Daubechies wavelets as a basis set for density functional pseudopotential calculations

Journal of Chemical Physics

Volumn 129, Issue 1, 2008, Pages

  Genovese, Luigi ^a   Neelov, Alexey ^b   Goedecker, Stefan ^b   Deutsch, Thierry ^a   Ghasemi, Seyed Alireza ^b   Willand, Alexander ^b   Caliste, Damien ^a   Zilberberg, Oded ^b   Rayson, Mark ^b   Bergman, Anders ^a   Schneider, Reinhold ^c  

^a CEA GRENOBLE   (France)

^b UNIVERSITY OF BASEL   (Switzerland)

^c TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SOFTWARE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SOFTWARE PACKAGES;

AMERICAN INSTITUTE OF PHYSICS (AIP); BASIS SETS; CONVERGENCE PROPERTIES; DAUBECHIES WAVELETS; DENSITY FUNCTIONAL ELECTRONIC STRUCTURE; DENSITY-FUNCTIONAL (DF); ELECTRONIC STRUCTURE CALCULATIONS; FOURIER SPACES; FREE SOFTWARE (FS); HIGHLY EFFICIENT; PARALLEL CALCULATIONS; PSEUDO POTENTIALS; SYSTEMATIC (CO);

PROBABILITY DENSITY FUNCTION;

EID: 46749147988     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2949547     Document Type: Article

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