Abstract
Abstract The Ruedenberg type formula relating the total molecular energy to the sum of orbital energies is examined by using SCC-MO and ab initio DZ MO eigenvalues. Comparison with rigorous ab initio DZ energy expectation values indicates that Ruedenberg’s formula in its original form can not provide semiquantitative information on molecular energetics. Much more promissing in this respect is the electrostatic potential at the nuclei approach of Politzer and Parr.
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