Failure of density-matrix minimization methods for linear-scaling density-functional theory using the Kohn penalty-functional

Solid State Communications

Volumn 108, Issue 10, 1998, Pages 737-741

  Haynes, P D ^a   Payne, M C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; VARIATIONAL TECHNIQUES;

KOHN PENALTY-FUNCTIONAL THEORY; LINEAR-SCALING DENSITY-FUNCTIONAL THEORY;

QUANTUM THEORY;

EID: 0032487684     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0038-1098(98)00458-X     Document Type: Article

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