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Relativistic exchange approximation study for He, Ne, Ar, Kr and Xe
Author(s) -
Euwema R. N.,
Stukel D. J.
Publication year - 2009
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.560050705
Subject(s) - local density approximation , atomic physics , physics , electron , quantum mechanics , chemistry , electronic structure
Calculational results are presented for the restricted Hartree‐Fock method, the Slater‐Kohn‐Sham‐Gaspar X α approximations, Herman and coworkers density gradient X αβ approximation, and Liberman's free electron gas X L approximation. The most satisfactory atomic exchange approximation is found to be the density gradient method of Herman and coworkers.