Novel Perturbation Theory in Simple LCAO Treatment of Conjugated Molecules—Method of Perturbed Secular Determinant
- 1 August 1959
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 31 (2), 287-293
- https://doi.org/10.1063/1.1730344
Abstract
A new method of perturbation theory is developed in the simple LCAO MO treatment of conjugated molecules. Several useful equations are derived, giving orbital energy, electron density, and bond order of the perturbed system.Keywords
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