Preconditioned iterative minimization for linear-scaling electronic structure calculations

Journal of Chemical Physics

Volumn 119, Issue 17, 2003, Pages 8842-8848

  Mostofi, Arash A ^a   Haynes, Peter D ^a   Skylaris, Chris Kriton ^a   Payne, Mike C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; EIGENVALUES AND EIGENFUNCTIONS; FOURIER TRANSFORMS; GROUND STATE; HAMILTONIANS; ITERATIVE METHODS; KINETIC ENERGY; PROBABILITY DENSITY FUNCTION;

ENERGY CONVERGENCE;

ELECTRONIC STRUCTURE;

EID: 0344036143     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1613633     Document Type: Article

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