A simple effective potential for exchange
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- 9 June 2006
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 124 (22), 221101
- https://doi.org/10.1063/1.2213970
Abstract
The optimized effective potential (OEP) for exchange was introduced some time ago by Sharp and Horton [Phys. Rev.90, 317 (1953)] and by Talman and Shadwick [Phys. Rev. A14, 36 (1976)]. The integral equation for the OEP is difficult to solve, however, and a variety of approximations have therefore been proposed. These are explicitly orbital dependent and require the same two-electron integrals as Hartree-Fock theory. We have found a remarkably simple approximate effective potential that closely resembles the Talman-Shadwick potential in atoms. It depends only on total densities and requires no two-electron integrals.Keywords
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