-
3
-
-
36449002088
-
-
P. Schwerdtfeger, Th. Fischer, M. Dolg, G. Igel-Mann, A. Nicklass, H. Stoll, and A. Haaland J. Chem. Phys. 102 1995 2050
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2050
-
-
Schwerdtfeger, P.1
Fischer, Th.2
Dolg, M.3
Igel-Mann, G.4
Nicklass, A.5
Stoll, H.6
Haaland, A.7
-
4
-
-
0001218546
-
-
T. Leininger, A. Nicklass, H. Stoll, M. Dolg, and P. Schwerdtfeger J. Chem. Phys. 105 1996 1052
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1052
-
-
Leininger, T.1
Nicklass, A.2
Stoll, H.3
Dolg, M.4
Schwerdtfeger, P.5
-
5
-
-
0034344168
-
-
B. Metz, M. Schweizer, H. Stoll, M. Dolg, and W. Liu Theor. Chem. Acc. 104 2000 22
-
(2000)
Theor. Chem. Acc.
, vol.104
, pp. 22
-
-
Metz, B.1
Schweizer, M.2
Stoll, H.3
Dolg, M.4
Liu, W.5
-
13
-
-
0346521279
-
-
K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg J. Chem. Phys. 119 2003 11113
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 11113
-
-
Peterson, K.A.1
Figgen, D.2
Goll, E.3
Stoll, H.4
Dolg, M.5
-
17
-
-
11744322674
-
-
D. Andrae, U. Häussermann, M. Dolg, H. Stoll, and H. Preuss Theor. Chim. Acta 77 1990 123
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Häussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
18
-
-
7744222524
-
-
GRASP: Atomic Numerical MCDHF Program Package: K.G. Dyall, I.P. Grant, C.T. Johnson, F.A. Parpia, and E.P. Plummer Comput. Phys. Commun. 55 1989 425
-
(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
-
22
-
-
0003392735
-
-
Circular 467, National Bureau of Standards, Washington, DC
-
C.E. Moore, Atomic Energy Levels, vols. 2, 3, Circular 467, National Bureau of Standards, Washington, DC, 1958
-
(1958)
Atomic Energy Levels
, vol.2-3
-
-
Moore, C.E.1
-
23
-
-
36549103818
-
-
M.M. Hurley, L.F. Pacios, P.A. Christiansen, R.B. Ross, and W.C. Ermler J. Chem. Phys. 84 1986 6840
-
(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
-
24
-
-
36549096954
-
-
L.A. LaJohn, P.A. Christiansen, R.B. Ross, T. Atashroo, and W.C. Ermler J. Chem. Phys. 87 1987 2812
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 2812
-
-
Lajohn, L.A.1
Christiansen, P.A.2
Ross, R.B.3
Atashroo, T.4
Ermler, W.C.5
-
25
-
-
0000352837
-
-
R.B. Ross, J.M. Powers, T. Atashroo, W.C. Ermler, L.A. LaJohn, and P.A. Christiansen J. Chem. Phys. 93 1990 6654
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 6654
-
-
Ross, R.B.1
Powers, J.M.2
Atashroo, T.3
Ermler, W.C.4
Lajohn, L.A.5
Christiansen, P.A.6
-
26
-
-
1542303125
-
-
is a package of ab initio programs designed by H.-J. Werner and P.J. Knowles.
-
MOLPRO (Version 2002.6) is a package of ab initio programs designed by H.-J. Werner and P.J. Knowles. The authors are 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, P.J. Knowles, 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, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, H.-J. Werner
-
MOLPRO (Version 2002.6)
-
-
Amos, R.D.1
Bernhardsson, A.2
Berning, A.3
Celani, P.4
Cooper, D.L.5
Deegan, M.J.O.6
Dobbyn, A.J.7
Eckert, F.8
Hampel, C.9
Hetzer, G.10
Knowles, P.J.11
Korona, T.12
Lindh, R.13
Lloyd, A.W.14
McNicholas, S.J.15
Manby, F.R.16
Meyer, W.17
Mura, M.E.18
Nicklaß, A.19
Palmieri, P.20
Pitzer, R.21
Rauhut, G.22
Schütz, M.23
Schumann, U.24
Stoll, H.25
Stone, A.J.26
Tarroni, R.27
Thorsteinsson, T.28
Werner, H.-J.29
more..
-
35
-
-
0034634787
-
-
A. Berning, M. Schweizer, H.-J. Werner, P.J. Knowles, and P. Palmieri Mol. Phys. 98 2000 1823
-
(2000)
Mol. Phys.
, vol.98
, pp. 1823
-
-
Berning, A.1
Schweizer, M.2
Werner, H.-J.3
Knowles, P.J.4
Palmieri, P.5
-
36
-
-
0003498752
-
-
release 5.8
-
COLUMBUS, an ab initio electronic structure program, written by H. Lischka, R. Shepard, I. Shavitt, R.M. Pitzer, M. Dallos, Th. Müller, P.G. Szalay, F.B. Brown, R. Ahlrichs, H.J. Böhm, A. Chang, D.C. Comeau, R. Gdanitz, H. Dachsel, C. Ehrhardt, M. Ernzerhof, P. Höchtl, S. Irle, G. Kedziora, T. Kovar, V. Parasuk, M.J.M. Pepper, P. Scharf, H. Schiffer, M. Schindler, M. Schüler, M. Seth, E.A. Stahlberg, J.-G. Zhao, S. Yabushita, Z. Zhang, release 5.8 (2001)
-
(2001)
COLUMBUS, an ab initio Electronic Structure Program
-
-
Lischka, H.1
Shepard, R.2
Shavitt, I.3
Pitzer, R.M.4
Dallos, M.5
Müller, Th.6
Szalay, P.G.7
Brown, F.B.8
Ahlrichs, R.9
Böhm, H.J.10
Chang, A.11
Comeau, D.C.12
Gdanitz, R.13
Dachsel, H.14
Ehrhardt, C.15
Ernzerhof, M.16
Höchtl, P.17
Irle, S.18
Kedziora, G.19
Kovar, T.20
Parasuk, V.21
Pepper, M.J.M.22
Scharf, P.23
Schiffer, H.24
Schindler, M.25
Schüler, M.26
Seth, M.27
Stahlberg, E.A.28
Zhao, J.-G.29
Yabushita, S.30
Zhang, Z.31
more..
-
37
-
-
84907549145
-
-
H. Lischka, R. Shepard, F.B. Brown, and I. Shavitt Int. J. Quantum Chem., Quantum Chem. Symp. 15 1981 91
-
(1981)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.15
, pp. 91
-
-
Lischka, H.1
Shepard, R.2
Brown, F.B.3
Shavitt, I.4
-
38
-
-
84990642394
-
-
R. Shepard, I. Shavitt, R.M. Pitzer, D.C. Comeau, M. Pepper, H. Lischka, P.G. Szalay, R. Ahlrichs, F.B. Brown, and J. Zhao Int. J. Quantum Chem., Quantum Chem. Symp. 22 1988 149
-
(1988)
Int. J. Quantum Chem., Quantum Chem. Symp.
, vol.22
, pp. 149
-
-
Shepard, R.1
Shavitt, I.2
Pitzer, R.M.3
Comeau, D.C.4
Pepper, M.5
Lischka, H.6
Szalay, P.G.7
Ahlrichs, R.8
Brown, F.B.9
Zhao, J.10
-
39
-
-
0035111450
-
-
H. Lischka, R. Shepard, R.M. Pitzer, I. Shavitt, M. Dallos, Th. Müller, P.G. Szalay, M. Seth, G.S. Kedziora, S. Yabushita, and Z. Zhang Phys. Chem. Chem. Phys. 3 2001 664
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 664
-
-
Lischka, H.1
Shepard, R.2
Pitzer, R.M.3
Shavitt, I.4
Dallos, M.5
Müller, Th.6
Szalay, P.G.7
Seth, M.8
Kedziora, G.S.9
Yabushita, S.10
Zhang, Z.11
-
41
-
-
0035880649
-
-
A. Ramirez-Solis, V. Vallet, Ch. Teichteil, T. Leininger, and J.P. Daudey J. Chem. Phys. 115 2001 3201
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 3201
-
-
Ramirez-Solis, A.1
Vallet, V.2
Teichteil, Ch.3
Leininger, T.4
Daudey, J.P.5
-
51
-
-
0001373025
-
-
F. Ahmed, R.F. Barrow, A.H. Chojnicki, C. Dufour, and J. Schamps J. Phys. B 15 1982 3801
-
(1982)
J. Phys. B
, vol.15
, pp. 3801
-
-
Ahmed, F.1
Barrow, R.F.2
Chojnicki, A.H.3
Dufour, C.4
Schamps, J.5
-
55
-
-
0000269315
-
-
J.M. Delaval, Y. Lefebvre, H. Bocquet, P. Bernage, and P. Niay Chem. Phys. 111 1987 129
-
(1987)
Chem. Phys.
, vol.111
, pp. 129
-
-
Delaval, J.M.1
Lefebvre, Y.2
Bocquet, H.3
Bernage, P.4
Niay, P.5
-
56
-
-
0035527187
-
-
T. Parekunnel, L.C. O'Brien, T.L. Kellermann, T. Hirao, and P.F. Bernath J. Mol. Spectrosc. 206 2001 27
-
(2001)
J. Mol. Spectrosc.
, vol.206
, pp. 27
-
-
Parekunnel, T.1
O'Brien, L.C.2
Kellermann, T.L.3
Hirao, T.4
Bernath, P.F.5
-
74
-
-
14544279553
-
-
Habilitation thesis, Uniwersytet Jagielloński, Krakow
-
J. Koperski, Habilitation thesis, Uniwersytet Jagielloński, Krakow, 2001
-
(2001)
-
-
Koperski, J.1
-
80
-
-
0035935343
-
-
P. Schwerdtfeger, R. Wesendrup, G.E. Moyano, A.J. Sadlej, J. Greif, and E. Hensel J. Chem. Phys. 115 2001 7401
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 7401
-
-
Schwerdtfeger, P.1
Wesendrup, R.2
Moyano, G.E.3
Sadlej, A.J.4
Greif, J.5
Hensel, E.6
-
82
-
-
85030806504
-
-
private communication
-
K.A. Peterson, private communication
-
-
-
Peterson, K.A.1
-
88
-
-
36549104325
-
-
A. Zehnacker, M.C. Duval, C. Jouvet, C. Lardeux-Dedonder, D. Solgadi, B. Soep, and O. Benoist d'Azy J. Chem. Phys. 86 1987 6565
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 6565
-
-
Zehnacker, A.1
Duval, M.C.2
Jouvet, C.3
Lardeux-Dedonder, C.4
Solgadi, D.5
Soep, B.6
Benoist D'Azy, O.7
-
90
-
-
0001526466
-
-
M. Schlauf, O. Dimopoulou-Rademann, K. Rademann, U. Even, and F. Hensel J. Chem. Phys. 90 1989 4630
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 4630
-
-
Schlauf, M.1
Dimopoulou-Rademann, O.2
Rademann, K.3
Even, U.4
Hensel, F.5
-
91
-
-
0001274777
-
-
W. Kedzierski, J. Supronowicz, A. Czajkowski, J.B. Atkinson, and L. Krause J. Mol. Spectrosc. 173 1995 510
-
(1995)
J. Mol. Spectrosc.
, vol.173
, pp. 510
-
-
Kedzierski, W.1
Supronowicz, J.2
Czajkowski, A.3
Atkinson, J.B.4
Krause, L.5
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