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

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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.

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Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Den kondenserade materiens fysik
Originalspråkengelska
Sidor (från-till)1629-1642
TidskriftJournal of Physics C: Solid State Physics
Volym5
Utgåva nummer13
StatusPublished - 1972
PublikationskategoriForskning
Peer review utfördJa