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The Journal of Chemical Physics|July 28, 2007
Modeling temporary anions in density functional theory: calculation of the Fukui functionDavid J Tozer, Frank De ProftJournal of Computational Chemistry|October 31, 2012
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamicsVladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, et al.Journal of Chemical Theory and Computation|November 28, 2015
Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional TheoryJürgen Plötner, David J Tozer, Andreas DreuwThe Journal of Physical Chemistry. A|September 14, 2012
Overcoming low orbital overlap and triplet instability problems in TDDFTMichael J G Peach, David J TozerThe Journal of Chemical Physics|February 12, 2015
Analytic cubic and quartic force fields using density-functional theoryMagnus Ringholm, Dan Jonsson, Radovan Bast, et al.Journal of Chemical Theory and Computation|July 11, 2017
Efficient Calculation of Molecular Integrals over London Atomic OrbitalsTom J P Irons, Jan Zemen, Andrew M TealeJournal of Chemical Theory and Computation|March 16, 2021
Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure MethodsMeilani Wibowo, Tom J P Irons, Andrew M TealeJournal of Chemical Theory and Computation|March 16, 2021
Optimizing Molecular Geometries in Strong Magnetic FieldsTom J P Irons, Grégoire David, Andrew M TealeJournal of Chemical Theory and Computation|November 20, 2015
Molecular Binding in Post-Kohn-Sham Orbital-Free DFTAlex Borgoo, James A Green, David J TozerJournal of Chemical Theory and Computation|January 4, 2018
Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham TheoryDaniel J Sharpe, Mel Levy, David J TozerPageof 18