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The Journal of Chemical Physics
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Analytical Hartree-Fock functions for positive ions from lithium to xenon

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Abstract

Analytical wavefunctions in the Hartree-Fock approximation are computed with Slater type functions for the ground state of the lowest electronic configuration for the first positive ions from Li+ (Z=3) to Xe + (Z=54). Only the computed total energies are reported here and discussed (however, the basis sets, the expansion coefficients, and the orbital energies are made available elsewhere). Copyright © 1974 American Institute of Physics.

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The Journal of Chemical Physics

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