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Molecular Orbital Method and Molecular Ionization Potentials
Phys. Rev. 74, 736 – Published 1 October, 1948
DOI: https://doi.org/10.1103/PhysRev.74.736
Abstract
(1) Empirical evidence indicates that, other things being equal, the atomic integral of the LCAO molecular orbital method decreases in magnitude, (a), with increasing interatomic distance, (b), with increase in the number of atoms covered by a MO.
(2) Theoretical computations give a satisfactory account of effect (a), and (except for the absolute values of in many-center cases) also of effect (b).
(3) It is reasonable to hope that further study of theoretical approximation methods of the MO type will make possible an increasingly quantitative theoretical understanding of molecular ionization potentials and of other molecular properties.
References (6)
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- Reported at international colloquium on "Theory of Chemical Binding" held at Paris April 12-16, 1948 To be published in part in J. de Chimie Physique (1948)
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