Open AccessComparison of approximations in density functional theory calculations: Energetics and structure of binary oxides
Author(s) -
Yoyo Hinuma,
Hiroyuki Hayashi,
Yu Kumagai,
Isao Tanaka,
Fumiyasu Oba
Publication year - 2017
Publication title -
physical review. b./physical review. b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.78
H-Index - 465
eISSN - 2469-9969
pISSN - 2469-9950
DOI - 10.1103/physrevb.96.094102
Subject(s) - physics , van der waals force , density functional theory , crystallography , crystal structure , crystal (programming language) , condensed matter physics , quantum mechanics , chemistry , molecule , computer science , programming language