An approximate treatment of intra-atomic correlation in Hartree-Fock calculations: the Hg2(X1Σg+) potential
- 11 November 1977
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 10 (16) , L583-L587
- https://doi.org/10.1088/0022-3700/10/16/001
Abstract
Atomic and molecular properties dependent on the valence electrons are sensitive to intra-atomic correlation effects, and these tend to be largest in atoms of high atomic number where accurate ab initio computations are difficult. A simple model potential method is proposed for including correlation effects in Hartree-Fock calculations. Application is made to an electron-gas computation of the Hg2(X1 Sigma g+) potential.Keywords
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