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Title: FC-Fit
Authors: Krügler, Daniel
Schmitt, Michael
Keywords: Research Subject Categories::NATURAL SCIENCES
Research Subject Categories::NATURAL SCIENCES::Chemistry::Physical chemistry::Spectroscopy
Issue Date: 2022
Publisher: No
Abstract: FCfit is program for the simulation and fit of vibronic absorption and emission spectra based on the evaluation of relative Franck-Condon (FC) factors and/or Franck-Condon-Herzberg-Teller (FCHT) theory. The program computes the FC integrals of multidimensional, harmonic oscillators mainly based on the recursion formula given in the papers of Doktorov, Malkin, and Man’ko.
Appears in Collections:FCFit program

Files in This Item:
File Description SizeFormat 
FCfit.exe15.19 MBUnknownView/Open
TurboMol2ZmtHess.exe1.79 MBUnknownView/Open
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