Combining multiconfigurational wave functions with density functional estimates of dynamic electron correlation. 2. Effect of improved valence correlation

Journal of Physical Chemistry A

Volumn 101, Issue 43, 1997, Pages 8119-8122

  Malcolm, Nathaniel O J ^a   McDouall, Joseph J W ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; DISSOCIATION; ELECTRONS; MOLECULES; PROBABILITY DENSITY FUNCTION;

DYNAMIC ELECTRON CORRELATION; MULTICONFIGURATIONAL SELF CONSISTENT FIELD; VALENCE CORRELATION;

CARRIER CONCENTRATION;

EID: 0031245928     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971605t     Document Type: Article

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