Following is a CAS database record representing a highly cited journal article.
|
| CAS subject entries for this document include: Spin, electronic; Electron gas; Correlation energy . | |
CAPLUS COPYRIGHT 2002 ACS
| TITLE:
| Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis |
| AUTHOR(S):
| Vosko, S. H.; Wilk, L.; Nusair, M. |
| CORPORATE SOURCE:
| Dep. Phys., Univ. Toronto, Toronto, ON, M5S 1A7, Can. |
| SOURCE:
| Can. J. Phys. (1980), 58(8), 1200-11 CODEN: CJPHAD; ISSN: 0008-4204 |
| PUBLISHER:
| National Research Council of Canada |
| LANGUAGE:
| English |
ABSTRACT:
Various approx. forms for the correlation energy per particle of the spin-polarized homogeneous electron gas that have frequently been used in applications of the local spin d. approxn. to the exchange-correlation energy functional are assessed. By accurately recalcg. the RPA correlation energy as a function of electron d. and spin polarization, the inadequacies of the usual approxn. for interpolating between the para- and ferro-magnetic states are demonstrated and an accurate new interpolation formula is presented. A Pade approximant technique was used to accurately interpolate the recent Monte Carlo results. These results can be combined with the RPA spin-dependence so as to produce a correlation energy for a spin-polarized homogeneous electron gas with an estd. max. error of 1 mRy and thus should reliably det. the magnitude of non-local corrections to the local spin d. approxn. in real systems.
View the full-text pdf document from National Research Council of Canada, a participating ChemPort publisher.
Updated 4/10/2007 9:00:20 AM
