Accession Number : AD0649938

Title :   ELECTRONIC STRUCTURE FROM THE STANDPOINT OF THE INHOMOGENEOUS ELECTRON GAS.

Descriptive Note : Technical rept.,

Corporate Author : CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS

Personal Author(s) : Kohn,W.

Report Date : 01 MAR 1967

Pagination or Media Count : 15

Abstract : A new theory of electronic structure, developed recently by Hohenberg, Kohn, Sham and Tong is briefly outlined. This theory was used to make a parameter-free calculation of metallic Na, without use of semi-empirical ionic potentials or of scattering phase shifts derived from atomic spectra. The results for the lattice parameter and bulk modulus are about as accurate as those obtained by earlier, semi-empirical methods. It is hoped that this method will also be useful for the calculation of mechanical and thermodynamic properties of other metals and alloys. (Author)

Descriptors :   (*BAND THEORY OF SOLIDS, METALS), (*SODIUM, BAND THEORY OF SOLIDS), ELECTRONS, THEORY, IONIZATION POTENTIALS, CRYSTAL LATTICES, MECHANICAL PROPERTIES, THERMODYNAMICS

Subject Categories : Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE