A local exchangecorrelation potential for the spin polarized case: I
(1972) In Journal of Physics C: Solid State Physics 5(13). p.16291642 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:
http://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
 Institute of Physics
 external identifiers

 Scopus:5444237332
 language
 English
 LU publication?
 yes
 id
 d708ea4eb2964065a471c6f480e1d50e (old id 8777222)
 date added to LUP
 20160304 09:08:08
 date last changed
 20160416 12:52:37
@misc{d708ea4eb2964065a471c6f480e1d50e, 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 = {16291642}, publisher = {ARRAY(0x8e73d40)}, series = {Journal of Physics C: Solid State Physics}, title = {A local exchangecorrelation potential for the spin polarized case: I}, volume = {5}, year = {1972}, }