On the Dependence of Total Energy on Occupation Numbers
- 1 January 1980
- journal article
- research article
- Published by Wiley in Israel Journal of Chemistry
- Vol. 19 (1-4) , 209-214
- https://doi.org/10.1002/ijch.198000022
Abstract
An equation is developed for describing the pairwise interactions of q electrons, when q is integer or non‐integer. This expression is compared with the usual equation. It is found to give lower total energies, different ionization and transition energies in the Slater Transition State theory, different values for the atomic energies calculated by the Hyper‐Hartree–Fock method, but numerically identical results for the Mulliken Electronegativity.Keywords
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