Daubechies wavelets for linear scaling density functional theory

Journal of Chemical Physics

Volumn 140, Issue 20, 2014, Pages

  Mohr, Stephan ^a,b,d   Ratcliff, Laura E ^b,d   Boulanger, Paul ^b,c,d   Genovese, Luigi ^b,d   Caliste, Damien ^b,d   Deutsch, Thierry ^b,d   Goedecker, Stefan ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

^b UNIV GRENOBLE ALPES   (France)

^c CNRS   (France)

^d CEA GRENOBLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY;

COMPUTATIONAL COSTS; COMPUTATIONAL RESOURCES; COMPUTATIONAL SAVINGS; GEOMETRY OPTIMIZATION; GROUND-STATE ENERGIES; KOHN-SHAM ORBITALS; NUMBER OF ELECTRONS; OPTIMIZATION PROCEDURES;

DISCRETE WAVELET TRANSFORMS;

EID: 84901768563     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4871876     Document Type: Article

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