The becke fuzzy cells integration scheme in the amsterdam density functional program suite

Journal of Computational Chemistry

Volumn 34, Issue 21, 2013, Pages 1819-1827

  Franchini, Mirko ^a   Philipsen, Pierre Herman Theodoor ^a   Visscher, Lucas ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Amsterdam density functional program suite (ADF; Band); Becke grid; density functional theory; numerical quadrature; Voronoi grid

Indexed keywords

AMSTERDAM DENSITY FUNCTIONAL PROGRAMS; BAND); BECKE GRID; NUMERICAL QUADRATURE; VORONOI;

COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY;

CHEMISTRY;

EID: 84879555734     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23323     Document Type: Article

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