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Position dependence of the exchange hole in atoms and ions
Author(s) -
Csavinszky P.
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.560090818
Subject(s) - electron , radius , spin (aerodynamics) , atom (system on chip) , atomic physics , electron exchange , position (finance) , ion , exchange interaction , physics , chemistry , condensed matter physics , quantum mechanics , ferromagnetism , computer science , economics , thermodynamics , computer security , finance , embedded system
In the Hartree—Fock equations, as simplified by Slater, each electron is assumed to be acted upon by an exchange potential. The exchange potential, for an electron of a given spin, can be expressed in terms of the radius of the exchange hole surrounding the electron in question. This paper reports a simple calculation on the position dependence of the exchange hole radius in the Ne and Ar atoms, where there are equal numbers of spin‐up and spin‐down electrons, and in the Na atom, where the numbers of the spin‐up and spin‐down electrons differ by 1.