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Most Cited Journal Articles 2002-Chemistry

Following is a CAS database record representing a highly cited journal article.

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CAS subject entries for this document include: Spin, electronic; Electron gas; Correlation energy .

CAPLUS COPYRIGHT 2003 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:	Canadian Journal of Physics (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.

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