Free-Electron Network Model for Conjugated Systems. V. Energies and Electron Distributions in the FE MO Model and in the LCAO MO Model
- 1 November 1954
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 22 (11), 1878-1894
- https://doi.org/10.1063/1.1739935
Abstract
A comparative study is made of the LCAO MO model (including overlap) and the FE MO model. Energies and electronic distributions are examined and the concepts ``atom population'' and ``bond population'' are analyzed. A close correspondence is found to exist between the two theories.Keywords
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