Showing results (1-10 of 92) with videos related to
Sort By:
Pageof 10
The Journal of Physical Chemistry. A|September 8, 2011
Anharmonic frequencies of CX2Y2 (X, Y = O, N, F, H, D) isomers and related systems obtained from vibrational multiconfiguration self-consistent field theoryFlorian Pfeiffer, Guntram RauhutThe Journal of Chemical Physics|February 18, 2014
Multi-reference vibration correlation methodsFlorian Pfeiffer, Guntram RauhutThe Journal of Chemical Physics|June 7, 2011
Configuration selection within vibrational multiconfiguration self-consistent field theory: application to bridged lithium compoundsSandra Heislbetz, Florian Pfeiffer, Guntram RauhutThe Journal of Chemical Physics|January 3, 2016
Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approachesPatrick Meier, Dominik Oschetzki, Florian Pfeiffer, et al.The Journal of Chemical Physics|February 8, 2013
Anharmonic zero point vibrational energies: tipping the scales in accurate thermochemistry calculations?Florian Pfeiffer, Guntram Rauhut, David Feller, et al.Journal 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 RauhutThe Journal of Physical Chemistry. A|September 30, 2015
Anharmonic Franck-Condon Factors for the X̃(2)B1 ← X̃(1)A1 Photoionization of KeteneGuntram RauhutThe Journal of Chemical Physics|April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximationsRaghunathan Ramakrishnan, Guntram RauhutPageof 10