The influence of correlation on the interpretation of Hund's multiplicity rule: A quantum Monte Carlo study

Journal of Chemical Physics

Volumn 125, Issue 1, 2006, Pages

  Oyamada, Takayuki ^a   Hongo, Kenta ^a   Kawazoe, Yoshiyuki ^a   Yasuhara, Hiroshi ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; COMPUTATIONAL METHODS; CORRELATION METHODS; KINETIC ENERGY; SEMICONDUCTOR JUNCTIONS;

HARTREE FOCK CALCULATIONS; HUND'S MULTIPLICITY RULE; MONTE CARLO STUDY; REPULSION ENERGY;

QUANTUM THEORY;

EID: 33745792755     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2209692     Document Type: Article

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