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The Journal of Chemical Physics|April 8, 2017
A new efficient method for the calculation of interior eigenpairs and its application to vibrational structure problemsTaras Petrenko, Guntram RauhutJournal of Chemical Theory and Computation|September 23, 2017
A General Approach for Calculating Strongly Anharmonic Vibronic Spectra with a High Density of States: The X̃2B1 ← X̃1A1 Photoelectron Spectrum of DifluoromethaneTaras Petrenko, Guntram RauhutThe Journal of Chemical Physics|March 23, 2020
Account of non-Condon effects in time-independent Raman wavefunction theory: Calculation of the S1← S0 vibronic absorption spectrum of formaldehydeTaras Petrenko, Guntram RauhutThe Journal of Chemical Physics|February 10, 2018
Refined analysis of the X̃ 2A2←X̃ 1A1 photoelectron spectrum of furanTaras Petrenko, Guntram RauhutThe Journal of Chemical Physics|December 24, 2015
Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximationTaras Petrenko, Guntram RauhutJournal of Computational Chemistry|October 15, 2021
Advances in vibrational configuration interaction theory - part 2: Fast screening of the correlation spaceTina Mathea, Taras Petrenko, Guntram RauhutThe Journal of Physical Chemistry. A|January 22, 2021
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of AlleneTina Mathea, Taras Petrenko, Guntram RauhutJournal of Computational Chemistry|April 8, 2026
Spectroscopic Investigation of Thioacrolein by Variational and Perturbational ApproachesGuntram RauhutThe Journal of Chemical Physics|November 13, 2004
Efficient calculation of potential energy surfaces for the generation of vibrational wave functionsGuntram RauhutThe Journal of Chemical Physics|November 21, 2007
Configuration selection as a route towards efficient vibrational configuration interaction calculationsGuntram RauhutPageof 11