Showing results (21-30 of 1,462) with videos related to
Sort By:
Pageof 147
The Journal of Physical Chemistry. A|July 13, 2006
Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculationsJohannes Neugebauer, Evert Jan Baerends, Marcel NooijenThe Journal of Chemical Physics|July 21, 2004
First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approachAnirban Hazra, Hannah H Chang, Marcel NooijenJournal of Chemical Theory and Computation|November 29, 2015
Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster TheoryLee M J Huntington, Ondřej Demel, Marcel NooijenThe Journal of Chemical Physics|October 12, 2018
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributionsNeil Raymond, Dmitri Iouchtchenko, Pierre-Nicholas Roy, et al.The Journal of Chemical Physics|March 26, 2009
State specific equation of motion coupled cluster method in general active spaceLiguo Kong, K R Shamasundar, Ondrej Demel, et al.The Journal of Physical Chemistry. A|October 30, 2008
Application of double ionization state-specific equation of motion coupled cluster method to organic diradicalsOndrej Demel, K R Shamasundar, Liguo Kong, et al.The Journal of Chemical Physics|October 23, 2021
Toward Laplace MP2 method using range separated Coulomb potential and orbital selective virtualsOndřej Demel, Michael J Lecours, Richard Habrovský, et al.Journal of Chemical Theory and Computation|December 6, 2017
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation EnergiesAchintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.The Journal of Chemical Physics|February 24, 2017
Automatic active space selection for the similarity transformed equations of motion coupled cluster methodAchintya Kumar Dutta, Marcel Nooijen, Frank Neese, et al.The Journal of Chemical Physics|April 17, 2017
Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?Varun Rishi, Ajith Perera, Marcel Nooijen, et al.Pageof 147