Semiempirical methods with conjugate gradient density matrix search to replace diagonalization for molecular systems containing thousands of atoms

Journal of Chemical Physics

Volumn 107, Issue 2, 1997, Pages 425-430

  Daniels, Andrew D ^a   Millam, John M ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000876466     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474404     Document Type: Article

References (44)

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