MC-QCISD: Multi-coefficient correlation method based on quadratic configuration interaction with single and double excitations

Journal of Physical Chemistry A

Volumn 104, Issue 26, 2000, Pages 6111-6116

  Fast, Patton L ^a   Truhlar, Donald G ^a  

^a University of Minnesota ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHEMICAL REACTIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ENTHALPY; FREE ENERGY; MOLECULAR VIBRATIONS; OPTIMIZATION;

MULTI COEFFICIENT CORRELATION METHOD; POTENTIAL ENERGY SURFACE; QUADRATIC CONFIGURATION INTERACTION; THERMOCHEMISTRY;

MOLECULAR DYNAMICS;

EID: 0034225915     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000408i     Document Type: Article

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