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The Journal of Physical Chemistry. A|July 13, 2006
Basis set and density functional dependence of vibrational Raman optical activity calculationsMarkus Reiher, Vincent Liégeois, Kenneth RuudThe Journal of Chemical Physics|February 19, 2009
Intensity tracking for theoretical infrared spectroscopy of large moleculesSandra Luber, Johannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|December 31, 2020
Tailored coupled cluster theory in varying correlation regimesMaximilian Mörchen, Leon Freitag, Markus ReiherThe Journal of Chemical Physics|February 12, 2015
Communication: four-component density matrix renormalization groupStefan Knecht, Örs Legeza, Markus ReiherJournal of Chemical Theory and Computation|December 7, 2023
Flexible DMRG-Based Framework for Anharmonic Vibrational CalculationsNina Glaser, Alberto Baiardi, Markus ReiherThe Journal of Physical Chemistry. A|October 13, 2023
Symmetry-Projected Nuclear-Electronic Hartree-Fock: Eliminating Rotational Energy ContaminationRobin Feldmann, Alberto Baiardi, Markus ReiherThe Journal of Chemical Physics|December 3, 2008
Selective calculation of high-intensity vibrations in molecular resonance Raman spectraKarin Kiewisch, Johannes Neugebauer, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 10, 2016
Multiconfigurational Effects in Theoretical Resonance Raman SpectraYingjin Ma, Stefan Knecht, Markus ReiherJournal of Chemical Theory and Computation|January 26, 2023
Second-Order Self-Consistent Field Algorithms: From Classical to Quantum NucleiRobin Feldmann, Alberto Baiardi, Markus ReiherThe Journal of Chemical Physics|February 2, 2010
Enhancement and de-enhancement effects in vibrational resonance Raman optical activitySandra Luber, Johannes Neugebauer, Markus ReiherPageof 27