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The 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 ReiherJournal of Chemical Theory and Computation|March 30, 2018
Calculation of Ligand Dissociation Energies in Large Transition-Metal ComplexesTamara Husch, Leon Freitag, Markus ReiherThe Journal of Chemical Physics|October 24, 2014
Electric transition dipole moment in pre-Born-Oppenheimer molecular structure theoryBenjamin Simmen, Edit Mátyus, Markus ReiherJournal of Chemical Theory and Computation|April 4, 2018
Statistical Analysis of Semiclassical Dispersion CorrectionsThomas Weymuth, Jonny Proppe, Markus ReiherPageof 26