Exchange-correlation potentials for spin-polarized systems at finite temperatures
- 1 January 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 33 (1) , 490-497
- https://doi.org/10.1103/physreva.33.490
Abstract
The exchange and correlation contributions to the thermodynamic free energy and the corresponding exchange-correlation potential () are evaluated for a spin-polarized electron gas over a wide range of temperatures and densities. The exchange-correlation potential is parameterized for easy usage in local-spin-density calculations. The result indicates that for t≤0.15 (t=T/), the temperature dependence of is negligibly small. The effects of the spin polarization are most significant for t<3. Our results for for an unpolarized system agree well with those of a previous calculation by Perrot and Dharma-wardana.
Keywords
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