Spin Correlation Functions by Generalized Spin Orbital Density Functional and Multireference Approaches

International Journal of Quantum Chemistry

Volumn 95, Issue 4-5, 2003, Pages 512-520

  Yamanaka, S ^a   Takeda, R ^a   Kawakami, T ^a   Nakano, S ^a   Yamaki, D ^a   Yamada, S ^a   Nakata, K ^b   Sakuma, T ^b   Takada, T ^b   Yamaguchi, K ^a  

^a OSAKA UNIVERSITY   (Japan)

^b NEC CORPORATION   (Japan)

Author keywords

Generalized spin orbital density functional theory; Resonating valence bond; Spin canting; Spin correlation function; Spin frustration

Indexed keywords

APPROXIMATION THEORY; CONFORMATIONS; CORRELATION METHODS; MAGNETISM; PROBABILITY DENSITY FUNCTION; VECTORS;

SPIN ORBITAL DENSITY;

CARRIER CONCENTRATION;

EID: 10744226392     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10753     Document Type: Conference Paper

References (28)

1. Awaga, K.; Okuno, T.; Yamaguchi, M.; Hasegatwa, M.; Inabe, T.; Maruyama, Y.; Wada, N. Phys Rev B 1994, 49, 3975.
2. Tamura, M.; Kato, R. J Phys Condens Matter 2002, 14, 1729.
3. Harris, M. J.; Bramwell, S. T.; McMorrow, D. F.; Zeiske, T.; Godfrey, K. W. Phys Rev Lett 1997, 79, 2354.
4. Capriotti, L.; Trumper, A. E.; Sorella, S. Phys Rev Lett 1999, 82, 3899.
5. Yoshimori, A. J Phys Soc Jpn 1959, 14, 807.
6. Yamaguchi, K. Chem Phys Lett 1975, 30, 288.
7. Anderson, P. W. Mater Res Bull 1975, 8, 153; Anderson, P. W. Science 1987, 235, 1196.
8. Anderson, P. W. Mater Res Bull 1975, 8, 153; Anderson, P. W. Science 1987, 235, 1196.
9. Fukuyama, H. Progr Theor Phys 1992, 108 (suppl), 287; Tanamoto, T.; Kohno, H.; Fukuyama, H. J Phys Soc Jpn 1993, 62, 717.
10. Fukuyama, H. Progr Theor Phys 1992, 108 (suppl), 287; Tanamoto, T.; Kohno, H.; Fukuyama, H. J Phys Soc Jpn 1993, 62, 717.
11. Yamanaka, S.; Yamaki, D.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Suzuki, N.; Yamaguchi, K. Int J Quantum Chem 2000, 80, 664; Yamanaka, S.; Yamaki, D.; Kiribayashi, S.; Yamaguchi, K. Int J Quantum Chem 2001, 85, 421; Yamanaka, S.; Takeda, R.; Yamaguchi, K. Polyhedron 2003, 22, 2013.
12. Yamanaka, S.; Yamaki, D.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Suzuki, N.; Yamaguchi, K. Int J Quantum Chem 2000, 80, 664; Yamanaka, S.; Yamaki, D.; Kiribayashi, S.; Yamaguchi, K. Int J Quantum Chem 2001, 85, 421; Yamanaka, S.; Takeda, R.; Yamaguchi, K. Polyhedron 2003, 22, 2013.
13. Yamanaka, S.; Yamaki, D.; Shigeta, Y.; Nagao, H.; Yoshioka, Y.; Suzuki, N.; Yamaguchi, K. Int J Quantum Chem 2000, 80, 664; Yamanaka, S.; Yamaki, D.; Kiribayashi, S.; Yamaguchi, K. Int J Quantum Chem 2001, 85, 421; Yamanaka, S.; Takeda, R.; Yamaguchi, K. Polyhedron 2003, 22, 2013.
14. Yamanaka, S.; Ohsaku, T.; Yamaki, D.; Yamaguchi, K. Int J Quantum Chem 2003, 91, 376.
15. Görling, A. Phys Rev A 1993, 47, 2783.
16. Inui, T.; Tanabe, K.; Onodera, Y. Group Theory and its Applications in Physics; Springer-Verlag: New York, 1990.
17. Fukutome, H. Progr Theor Phys 1974, 52, 1776.
18. Weiner, B.; Trickey, S. B. Int J Quantum Chem 1998, 69, 451.
19. Yamaguchi, K. Chem Phys Lett 1978, 29, 117.
20. Perdew, J. P.; Savin, A.; Burke, K. Phys Rev A 1995, 51, 4531; Perdew, J. P.; Ernzherhof, M.; Burke, K.; Savin, A. Int J Quantum Chem 1997, 61, 197.
21. Perdew, J. P.; Savin, A.; Burke, K. Phys Rev A 1995, 51, 4531; Perdew, J. P.; Ernzherhof, M.; Burke, K.; Savin, A. Int J Quantum Chem 1997, 61, 197.
22. Yamaguchi, K. Chem Phys Lett 1979, 66, 395.
23. Aussoleil, J.; Cassoux, P.; de Loth, P.; Tuchagues, J.-P. Inorg Chem 1989, 28, 3051.
24. Yamaguchi, K. Chem Phys Lett 1974, 28, 93.
25. Yoshida, K. Theory of Magnetism; Springer-Verlag: New York, 1998.
26. Yamaguchi, K.; Ohta, K.; Yabushita, S.; Fueno, T. Chem Phys Lett 1977, 49, 555.
27. Ohsaku, T.; Yamanaka, S.; Yamaki, D.; Yamaguchi, K. Int J Quantum Chem 2002, 90, 273.
28. Fukutome, H. Progr Theor Phys 1988, 80, 417.