A DFT based ligand field model for magnetic exchange coupling in transition metal dimer complexes: (II) application to magnetic systems with more than one unpaired electron per site

Chemical Physics Letters

Volumn 381, Issue 5-6, 2003, Pages 584-591

  Atanasov, M ^a,b   Daul, C A ^a  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b INSTITUTE OF PHYSIOLOGY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM DERIVATIVE; DIMER; METAL COMPLEX; TRANSITION ELEMENT;

ARTICLE; CALCULATION; ELECTRON; MAGNETISM; MOLECULAR INTERACTION; MOLECULAR PHYSICS;

EID: 0242490741     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.10.024     Document Type: Article

References (23)

1. Kahn O. Molecular Magnetism. 1993;VCH Publishers, New York.
2. Anderson P.W. Phys. Rev. 115:1959;2.
3. Hay P.J., Thibeault J.C., Hoffmann R. J. Am. Chem. Soc. 97:1975;4884.
4. de Loth P., Cassoux P., Daudey J.P., Malrieu J.P. J. Am. Chem. Soc. 103:1981;4007.
5. Broer R., Maaskant W.J.A. Chem. Phys. 102:1986;103.
6. Miralles J., Daudey J.-P., Caballol R. Chem. Phys. Lett. 198:1992;555.
7. Miralles J., Castell O., Caballol R., Malrieu J.P. Chem. Phys. 172:1993;33.
8. Fink K., Fink R., Staemmler V. Inorg. Chem. 33:1994;6219.
9. Noodleman L., Norman J.G. Jr. J. Chem. Phys. 70:1979;4903.
10. Noodleman L. J. Chem. Phys. 74:1981;5737.
11. Noodleman L., Davidson E.R. Chem. Phys. 109:1986;131.
12. Atanasov M., Daul C.A. Chem. Phys. Lett. 379:2003;209.
13. Schenker R., Weihe H., Güdel H.U. Inorg. Chem. 38:1999;5593.
14. Baerends E.J., Ellis D.E., Ros P. Chem. Phys. 2:1993;42.
15. Boerrigter P.M., te Velde G., Baerends E.J. Int. J. Qunatum Chem. 33:1988;87.
16. te Velde G., Baerends E.J. Comput. Phys. 99:1992;84.
17. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
18. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
19. Wieghardt K., Chaudhury P., Nuber B., Weiss J. Inorg. Chem. 21:1982;3086.
20. Borras-Almenar J.J., Coronado E., Clemente-Juan J.M., Palii A.V., Tsukerblat B.S. J. Solid. St. Chem. 159:2001;268.
21. Borras-Almenar J.J., Clemente-Juan J.M., Coronado E., Palii A.V., Tsukerblat B.S. J. Chem. Phys. 114:2001;1148.
22. Tsukerblat B.S., Palii A.V., Mirovitskii V.Yu., Ostrovsky S.M., Turta K., Jovmir T., Shova S., Bartolome J., Evangelisti M., Filoti G. J. Chem. Phys. 115:2001;9528.
23. Palii A.V., Tsukerblat B.S., Verdaguer M. J. Chem. Phys. 117:2002;7896.