ISSN:
1434-6079
Keywords:
36.40
;
71.70.G
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract Hartree-Fock calculations are done for finite number of valence electrons (8, 20, 40, and 58) in a positively charged uniform background (jellium) with the density of bulk sodium. Differences and similarities with the results of Kohn-Sham local-density calculations are discussed. State-dependence and suppression of the wave functions are the two important effects coming from the nonlocality of the Hartree-Fock potential. These two effects, however, cancel in the density profile of electrons. The Kohn-Sham calculations consequently produce similar density profiles as in the Hartree-Fock calculations. The dipole polarizability is also calculated for 8-mers. The calculated value is still smaller than the measured one and is not an improvement of the insufficient Kohn-Sham result.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01437457
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