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Vibrationally resolved electronic spectra
AH-FC: Adiabatic Hessian Franck-Condon
VG-FC: Vertical Gradient Franck-Condon
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Vibrationally resolved electronic spectra
Vibrationally resolved electronic spectra
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AH-FC: Adiabatic Hessian Franck-Condon
FCF module: Franck-Condon Factors
Theory
Algorithm
Input
Result: TAPE61
FCF example absorption and fluorescence
FCF Example phosphorescence
Density of States computed with AH-FC method
VG-FC: Vertical Gradient Franck-Condon
Theory
Theory: Vibronic-Structure Tracking
Theory: Vibronic-Structure Refinement
Theory: Adiabatic excitation energy
Input: Vibronic-Structure all modes
Input: Vibronic-Structure Tracking
Input: Restarting VST
Input: Vibronic-Structure Refinement
Input: Excited State
Input: Producing the spectrum