Open AccessA general quantum chemical approach to study the locally perturbed periodic systems: A new development of the ab initio crystal elongation method
Author(s) -
Masaki Mitani,
Akira Imamura
Publication year - 1995
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 - 10.1063/1.470100
Subject(s) - ab initio , crystal (programming language) , electronic structure , molecular orbital , quantum , materials science , chemistry , molecule , chemical physics , statistical physics , computational chemistry , physics , quantum mechanics , computer science , programming language
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