Verly large electronic structure calculations using an out-of-core filter-diagonalization method

Journal of Computational Physics

Volumn 180, Issue 1, 2002, Pages 256-269

  Toledo, Sivan ^a   Rabani, Eran ^a  

^a TEL AVIV UNIVERSITY   (Israel)

Author keywords

Electronic structure; Out of core; QR decomposition; Singular value decomposition

Indexed keywords

PERSONAL COMPUTERS; SEMICONDUCTOR QUANTUM DOTS; SINGULAR VALUE DECOMPOSITION;

ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC.STRUCTURE; ENERGY RANGES; FILTER DIAGONALIZATION METHODS; NONORTHOGONAL STATE; ORTHOGONAL STATE; ORTHOGONALIZATION; OUT-OF-CORE; PSEUDOPOTENTIALS; QR DECOMPOSITION;

ELECTRONIC STRUCTURE;

EID: 0037142952     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.2002.7090     Document Type: Article

References (24)

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