MnO+: A challenge for density functional theory methods

Theoretical Chemistry Accounts

Volumn 107, Issue 5, 2002, Pages 309-312

  Bauschlicher Jr , Charles W ^a   Gutsev, G L ^a,b  

^a NASA AMES RESEARCH CENTER   (United States)

^b UNIVERSITY OF VIRGINIA   (United States)

Author keywords

Complete active space self consistent field; Density functional theory; MnO+; Multireference configuration interaction

Indexed keywords

MANGANESE OXIDE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; DENSITY FUNCTIONAL THEORY; METHODOLOGY; SPECTROSCOPY;

EID: 0036279902     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0334-1     Document Type: Article

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