Accession Number:

AD0617035

Title:

GAUGE INVARIANCE OF THE HARTREE-FOCK APPROXIMATION,

Descriptive Note:

Corporate Author:

WISCONSIN UNIV MADISON THEORETICAL CHEMISTRY INST

Personal Author(s):

Report Date:

1964-10-16

Pagination or Media Count:

2.0

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

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Distribution Statement:

APPROVED FOR PUBLIC RELEASE