Hartree‐like methods in electronic structure theory

We consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one‐electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation‐energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.