
Accession Number : AD0474966
Title : PARTIALLY UNRESTRICTED HARTREEFOCK CALCULATIONS OF LIGHT ATOMS,
Corporate Author : ARMY MISSILE RESEARCH DEVELOPMENT AND ENGINEERING LAB REDSTONE ARSENAL AL PHY SICAL SCIENCES DIRECTORATE
Personal Author(s) : Perkins, J. F.
Report Date : 05 OCT 1965
Pagination or Media Count : 21
Abstract : Iterative solution of Partially Unrestricted HartreeFock (PUHF) equations for light atoms (N = 2 to 7) and the negative carbon ion resulted in radial functions independent of M sub L and M sub S except where this is clearly inconsistent with the form of the variational equations (spinpolarization for M sub S unequal to 0). Multiple solutions of PUHF equations exist for artificial cases of nonintegral Z (slightly above Z of negative ion) for N = 2 and 4. (Author)
Descriptors : (*ATOMIC ORBITALS, WAVE FUNCTIONS), BORON, CARBON, NITROGEN, ITERATIONS, ELECTRON TRANSITIONS, POLARIZATION, SPINNING(MOTION), ENERGY, EQUATIONS.
Subject Categories : Quantum Theory and Relativity
Distribution Statement : APPROVED FOR PUBLIC RELEASE