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Relations between DFT and CI approximation
Author(s) -
Künne L.
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)74:1<55::aid-qua6>3.0.co;2-l
Subject(s) - density functional theory , quantum chemical , computational chemistry , expression (computer science) , quantum , chemistry , quantum mechanics , physics , computer science , molecule , programming language
Relations between the two quantum chemical methods density functional theory (DFT) and configuration interaction (CI) are studied. As a result a new expression of the density functional based on CI approximation is presented. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 74: 55–58, 1999