CALCULATIONS ON $F^{-}$, Ne, AND $NA^{+}$ GROUND STATES
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Date
1961
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Ohio State University
Abstract
Wavefunctions are calculated for the ground states of these ions using the method of configuration interaction. The first configuration was made up of orbitals which were analytic fits to the Hartree Fock functions for these ions. Ten configurations were introduced which provided correlation among the outer shell electrons. Two configurations were included to allow modification of the 2s and 2p electrons. The improvement in the energy was about half the total correlation energy. The method of configuration interaction was then used to locate sets of 5 and 8 excited states of $^{1}P$ symmetry. These were used to make calculations of the polarizability and London Force Coefficients, using both H.F. and C.I. functions for the ground state.
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Author Institution: IBM Research Dept., Watson Laboratory