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About the Difference Between Density Functionals Defined by Energy Criterion and Density Functionals Defined by Density Criterion: Exchange Functionals
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- Finzel, Kati (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
- (creator_code:org_t)
- 2016-05-09
- 2016
- English.
- In: International Journal of Quantum Chemistry. - : WILEY-BLACKWELL. - 0020-7608 .- 1097-461X. ; 116:15, s. 1187-1189
- Journal article (peer-reviewed)
Abstract
Subject headings
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- The difference between density functionals defined by energy criterion and density functionals defined by density criterion is studied for the exchange functional. It is shown that Slater potentials are exact exchange potentials in the sense that they yield the Hartree-Fock electron density if all operators are given by local expressions. (C) 2016 Wiley Periodicals, Inc.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- potential functional theory; exact exchange
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- ref (subject category)
- art (subject category)
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