A local approximation for relativistic scalar operators applied to the uranyl ion and to Au 2

Chemical Physics Letters

Volumn 287, Issue 5-6, 1998, Pages 525-530

  Wahlgren, Ulf ^a,c   Schimmelpfennig, Bernd ^a   Jusuf, Sutjano ^a   Strömsnes, Hege ^a   Gropen, Odd ^a   Maron, Laurent ^b  

^a UNIVERSITY OF TROMSØ   (Norway)

^b Université Paul Sabatier   (France)

^c STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032495927     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00208-5     Document Type: Article

References (24)

1. Schwerdtfeger P., Dolg M., Schwartz W.E.H., Bowmaker G.A., Boyd P.D. J. Chem. Phys. 91:1989;1762.
2. Schwerdtfeger P., Boyd P.D., Burrel A.K., Robinson W.T., Taylor M.J. Inorg. Chem. 29:1990;3593.
3. R.E. Moss, in: Advanced molecular quantum mechanics, Chapman and Hall, 1973.
4. Schwarz W.H.E., VanWezenbeek E.M., Baerends E.J., Snijders J.G. J. Phys. B. 22:1989;1515.
5. Douglas M., Kroll N.M. Ann. Phys. (NY). 82:1974;89.
6. Dehmer J.L. Phys. Rev. A. 7:1973;4.
7. B. Schimmelpfennig, L. Maron, C. Teichteil, H. Fagerli, O. Gropen, Chem. Phys. Lett., in press.
8. Hess B.A., Marian C.M., Wahlgren U., Gropen O. Chem. Phys. Lett. 251:1996;365.
9. Foldy L.L., Wouthuysen S.A. Phys. Rev. 78:1950;29.
10. Almlöf J., Gropen O. Reviews in Computational Chemistry. 8:1996;203.
11. The STOCKHOLM program system is a general purpose quantum chemical set of programs written by P.E.M. Siegbahn, M.R.A. Blomberg, L.G.M. Pettersson, B.O. Roos, J. Almlöf.
12. MOLCAS4, K. Andersson, M.R.A. Blomberg, M.P. Fülscher, G. Karlström, V. Kellö, R. Lindh, P.-Å. Malmqvist, J. Noga, J. Olsen, B.O. Roos, A.J. Sadlej, P.E.M. Siegbahn, M. Urban, P.-O. Widmark, University of Lund, Sweden.
13. T. Helgaker, P.R. Taylor, K. Ruud, O. Vahtras, H. Koch. Hermit, a molecular integral program. Univeristy of Oslo.
14. M.W. Feyereisen, J. Almlöf, SUPERMOLECULE: a program for electronic structure calculations, University of Minnesota, 1993.
15. B.A. Hess, Institute of Physical and Theoretical Chemistry, University of Bonn, Bonn, 1995.
16. Huzinaga S., Seijo L., Barandarian Z., Klubokowski M. J. Chem. Phys. 86:1987;2132.
17. Huzinaga S., Seijo L., Barandarian Z. J. Chem. Phys. 91:1989;7011.
18. Barandarian Z., Huzinaga S., Seijo L. J. Chem. Phys. 94:1991;3762.
19. K. Faegri, University of Oslo, personal communication.
20. Huzinaga S. J. Chem. Phys. 42:1965;1293.
21. Gdanitz R.J., Ahlrichs R. Chem. Phys. Lett. 143:1988;413.
22. Pyykkö P., Li J., Runeberg N. J. Phys. Chem. 98:1994;4809.
23. Craw J.S., Vincent M.A., Hillier I.A., Wallwork A.L. J. Phys. Chem. 99:1995;10181.
24. VanWezenbeek E.M., Baerends E.J., Snijders J.G. Theor. Chim. Acta. 81:1991;139.