Accession Number : AD0617035

Title :   GAUGE INVARIANCE OF THE HARTREE-FOCK APPROXIMATION,

Corporate Author : WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Personal Author(s) : Epstein,Saul T.

Report Date : 16 OCT 1964

Pagination or Media Count : 2

Abstract : (i) Gauge invariance in the presence of nonlocal potentials is reviewed. It is shown that the uncoupled Hartree-Fock method is not gauge invariant. (ii) Gauge invariance of variational calculations is reviewed and it is shown that the coupled Hartree-Fock approximation is gauge invariant. (iii) A procedure for choosing a best gauge is suggested and in a special case is shown to reduce to a method recently proposed by Karplus and Kolker. (Author)

Descriptors :   (*INVARIANCE, POTENTIAL THEORY), (*POTENTIAL THEORY, INVARIANCE), (*ATOMIC ENERGY LEVELS, POTENTIAL THEORY), CALCULUS OF VARIATIONS, PERTURBATION THEORY, TRANSFORMATIONS(MATHEMATICS)

Distribution Statement : APPROVED FOR PUBLIC RELEASE