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About the Difference Between Density Functionals Defined by Energy Criterion and Density Functionals Defined by Density Criterion: Exchange Functionals
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
2016 (English)In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 116, no 15, 1187-1189 p.Article in journal (Refereed) PublishedText
Abstract [en]

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.

Place, publisher, year, edition, pages
WILEY-BLACKWELL , 2016. Vol. 116, no 15, 1187-1189 p.
Keyword [en]
potential functional theory; exact exchange
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-130648DOI: 10.1002/qua.25155ISI: 000379892500007OAI: oai:DiVA.org:liu-130648DiVA: diva2:954265
Note

Funding Agencies|Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University [2009 00971]

Available from: 2016-08-22 Created: 2016-08-19 Last updated: 2016-08-22

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Finzel, Kati
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