Open AccessCommunication: Singularity-free hybrid functional with a Gaussian-attenuating exact exchange in a plane-wave basis
Author(s) -
Jong-Won Song,
Giacomo Giorgi,
Koichi Yamashita,
Kimihiko Hirao
Publication year - 2013
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4811775
Subject(s) - hybrid functional , gaussian , plane wave , basis (linear algebra) , wave function , basis function , singularity , coulomb , physics , density functional theory , quantum mechanics , plane (geometry) , function (biology) , statistical physics , mathematical analysis , mathematics , geometry , electron , evolutionary biology , biology
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