Accession Number : AD0602282

Title :   CORRELATION ENERGY OF TWO-ELECTRON SYSTEMS,

Corporate Author : WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Personal Author(s) : Rosenfeld,Jean L. J. ; Konowalow,Daniel D.

Report Date : 10 JUN 1964

Pagination or Media Count : 20

Abstract : Correlated closed-shell and open-shell functions (due to Roothaan and Weiss) are analyzed in terms of a 1/Z expansion to obtain the corresponding first order wave functions and the second order energy. The need for expanding the open-shell functions in powers of Z to the minus 1/2 power is demonstrated. The contributions to the second order energy from radial and angular correlation are estimated. (Author)

Descriptors :   (*ATOMIC ORBITALS, WAVE FUNCTIONS), ATOMIC ENERGY LEVELS, FUNCTIONS(MATHEMATICS), CORRELATION TECHNIQUES, QUANTUM THEORY, FIELD THEORY, HELIUM, ELECTRONS

Distribution Statement : APPROVED FOR PUBLIC RELEASE