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Abstract The theoretical justification of the model potential method is studied in some detail. The correct equations within the framework of Roothaan's open‐shell scheme are derived and the approximations necessary to get a workable method are discussed. Analysis of the local part of the model potential suggests a new analytical form for it. The new expression is theoretically more consistent than the original one, and it can be determined in a more straightforward way. A basis set approximation, which is particularly suitable for approximate evaluation of two‐electron integrals when only valence orbitals are involved, is discussed and tested with encouraging results. The ideas are tested on the Fe and I atoms.
Höujer et al. (Wed,) studied this question.
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