On the systematic behaviour of certain Hartree-Fock expectation values
- 14 November 1978
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 11 (21) , L655-L658
- https://doi.org/10.1088/0022-3700/11/21/002
Abstract
It is observed that as Z to infinity , (1/r1) in the Hartree-Fock approximation becomes linear in Z for the two- through to ten-electron sequences. The same effect is observed for (1/r12). By use of the virial theorem, the systematic behaviour of (1/r1) and (1/r12) is used to derive an expression for the difference between the total Hartree-Fock energies of two isoelectronic ions whose atomic numbers differ by one. The resulting expression is shown to be equivalent, at large Z, to one derived from the 1/Z perturbation treatment of the Hartree-Fock equations.Keywords
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