Determining the energy gap between the cis and trans isomers of HO 3- using geometry optimization within the anti-Hermitian contracted Schrödinger and coupled cluster methods

Journal of Physical Chemistry A

Volumn 111, Issue 49, 2007, Pages 12635-12640

  Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTI-HERMITIAN CONTRACTED SCHRÖDINGER EQUATION (ACSE); COUPLED CLUSTER METHODS; RELATIVE ENERGIES;

ISOMERS; OPTIMIZATION; OZONIZATION; POLARIZATION;

ENERGY GAP;

EID: 38049160749     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp076097u     Document Type: Article

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