Systematic study of selected diagonalization methods for configuration interaction matrices

Journal of Computational Chemistry

Volumn 22, Issue 13, 2001, Pages 1574-1589

  Leininger, Matthew L ^a,b,c   Sherrill, C David ^a,b,c   Allen, Wesley D ^a,b,c   Schaefer III, Henry F ^a,b,c  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSITY OF GEORGIA   (United States)

Author keywords

Ab inito methods; Configuration interaction; Davidson method; Diagonalization methods; Symmetric eigenvalue problem

Indexed keywords

EID: 0035478776     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1111     Document Type: Article

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