-
1
-
-
0001205532
-
-
edited by K. A. Gschneider and L. Eyring Elsevier, Amsterdam.
-
M. Dolg and H. Stoll, in Electronic Structure Calculations for Molecules containing Lanthanide Atoms, Handbook on the Physics and Chemistry of the Rare Earths, edited by K. A. Gschneider and L. Eyring (Elsevier, Amsterdam. 1996), Vol. 22.
-
(1996)
Electronic Structure Calculations for Molecules Containing Lanthanide Atoms, Handbook on the Physics and Chemistry of the Rare Earths
, vol.22
-
-
Dolg, M.1
Stoll, H.2
-
2
-
-
0003722465
-
-
edited by K. A. Gschneider, L. Eyring, G. R. Choppin, and G. H. Lander Elsevier, Amsterdam
-
K. Balasubramanian, in Relativistic Effects and Electronic Structure of Lanthanide and Actinide Molecules, Handbook on the Physics and Chemistry of the Rare Earths, edited by K. A. Gschneider, L. Eyring, G. R. Choppin, and G. H. Lander (Elsevier, Amsterdam, 1994), Vol. 18.
-
(1994)
Relativistic Effects and Electronic Structure of Lanthanide and Actinide Molecules, Handbook on the Physics and Chemistry of the Rare Earths
, vol.18
-
-
Balasubramanian, K.1
-
4
-
-
84855850794
-
-
U. Haüssermann, M. Dolg, H. Stoll, H. Preuss, P. Schwerdtfeger, and R. M. Pitzer, Mol. Phys. 78, 1211 (1993).
-
(1993)
Mol. Phys.
, vol.78
, pp. 1211
-
-
Haüssermann, U.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
Schwerdtfeger, P.5
Pitzer, R.M.6
-
6
-
-
0033436812
-
-
V. Vallet, B. Schimmelpfennig, L. Maron, C. Teichteil, T. Leininger, I. Grenthe, and U. Wahlgren, Chem. Phys. 244, 185 (1999).
-
(1999)
Chem. Phys.
, vol.244
, pp. 185
-
-
Vallet, V.1
Schimmelpfennig, B.2
Maron, L.3
Teichteil, C.4
Leininger, T.5
Grenthe, I.6
Wahlgren, U.7
-
7
-
-
34948877169
-
-
C. M. Marian, U. Wahlgren, O. Gropen, and P. Pyykkö, J. Mol. Struct.: THEOCHEM 169, 339 (1988).
-
(1988)
J. Mol. Struct.: THEOCHEM
, vol.169
, pp. 339
-
-
Marian, C.M.1
Wahlgren, U.2
Gropen, O.3
Pyykkö, P.4
-
15
-
-
0007024633
-
-
note
-
Although the LS notation is generally used for atoms we will use it for molecules as well throughout this article, to stress the absence of spin-orbit coupling in the first step of the calculations.
-
-
-
-
16
-
-
0001597489
-
-
E. A. Pazyuk, A. V. Stolyarov, A. Zaitsevski, R. Ferber, P. Kowalczyk, and C. Teichteil, Mol. Phys. 96, 955 (1999).
-
(1999)
Mol. Phys.
, vol.96
, pp. 955
-
-
Pazyuk, E.A.1
Stolyarov, A.V.2
Zaitsevski, A.3
Ferber, R.4
Kowalczyk, P.5
Teichteil, C.6
-
21
-
-
0028526487
-
-
A. H. H. Chang, K. Zhao, W. C. Ermler, and R. M. Pitzer, J. Alloys Compd. 213/214, 191 (1994).
-
(1994)
J. Alloys Compd.
, vol.213-214
, pp. 191
-
-
Chang, A.H.H.1
Zhao, K.2
Ermler, W.C.3
Pitzer, R.M.4
-
26
-
-
0001564495
-
-
A. B. Alekseyev, R. J. Buenker, H-P. Liebermann, and G. Hirsh, J. Chem. Phys. 100, 2989 (1994).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2989
-
-
Alekseyev, A.B.1
Buenker, R.J.2
Liebermann, H.-P.3
Hirsh, G.4
-
29
-
-
0000005660
-
-
M. Dolg, H. Stoll, H-J. Flad, and H. Preuss, J. Chem. Phys. 97, 1162 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 1162
-
-
Dolg, M.1
Stoll, H.2
Flad, H.-J.3
Preuss, H.4
-
30
-
-
11744299783
-
-
B. A. Hess, R. Buenker, C. M. Marian, and S. D. Peyerimhoff, Chem. Phys. Lett. 89, 459 (1982).
-
(1982)
Chem. Phys. Lett.
, vol.89
, pp. 459
-
-
Hess, B.A.1
Buenker, R.2
Marian, C.M.3
Peyerimhoff, S.D.4
-
33
-
-
0032502433
-
-
B. Schimmelpfennig, L. Maron, U. Wahlgren, C. Teichteil, H. Fagerli, and O. Gropen, Chem. Phys. Lett. 286, 267 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 267
-
-
Schimmelpfennig, B.1
Maron, L.2
Wahlgren, U.3
Teichteil, C.4
Fagerli, H.5
Gropen, O.6
-
35
-
-
0000334586
-
-
A. Zaitsevskii, C. Teichteil, J. Vigué, and G. Bazalgette, Chem. Phys. Lett. 307, 277 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.307
, pp. 277
-
-
Zaitsevskii, A.1
Teichteil, C.2
Vigué, J.3
Bazalgette, G.4
-
37
-
-
0030605478
-
-
B. A. Hess, C. M. Marian, U. Wahlgren, and O. Gropen, Chem. Phys. Lett. 251, 365 (1996).
-
(1996)
Chem. Phys. Lett.
, vol.251
, pp. 365
-
-
Hess, B.A.1
Marian, C.M.2
Wahlgren, U.3
Gropen, O.4
-
38
-
-
0000661765
-
-
R. J. Buenker, A. B. Alekseyev, H-P. Liebermann, R. Lingott, and G. Hirsch, J. Chem. Phys. 108, 3400 (1998).
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 3400
-
-
Buenker, R.J.1
Alekseyev, A.B.2
Liebermann, H.-P.3
Lingott, R.4
Hirsch, G.5
-
40
-
-
0346659085
-
-
U. Wahlgren, M. Sjøvoll, H. Fagerli, O. Gropen, and B. Schimmelpfennig, Theor. Chem. Acc. 97, 324 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 324
-
-
Wahlgren, U.1
Sjøvoll, M.2
Fagerli, H.3
Gropen, O.4
Schimmelpfennig, B.5
-
41
-
-
84865732662
-
-
W. Küchle, M. Dolg, H. Stoll, and H. Preuss, Mol. Phys. 74, 1245 (1991).
-
(1991)
Mol. Phys.
, vol.74
, pp. 1245
-
-
Küchle, W.1
Dolg, M.2
Stoll, H.3
Preuss, H.4
-
43
-
-
0000517732
-
-
R. Llusar, M. Casarrubios, Z. Barandiarán, and L. Seijo, J. Chem. Phys. 105, 5321 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5321
-
-
Llusar, R.1
Casarrubios, M.2
Barandiarán, Z.3
Seijo, L.4
-
45
-
-
0004094220
-
-
Lund University, Sweden
-
MOLCAS 4, K. Andersson, M. R. A. Blomberg, M. P. Fülscher, G. Karlstrom, R. Lindh, P-Å. Malmqvist, P. Neogrády, J. Olsen, B. O. Roos, M. Sadlej, A. J. Schütz, L. Seijo, L. Serrano-Andrés, P. E. M. Siegbahn, and P.-O. Widmark, Lund University, Sweden, 1997.
-
(1997)
MOLCAS 4
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Karlstrom, G.4
Lindh, R.5
Malmqvist, P.-Å.6
Neogrády, P.7
Olsen, J.8
Roos, B.O.9
Sadlej, M.10
Schütz, A.J.11
Seijo, L.12
Serrano-Andrés, L.13
Siegbahn, P.E.M.14
Widmark, P.-O.15
-
46
-
-
0007024392
-
-
MOLPRO is a package of ab initio programs written by with contributions from
-
MOLPRO is a package of ab initio programs written by H. J. Werner, P. J. Knowles, with contributions from J. Amlöf. R. D. Amos, A. Beining, M. J. O. Deegan, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, W. Meyer, A. Nicklass, K. Petterson, R. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schütz, H. Stoll, T. Thorsteisson, and D. L. Cooper.
-
-
-
Werner, H.J.1
Knowles, P.J.2
Amlöf, J.3
Amos, R.D.4
Beining, A.5
Deegan, M.J.O.6
Eckert, F.7
Elbert, S.T.8
Hampel, C.9
Lindh, R.10
Meyer, W.11
Nicklass, A.12
Petterson, K.13
Pitzer, R.14
Stone, A.J.15
Taylor, P.R.16
Mura, M.E.17
Pulay, P.18
Schütz, M.19
Stoll, H.20
Thorsteisson, T.21
Cooper, D.L.22
more..
-
57
-
-
0031569650
-
-
T. Leininger, A. Berning, A. Nicklass, H. Stoll, H-J. Werner, and H-J. Flad, Chem. Phys. 217, 19 (1997).
-
(1997)
Chem. Phys.
, vol.217
, pp. 19
-
-
Leininger, T.1
Berning, A.2
Nicklass, A.3
Stoll, H.4
Werner, H.-J.5
Flad, H.-J.6
|