The total Hartree-Fock energy-eigenvalue sum relationship in atoms

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, , Citation K D Sen 1979 J. Phys. B: Atom. Mol. Phys. 12 L287 DOI 10.1088/0022-3700/12/10/001

0022-3700/12/10/L287

Abstract

Using the well known relationships for the isoelectronic changes in the total Hartree-Fock energy, nucleus-electron attraction energy and electron-electron repulsion energy in atoms a simple polynomial expansion in Z is obtained for the sum of eigenvalues which can be used to calculate the total Hartree-Fock energy. Numerical results are presented for 2-10 electron series to show that the present relationship is a better approximation than the other available energy-eigenvalue relationships.

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10.1088/0022-3700/12/10/001