An assessment of the accuracy of multireference configuration interaction (MRCI) and complete-active-space second-order perturbation theory (CASPT2) for breaking bonds to hydrogen

Journal of Physical Chemistry A

Volumn 107, Issue 29, 2003, Pages 5611-5616

  Abrams, Micah L ^a   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

VALENCE BANDS;

ELECTRON ENERGY LEVELS; ERROR DETECTION; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

HYDROGEN BONDS;

EID: 0042266806     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034669e     Document Type: Article

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