A local exchange-correlation potential for the spin polarized case: I
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/8777222
- author
- von Barth, Ulf LU and Hedin, Lars LU
- organization
- publishing date
- 1972
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physics C: Solid State Physics
- volume
- 5
- issue
- 13
- pages
- 1629 - 1642
- publisher
- IOP Publishing
- external identifiers
-
- scopus:5444237332
- language
- English
- LU publication?
- yes
- id
- d708ea4e-b296-4065-a471-c6f480e1d50e (old id 8777222)
- date added to LUP
- 2016-04-04 14:41:43
- date last changed
- 2021-10-10 04:32:12
@article{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 = {{IOP Publishing}}, series = {{Journal of Physics C: Solid State Physics}}, title = {{A local exchange-correlation potential for the spin polarized case: I}}, volume = {{5}}, year = {{1972}}, }