Position dependence of the exchange hole in atoms and ions
Conference
·
· Int. J. Quant. Chem., Symp., no. 9, pp. 123-128
OSTI ID:4071131
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. (auth)
- Research Organization:
- Univ. of Maine, Orono
- NSA Number:
- NSA-33-021249
- OSTI ID:
- 4071131
- Conference Information:
- Journal Name: Int. J. Quant. Chem., Symp., no. 9, pp. 123-128
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
*ARGON-- ELECTRONIC STRUCTURE
*NEON-- ELECTRONIC STRUCTURE
*SODIUM-- ELECTRONIC STRUCTURE
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
HARTREE-FOCK METHOD
N60500* --Physics (Atomic & Molecular)--Atomic Theory
N76100 --Physics (Theoretical)--General
QUANTUM MECHANICS
SLATER METHOD
SPIN EXCHANGE
*NEON-- ELECTRONIC STRUCTURE
*SODIUM-- ELECTRONIC STRUCTURE
640305* --Physics Research--Atomic
Molecular & Chemical Physics--Atomic & Molecular Theory
HARTREE-FOCK METHOD
N60500* --Physics (Atomic & Molecular)--Atomic Theory
N76100 --Physics (Theoretical)--General
QUANTUM MECHANICS
SLATER METHOD
SPIN EXCHANGE