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Franck-Condon Analysis in OMCs by JabedA.Mohammed is a document available to read on EtoBox.
What is Franck-Condon Analysis in OMCs about?
The document outlines the process for calculating Franck-Condon factors and absorption spectra for organic molecular complexes (OMCs) using time-dependent density functional theory (TDDFT). It details the steps for optimizing ground and excited states, computing natural transition orbitals, and obtaining Franck-Condon factors for both absorption and emission spectra. The conclusions emphasize the significance of vibrational effects in excited states, particularly in π→π* transitions.
- Author
- JabedA.Mohammed
- Language
- EN