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A local exchange-correlation potential for the spin polarized case: I

von Barth, Ulf LU and Hedin, Lars LU (1972) In Journal of Physics C: Solid State Physics 5(13). p.1629-1642
Abstract
The local density theory is developed by Hohenberg, Kohn and Sham is extended to the spin polarized case. A spin dependent one- electron potential pertinent to ground state properties is obtained from calculations of the total energy per electron made with a `bubble' (or random phase) type of dielectric function. The potential is found to be well represented by an analytic expression corresponding to a shifted and rescaled spin dependent Slater potential. To test this potential the momentum dependent spin susceptibility of an electron gas is calculated. The results compare favourably with available information from other calculations and from experiment. The potential obtained in this paper should be useful for split band calculations of... (More)
The local density theory is developed by Hohenberg, Kohn and Sham is extended to the spin polarized case. A spin dependent one- electron potential pertinent to ground state properties is obtained from calculations of the total energy per electron made with a `bubble' (or random phase) type of dielectric function. The potential is found to be well represented by an analytic expression corresponding to a shifted and rescaled spin dependent Slater potential. To test this potential the momentum dependent spin susceptibility of an electron gas is calculated. The results compare favourably with available information from other calculations and from experiment. The potential obtained in this paper should be useful for split band calculations of magnetic materials. (Less)
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author
organization
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type
Contribution to journal
publication status
published
subject
in
Journal of Physics C: Solid State Physics
volume
5
issue
13
pages
1629 - 1642
publisher
Institute of Physics
external identifiers
  • Scopus:5444237332
language
English
LU publication?
yes
id
d708ea4e-b296-4065-a471-c6f480e1d50e (old id 8777222)
date added to LUP
2016-03-04 09:08:08
date last changed
2016-12-04 04:49:48
@misc{d708ea4e-b296-4065-a471-c6f480e1d50e,
  abstract     = {The local density theory is developed by Hohenberg, Kohn and Sham is extended to the spin polarized case. A spin dependent one- electron potential pertinent to ground state properties is obtained from calculations of the total energy per electron made with a `bubble' (or random phase) type of dielectric function. The potential is found to be well represented by an analytic expression corresponding to a shifted and rescaled spin dependent Slater potential. To test this potential the momentum dependent spin susceptibility of an electron gas is calculated. The results compare favourably with available information from other calculations and from experiment. The potential obtained in this paper should be useful for split band calculations of magnetic materials.},
  author       = {von Barth, Ulf and Hedin, Lars},
  language     = {eng},
  number       = {13},
  pages        = {1629--1642},
  publisher    = {ARRAY(0x9313328)},
  series       = {Journal of Physics C: Solid State Physics},
  title        = {A local exchange-correlation potential for the spin polarized case: I},
  volume       = {5},
  year         = {1972},
}