http://dx.doi.org/10.25838/d5p-33
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. |
URI: | https://researchdata.hhu.de/handle/entry/117 http://dx.doi.org/10.25838/d5p-33 |
Appears in Collections: | FCFit program |
File | Description | Size | Format | |
---|---|---|---|---|
FCfit.exe | 15.19 MB | Unknown | View/Open | |
TurboMol2ZmtHess.exe | 1.79 MB | Unknown | View/Open |
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