);
-
(1991)
Electronic Structure of Solids
-
-
Perdew, J.P.1
-
31
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
32
-
-
0000463330
-
-
L. G. M. Pettersson, C. W. Bauschlicher, Jr., S. R. Langhoff, and H. Partridge, J. Chem. Phys. 87, 481 (1987).
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 481
-
-
Pettersson, L.G.M.1
Bauschlicher Jr., C.W.2
Langhoff, S.R.3
Partridge, H.4
-
33
-
-
36549099730
-
-
C. W. Bauschlicher, Jr., S. R. Langhoff, H. Partridge, and L. A. Barnes, J. Chem. Phys. 91, 2399 (1989).
-
(1989)
J. Chem. Phys.
, vol.91
, pp. 2399
-
-
Bauschlicher Jr., C.W.1
Langhoff, S.R.2
Partridge, H.3
Barnes, L.A.4
-
34
-
-
0000912665
-
-
C. W. Bauschlicher, Jr., H. Partridge, J. A. Sheehy, S. R. Langhoff, and M. Rosi, J. Phys. Chem. 96, 6969 (1992).
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 6969
-
-
Bauschlicher Jr., C.W.1
Partridge, H.2
Sheehy, J.A.3
Langhoff, S.R.4
Rosi, M.5
-
35
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, Pennsylvania
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Peterson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. R.R. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzales, and J. A. Pople, GAUSSIAN 94, Revision A.1, Gaussian, Inc., Pittsburgh, Pennsylvania, 1995.
-
(1995)
GAUSSIAN 94, Revision A.1
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Peterson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.R.R.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
-
39
-
-
0000994840
-
-
C. W. Bauschlicher, Jr., S. P. Walch, and H. Partridge, J. Chem. Phys. 76, 1033 (1982).
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 1033
-
-
Bauschlicher Jr., C.W.1
Walch, S.P.2
Partridge, H.3
-
41
-
-
0342290612
-
-
U.S. Department of Commerce, Natl. Bur. Stand. U.S. GPO, Washington, D.C.
-
C. E. Moore, Atomic Energy Levels, U.S. Department of Commerce, Natl. Bur. Stand. (U.S. GPO, Washington, D.C., 1952).
-
(1952)
Atomic Energy Levels
-
-
Moore, C.E.1
-
44
-
-
0041401966
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
|