Semi-classical calculation of molecular absorption and fluorescence spectra. Parameterization of the BO surfaces. Electro-negativity equalization principle. Fitting the BO surfaces in polyatomic molecules. An application: the absorption and fluorescence spectrum of formaldehyde
Modeling the solvent effect in electronic transitions / P. Procacci; M. Souaille. - STAMPA. - (1998), pp. 759-778.
Modeling the solvent effect in electronic transitions
PROCACCI, PIERO;
1998
Abstract
Semi-classical calculation of molecular absorption and fluorescence spectra. Parameterization of the BO surfaces. Electro-negativity equalization principle. Fitting the BO surfaces in polyatomic molecules. An application: the absorption and fluorescence spectrum of formaldehyde
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