Open AccessCommunication: A new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue–Burke–Ernzerhof)
Author(s) -
JongWon Song,
Koichi Yamashita,
Kimihiko Hirao
Publication year - 2011
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 - 10.1063/1.3628522
Subject(s) - hybrid functional , gaussian , density functional theory , attenuation , band gap , range (aeronautics) , periodic boundary conditions , physics , computational physics , materials science , condensed matter physics , quantum mechanics , boundary value problem , composite material
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