ÉTUDE THÉORIQUE DES PERTURBATIONS HOMOGÈNES : I. APPLICATION AUX INTERACTIONS Π–Π ET Δ–Δ DE NO
- 1 August 1966
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Physics
- Vol. 44 (8) , 1677-1683
- https://doi.org/10.1139/p66-142
Abstract
A theoretical interpretation of homogeneous perturbations is proposed for the case of two electronic excited states that differ strongly in electron configuration. The interaction parameter H can be expressed in terms of the vibrational overlap integral and the electrostatic interaction between the two states. In the case of the Π–Π and Δ–Δ interactions in the spectrum of the NO molecule, a semi-empirical calculation of this parameter is made, using Morse functions for the vibrational part and the LCAO-MO SCF function for the electronic part. The comparison with the "experimental" values given by Lagerqvist and Miescher supports this interpretation.Keywords
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