Ground-state multiplicities and d-d excitations of transition-metal complexes by effective Hamiltonian method

International Journal of Quantum Chemistry

Volumn 58, Issue 2, 1996, Pages 161-173

  Soudackov, A V ^a,b,d   Tchougreeff A L ^b,c   Misurkin, I A ^b  

^a LEIBNIZ UNIVERSITY HANNOVER   (Germany)

^b KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

^c MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME   (Germany)

^d Alexander Von Humboldt ^*

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001806775     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1996)58:2<161::AID-QUA5>3.0.CO;2-W     Document Type: Article

References (39)

1. M. C. Zerner and A. D. Bacon, Theor. Chim. Acta. 53, 21 (1979).
2. M. C. Zerner, G. H. Loew, R. F. Kirchner, and U. T. Mueller-Westerhoff, J. Am. Chem. Soc. 102, 589 (1980).
3. W. D. Edwards, B. Weiner, and M. C. Zerner, J. Phys. Chem. 92, 6188 (1988).
4. W. D. Edwards, B. Weiner, and M. C. Zerner, J. Am. Chem. Soc. 108, 2196 (1986).
5. M. Kotzian, N. Rösch, H. Schröder, and M. C. Zerner, J. Am. Chem. Soc. 111, 7687 (1989).
6. J. E. Newton and M. B. Hall, Inorg. Chem. 23, 4627 (1984).
7. J. E. Newton and M. B. Hall, Inorg. Chem. 24, 2573 (1985).
8. K. Pierloot and L. G. Vanquickenborne, J. Chem. Phys. 93, 4154 (1990).
9. M. Rosi, C. W. Bauschlicher, S. C. Langhoff, and H. Partridge, J. Phys. Chem. 94, 8656 (1990).
10. K. Morokuma, Inorg. Chem. 29, 3110 (1990).
11. H. Johansen and N. K. Andersen, Mol. Phys. 58, 965 (1986).
12. S. Y. Shashkin and W. A. Goddard III, Phys. Rev. B 33, 153 (1986).
13. G. J. M. Janssen and W. C. Nieuwpoort, Int. J. Quantum Chem. Symp. 22, 679 (1988).
14. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, Theor. Chim. Acta 83, 389 (1992).
15. M. C. Böhm, Theor. Chim. Acta 60, 233 (1981).
16. J. P. Blaizot and G. Ripka, Quantum Theory of Finite Systems (MIT Press, Cambridge, MA, 1986); A. V. Soudackov, PhD Thesis (Karpov Institute of Physical Chemistry, Moscow, 1991) (in Russian).
17. J. P. Blaizot and G. Ripka, Quantum Theory of Finite Systems (MIT Press, Cambridge, MA, 1986); A. V. Soudackov, PhD Thesis (Karpov Institute of Physical Chemistry, Moscow, 1991) (in Russian).
18. C. K. Jorgensen, Modern Aspects of Ligand Field Theory (North-Holland, Amsterdam, 1971).
19. A. B. P. Lever, Inorganic Electronic Spectroscopy (Eisevier, Amsterdam, 1986).
20. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, in Electron - Electron Correlation Effects in Low-Dimensional Conductors and Superconductors, A. A. Ovchinnikov and I. I. Ukrainskii, Eds. (Springer-Verlag, Berlin, 1991).
21. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, Zh. Fiz. Khim. 68, 1257 (1994) (in Russian); Russ. J. Phys. Chem. 68, 1135 (1994) (in English).
22. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, Zh. Fiz. Khim. 68, 1257 (1994) (in Russian); Russ. J. Phys. Chem. 68, 1135 (1994) (in English).
23. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, Zh. Fiz. Khim. 68, 1265 (1994) (in Russian); Russ. J. Phys. Chem. 68, 1142 (1994) (in English).
24. A. V. Soudackov, A. L. Tchougréeff, and I. A. Misurkin, Zh. Fiz. Khim. 68, 1265 (1994) (in Russian); Russ. J. Phys. Chem. 68, 1142 (1994) (in English).
25. A. L. Tchougréeff, A. V. Soudackov, I. A. Misurkin, H. Bolvin, and O. Kahn, Chem. Phys. 193, 19 (1995).
26. R. McWeeny, Methods of Molecular Quantum Mechanics (Academic Press, London, 1992).
27. J. A. Pople and D. L. Beveridge, Approximate Molecular Orbital Theory (McGraw-Hill, New York, 1970).
28. D. W. Clack, N. S. Hush, and S. R. Yandle, J. Chem. Phys. 57, 3503 (1972).
29. M. Gerloch and R. G. Wooley, Progr. Inorg. Chem. 31, 371 (1984).
30. C. R. Hare and C. J. Ballhausen, J. Chem. Phys. 40, 792 (1964).
31. J. S. Merriam and J. R. Perrumareddi, J. Phys. Chem. 79, 142 (1975).
32. R. J. Doedens and L. F. Dahl, J. Am. Chem. Soc. 88, 4847 (1966).
33. A. Zalkin, D. H. Templeton, and T. Ueki, Inorg. Chem. 12, 1641 (1973).
34. A. Dedieu, M.-M. Rohmer, and A. Veillard, Adv. Quantum Chem. 16, 43 (1982).
35. H. Kashiwagi, T. Takada, S. Obara, E. Miyoshi, and K. Ohno, Int. J. Quantum Chem. 14, 13 (1978).
36. D. C. Rawlings, M. Gouterman, E. R. Davidson, and D. Feller, Int. J. Quantum Chem. 28, 773 (1985).
37. P. Fulde, Electron Correlations in Molecules and Solids (Springer-Verlag, 1993).
38. J.-P. Malrieu, in The Concept of the Chemical Bond, Part 2, Z. B. Maksic, Ed. (Springer-Verlag, Berlin, 1990).
39. V. I. Pupyshev, Additional Chapters of Molecular Quantum Mechanics. Course of Lectures (Unpublished).