Approximating Two-Electron Atomic Energies Using Scaled Eigenfunctions : Semiempirical Coulomb-Repulsion Integrals
- 1 October 1962
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (7) , 1414-1417
- https://doi.org/10.1063/1.1733298
Abstract
If all electron coordinates in an exact atomic eigenfunction are multiplied by a scaling factor, the kinetic, potential and total energies are modified. Exact equations are derived for these changes. The one‐electron energy for a two‐electron atom is approximated using scaled one‐electron eigenfunctions leading to a semiempirical estimate of the (1s1s:1s1s) Coulomb‐repulsion integral. Finally, two‐electron atomic energies are approximated using scaled eigenfunctions for the corresponding one‐electron atom and a two‐electron atom of different nuclear charge.Keywords
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