Open AccessCommunication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure
Author(s) -
Tanner Culpitt,
Kurt R. Brorsen,
Sharon HammesSchiffer
Publication year - 2017
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 - 10.1063/1.4984777
Subject(s) - orthogonality , embedding , density functional theory , basis (linear algebra) , basis set , computer science , set (abstract data type) , mathematics , computational chemistry , statistical physics , topology (electrical circuits) , physics , chemistry , geometry , artificial intelligence , programming language , combinatorics
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