Kanhere, D. G. ; Panat, P. V. ; Rajagopal, A. K. ; Callaway, J. (1986) Exchange-correlation potentials for spin-polarized systems at finite temperatures Physical Review A, 33 (1). pp. 490-497. ISSN 1050-2947
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Official URL: http://pra.aps.org/abstract/PRA/v33/i1/p490_1
Related URL: http://dx.doi.org/10.1103/PhysRevA.33.490
Abstract
The exchange and correlation contributions to the thermodynamic free energy and the corresponding exchange-correlation potential (Vxcσ) 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/TF), the temperature dependence of Vxcσ is negligibly small. The effects of the spin polarization are most significant for t<3. Our results for Vxc for an unpolarized system agree well with those of a previous calculation by Perrot and Dharma-wardana.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 16266 |
| Deposited On: | 15 Nov 2010 13:57 |
| Last Modified: | 03 Jun 2011 08:40 |
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