Real or artifactual symmetry breaking in the BNB radical: A multireference coupled cluster viewpoint

Journal of Chemical Physics

Volumn 126, Issue 22, 2007, Pages

  Li, Xiangzhu ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

PERTURBATION TECHNIQUES; STRETCHING;

ARTIFACTUAL SYMMETRY BREAKING; ASYMMETRIC STRUCTURE; BASIS SETS; COUPLED CLUSTER; MULTIREFERENCE COUPLED CLUSTER METHOD;

FREE RADICALS;

EID: 34250777316     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2746027     Document Type: Article

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