Dirac-Fock atomic electronic structure calculations using different nuclear charge distributions
作者： L. Visscher , K.G. Dyall
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摘要: Abstract Numerical Hartree–Fock calculations based on the Dirac–Coulomb Hamiltonian for first 109 elements of periodic table are presented. The results give total electronic energy, as a function nuclear model that is used, four different models charge distribution. main purpose to provide set benchmark basis use finite size model.
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