Continuous Representations in the Statistical Theory of Electronic Energies. The Self-Consistent Field
- 15 February 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (4), 1290-1293
- https://doi.org/10.1063/1.1696112
Abstract
A self‐consistent‐field approximation has been applied to the continuous‐representation version of statistical theory. Calculations have been carried out for He(3S and 1S), Be2+(1S), Be(1S), and Ne(1S). Binding energies are about 6% greater than experimental values. No shell structure in electron density was obtained, however, which reflects an inadequacy of the theory in approximating such properties. Nevertheless, the densities obtained gave relatively good estimates of the mean values of rn, −2≤n≤+2.Keywords
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