Computing charge densities with partially reorthogonalized Lanczos

Computer Physics Communications

Volumn 171, Issue 3, 2005, Pages 175-186

  Bekas, Constantine ^a   Saad, Yousef ^a   Tiago, Murilo L ^a   Chelikowsky, James R ^b  

^a University of Minnesota   (United States)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

Charge densities; Density functional theory; Lanczos; Partial reorthogonalization

Indexed keywords

COMPUTATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; VECTORS;

CHARGE DENSITIES; LANCZOS; ORTHOGONALITY; PARTIAL REORTHOGONALIZATION;

PROBABILITY DENSITY FUNCTION;

EID: 24644450089     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.05.005     Document Type: Article

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