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Physical Chemistry Chemical Physics : PCCP|April 22, 2016
Constrained subsystem density functional theoryPablo Ramos, Michele PavanelloThe Journal of Chemical Physics|January 29, 2009
High-accuracy calculations of the ground, 1 1A1', and the 2 1A1', 2 3A1', and 1 1E' excited states of H3+Michele Pavanello, Ludwik AdamowiczThe Journal of Chemical Physics|April 16, 2018
Low-lying excited states by constrained DFTPablo Ramos, Michele PavanelloThe Journal of Chemical Physics|December 24, 2011
Modelling charge transfer reactions with the frozen density embedding formalismMichele Pavanello, Johannes NeugebauerThe Journal of Chemical Physics|April 3, 2016
Revealing electronic open quantum systems with subsystem TDDFTAlisa Krishtal, Michele PavanelloThe Journal of Chemical Physics|October 14, 2011
Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phaseMichele Pavanello, Johannes NeugebauerJournal of Physics. Condensed Matter : an Institute of Physics Journal|November 25, 2015
Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zoneAlessandro Genova, Michele PavanelloThe Journal of Chemical Physics|September 3, 2015
Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW methodDebalina Sinha, Michele PavanelloThe Journal of Chemical Physics|January 8, 2021
Nonadiabatic couplings from a variational excited state method based on constrained DFTPablo Ramos, Michele PavanelloPhilosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|October 3, 2012
Progress in calculating the potential energy surface of H3+Ludwik Adamowicz, Michele PavanelloPageof 65