Generalized spin orbital density functional study of multicenter metal systems

Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

Volumn 379, Issue , 2002, Pages 537-542

  Yamanaka, Shusuke ^a   Takeda, Ryo ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Generalized spin orbital density functional theory; Multicenter metal clusters; Noncollinear molecular magnetism

Indexed keywords

ANTIFERROMAGNETISM; APPROXIMATION THEORY; GROUND STATE; MAGNETS; PROBABILITY DENSITY FUNCTION;

GENERALIZED SPIN ORBITAL DENSITY FUNCTIONAL THEORY; MULTICENTER METAL CLUSTERS; NONCOLLINEAR MOLECULAR MAGNETISM;

CHROMIUM;

EID: 3142577692     PISSN: 1058725X     EISSN: None     Source Type: Journal    
DOI: 10.1080/713738614     Document Type: Conference Paper

References (10)

1. K. Yamaguchi, Chem. Phys. Letters, 30, 288 (1975).
2. K. Yamaguchi and H. Fukutome, Prog. Theor. Phys. 54, 54 (1975).
3. S. Yamanaka, et al., Int. J. Quantum Chem., 80, 664 (2000).
4. S. Yamanaka, et al., Int. J. Quantum Chem., in press.
5. U. von Barth et al., J. Phys. C Solid State Phys. 5, 1629 (1972).
6. S. H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58, 1200 (1980).
7. S. Hujinaga, Gaussian basis sets for molecular calculations, Elsevier (1984).
8. D. Hobbs, G. Kresse, J. Hafner, Phys. Rev. B, 62, 11556 (2000).
9. T. Kawakami et al., J. Mol. Structure (Theochem) 451, 89, (1998).
10. L. Carsto et al., J. Am. Chem. Soc., 120, 2365 (1998).