Generalized Analytic Approach for Determination of Multidimensional Franck-Condon Factors: Simulated Photoelectron Spectra of Polynuclear Aromatic Hydrocarbons.
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DOI: 10.1021/acs.jctc.0c00274
Abstract: An enhanced generalized analytic approach for determination of multidimensional Franck-Condon Factors (FCFs) enables efficient computational prediction of photoelectron spectra for large-dimensional systems. Incorporation of the automated assignment of Cartesian coordinate handedness and coordinate superposition between… read more here.
Keywords: approach determination; photoelectron spectra; determination; generalized analytic ... See more keywords