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Journal of Computational Chemistry|October 15, 2021
Advances in vibrational configuration interaction theory - part 1: Efficient calculation of vibrational angular momentum termsTina Mathea, Guntram RauhutThe Journal of Chemical Physics|May 7, 2022
Comparison of body definitions for incremental vibrational configuration interaction theory (iVCI)Benjamin Schröder, 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|July 10, 2009
Modeling of high-order many-mode terms in the expansion of multidimensional potential energy surfaces: application to vibrational spectraGuntram Rauhut, Bernd HartkeThe Journal of Chemical Physics|April 3, 2021
Incremental vibrational configuration interaction theory, iVCI: Implementation and benchmark calculationsBenjamin Schröder, Guntram RauhutThe Journal of Chemical Physics|June 4, 2024
VSCF/VCI theory based on the Podolsky HamiltonianMoritz Schneider, Guntram RauhutThe Journal of Chemical Physics|December 24, 2015
Time-independent eigenstate-free calculation of vibronic spectra beyond the harmonic approximationTaras Petrenko, Guntram RauhutThe Journal of Chemical Physics|December 22, 2022
Convergence of series expansions in rovibrational configuration interaction (RVCI) calculationsMartin Tschöpe, Guntram RauhutThe Journal of Chemical Physics|July 8, 2026
Optimized curvilinear coordinates in vibration correlation methods: Quasi-degenerate perturbation theoryAndrey Yachmenev, Guntram RauhutThe Journal of Chemical Physics|April 8, 2010
Vibrational multiconfiguration self-consistent field theory: implementation and test calculationsSandra Heislbetz, Guntram RauhutPageof 21