Abstract
A simple generalization of the free electron model is suggested for describing the heteroatomic conjugate molecules and obtaining analytical equations for the energy levels of these systems. The δ-like potential is used as a potential of a heteroatom in this model, and the energy levels are obtained as corrections for first order perturbation theory.
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Original Russian Text Copyright © 2009 by G. B. Litinskii and V. E. Krikunova
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Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 6, pp. 1078–1083, November–December, 2009.
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Litinskii, G.B., Krikunova, V.E. FRee electron model for heteroatomic conjugate molecules. J Struct Chem 50, 1029–1034 (2009). https://doi.org/10.1007/s10947-009-0152-6
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DOI: https://doi.org/10.1007/s10947-009-0152-6