Converging difficult SCF cases with conjugate gradient density matrix search

Physical Chemistry Chemical Physics

Volumn 2, Issue 10, 2000, Pages 2173-2176

  Daniels, Andrew D ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM DERIVATIVE; URANIUM DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; THEORY;

EID: 0034657397     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b000618l     Document Type: Article

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