A Nonempirical Approach to Ground-State Jahn-Teller Distortion: Case Study of VCl4

Inorganic Chemistry

Volumn 36, Issue 19, 1997, Pages 4251-4256

  Bruyndonckx, Raf ^a   Daul, Claude ^a   Manoharan, P T ^a   Deiss, Eric ^b  

^a Inst de Chim Inorg et Analytique   (Switzerland)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001727185     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic961220+     Document Type: Article

References (31)

1. Bersuker, I. B. The Jahn-Teller Effect and Vibronic Interactions in Modern Chemistry, Plenum Press: London, 1984.
2. Ballhausen, C. J. Molecular Electronic Structures of Transition Metal Complexes; McGraw-Hill: New York, 1979.
3. Ballhausen, C. J. In Vibronic Processes in Inorganic Chemistry; Flint C. F., Ed.; Kluwer Academic Publishers: Dordrecht, 1989; pp 53-78.
4. Bersuker, I. B. Electronic Structure and Properties of Transition Metal Compounds; John Wiley & Sons, Inc.: New York, 1996; Chapter 7.
5. Bersuker, I. B.; Polinger, V. Z. Vibronic Interactions in Molecules and Crystals, Springer: Berlin, 1989.
6. Perlin, Yu. E., Wagner, M., Eds. The Dynamical Jahn-Teller Effect in Localised Systems; North-Holland: Amsterdam, 1984.
7. Strömberg, D.; Sandström, M.; Wahlgren, U. Chem. Phys. Lett. 1990, 172, 49.
8. Akesson, R.; Pettersson, L. G. M.; Sandström, M.; Wahlgren, U. J. Phys. Chem. 1992, 96, 150.
9. Ballhausen, C. J.; Liehr, A. D. Acta Chem. Scand. 1961, 15, 5.
10. Lohr, L. L.; Liepscomb, W. N. Inorg. Chem. 1963, 2, 911.
11. Ballhausen, C. J.; de Heer, J. J. Chem. Phys. 1965, 43, 4304.
12. Daul, C.; Güdel, H.-U.; Weber, J. J. Chem. Phys. 1993, 98, 4023.
13. Daul, C. Int. J. Quantum Chem. 1994, 52, 865.
14. Gilardoni, F.; Weber, J.; Bellafrouh, K.; Daul, C.; Güdel, H.-U. J. Chem. Phys. 1996, 104, 7624.
15. Ziegler, T.; Rank, A.; Baerends, E. J. Theor. Chim. Acta 1977, 43, 261.
16. Blankenship, F. A.; Belford, R. L. J. Chem. Phys. 1962, 36, 633.
17. Morino, Y.; Uehara, H. J. Chem. Phys. 1966, 45, 4543.
18. Johannesen, R. B.; Candela, G. A.; Tung Tsang J. Chem. Phys. 1968, 48, 5544.
19. Pratt, D. W. Lawrence Radiation Laboratory Report UCRL-17406; University of California: Berkeley, CA, 1967.
20. Parameshwasan, T.; Koningstein, J. A. J. Mol. Spectrosc. 1977, 66, 350.
21. Deiss, E. A. Undersuchungen von Elektronenstrukturen in Ubergangsmetallkomplexen. Ph.D. Dissertation, ETH Zurich, 1980.
22. Ammeter, J. H.; Zoller, L.; Bachmann, J.; Baltzer, P.; Gamp, E.; Bucher, R.; Deiss, E. Helv. Chim. Acta 1981, 64, 1063.
23. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 42.
24. Baerends, E. J.; Ros, P. Int. J. Quantum Chem. 1973, 2, 42.
25. Baerends, E. J.; Ros, P. Chem. Phys. 1973, 2, 51.
26. Boerrigter, P. M.; te Velde, G.; Baerends, E. J. Int. J. Quantum Chem. 1988, 33, 87.
27. te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84.
28. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
29. Daul, C. A. Thèse d'Habilitation, University of Fribourg, 1983.
30. Griffith, J. S. The Irreducible Tensor Method for Molecular Symmetry Groups, Prentice Hall International: London, 1962.
31. Daul, C. A.; Doclo, K.; Stückl, C. A. In Recent Advances in Density Functional Methods, Part II; Chong, D., Ed.; World Scientific Publishing Company: Singapore, in press.