Abstract
AbstractThe problem considered is that of selecting the finite orbital basis which will minimize the energy in a given size CI calculation. (1) A one‐body operator is defined which has as eigenfunctions the desired optimal basis. The operator is defined in terms of the basis which leads to a self‐consistency problem of Hartree‐Fock type. (2) A method of successive orbital rotations is defined which is shown to have desirable convergence properties.
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