most citedFranck-Condon spectra of unbound and imaginary-frequency vibrations via correlation functions: a branch-cut free, numerically stable derivation

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physics.chem-ph2022★ 7 cited

Franck-Condon spectra of unbound and imaginary-frequency vibrations via correlation functions: a branch-cut free, numerically stable derivation

P. Bryan Changala, Nadav Genossar, Joshua H. Baraban

Molecular electronic spectra can be represented in the time domain as auto-correlation functions of the initial vibrational wavepacket. We present a derivation of the harmonic vibr…