Showing results (81-90 of 252) with videos related to
Sort By:
Pageof 26
Journal of Chemical Theory and Computation|February 12, 2026
n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State DynamicsValentin Barandun, Nina Glaser, Markus ReiherThe Journal of Chemical Physics|November 17, 2018
Explicitly correlated Gaussian functions with shifted-center and projection techniques in pre-Born-Oppenheimer calculationsAndrea Muolo, Edit Mátyus, Markus ReiherThe Journal of Chemical Physics|November 19, 2005
Relativistic DMRG calculations on the curve crossing of cesium hydrideGerrit Moritz, Alexander Wolf, Markus ReiherThe Journal of Chemical Physics|March 3, 2018
Generalized elimination of the global translation from explicitly correlated Gaussian functionsAndrea Muolo, Edit Mátyus, Markus ReiherThe Journal of Physical Chemistry. B|January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectraSandra Luber, Carmen Herrmann, Markus ReiherChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 31, 2006
Can Raman optical activity separate axial from local chirality? A theoretical study of helical deca-alanineCarmen Herrmann, Kenneth Ruud, Markus ReiherThe 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 ReiherPageof 26