Accession Number : AD0739656

Title :   Correlation and Exchange Contributions to the Charge Density Variations of an Electron Gas in the Metallic Range,

Corporate Author : NATIONAL RESEARCH COUNCIL OF CANADA OTTAWA (ONTARIO) DIV OF PHYSICS

Personal Author(s) : Geldart,D. J. W. ; Rasolt,Mark ; Taylor,Roger

Report Date : 02 NOV 1971

Pagination or Media Count : 8

Abstract : The Hohenberg-Kohn-Sham gradient expansion of the correlation and exchange potential for an electron gas has been investigated at metallic densities. To fourth order, the authors have evaluated the coefficients, corresponding to linear response theory, from recent calculations of the dielectric function. It was found that these coefficients show a substantial density variation. The results also show that, for rapidly varying external potentials, better estimates are obtained for the charge density by using the local density approximation than by truncating the gradient expansion at low order. (Author)

Descriptors :   (*BAND THEORY OF SOLIDS, METALS), APPROXIMATION(MATHEMATICS), NUMERICAL ANALYSIS, CANADA

Subject Categories : Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE