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About the difference between density functionals defined by energy criterion and density functionals defined by density criterion: Exchange functionals
Author(s) -
Finzel Kati
Publication year - 2016
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/qua.25155
Subject(s) - orbital free density functional theory , yield (engineering) , energy density , hybrid functional , mathematics , energy (signal processing) , density functional theory , statistical physics , physics , quantum mechanics , thermodynamics , theoretical physics , statistics
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. © 2016 Wiley Periodicals, Inc.