Quantum spin correction scheme for Ab initio spin-unrestricted solutions: Multiple bonds case

International Journal of Quantum Chemistry

Volumn 105, Issue 6, 2005, Pages 605-614

  Yamanaka, Shusuke ^a   Takeda, Ryo ^a   Shoji, Mitsuo ^a   Kitagawa, Yasutaka ^a   Honda, Hiroaki ^b   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

Bond operator representation; Effective exchange integrals; Quantum spin correction; Spin correlation function

Indexed keywords

CHEMICAL BONDS; DIMERS; MAPPING; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

BOND-OPERATOR REPRESENTATION; EFFECTIVE EXCHANGE INTEGRALS; QUANTUM SPIN CORRECTION; SPIN CORRELATION FUNCTION;

QUANTUM THEORY;

EID: 30544443310     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20738     Document Type: Conference Paper

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