Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods

Journal of Chemical Physics

Volumn 129, Issue 17, 2008, Pages

  Li, Xiangzhu ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR ORBITALS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SECURITY OF DATA; WAVE EQUATIONS;

BENZYNE; CC APPROACHES; CCSD; CLUSTER METHODS; CORRELATION EFFECTS; DIRADICAL; DIRADICALS; EQUILIBRIUM GEOMETRIES; EXTERNAL SOURCES; SELF-CONSISTENT FIELDS; SPATIAL SEPARATIONS; TRIMETHYLENEMETHANE; TRIPLET STATES;

LINEAR EQUATIONS;

EID: 55849122247     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2999560     Document Type: Article

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