Showing results (1-10 of 364) with videos related to
Sort By:
Pageof 37
Physical Review Letters|March 5, 2009
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference dataAlexandre Tkatchenko, Matthias SchefflerAccounts of Chemical Research|June 11, 2014
Modeling adsorption and reactions of organic molecules at metal surfacesWei Liu, Alexandre Tkatchenko, Matthias SchefflerJournal of Chemical Theory and Computation|November 29, 2015
Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine DimersNoa Marom, Alexandre Tkatchenko, Matthias Scheffler, et al.Physical Review Letters|May 17, 2011
Beyond the random-phase approximation for the electron correlation energy: the importance of single excitationsXinguo Ren, Alexandre Tkatchenko, Patrick Rinke, et al.Physical Review Letters|September 26, 2012
Accurate and efficient method for many-body van der Waals interactionsAlexandre Tkatchenko, Robert A DiStasio, Roberto Car, et al.The Journal of Chemical Physics|September 11, 2009
Dispersion-corrected Møller-Plesset second-order perturbation theoryAlexandre Tkatchenko, Robert A DiStasio, Martin Head-Gordon, et al.Physical Review Letters|April 8, 2011
Unraveling the stability of polypeptide helices: critical role of van der Waals interactionsAlexandre Tkatchenko, Mariana Rossi, Volker Blum, et al.Physical Review Letters|May 1, 2012
Density-functional theory with screened van der Waals interactions for the modeling of hybrid inorganic-organic systemsVictor G Ruiz, Wei Liu, Egbert Zojer, et al.Physical Review Letters|January 17, 2012
Van der Waals interactions in ionic and semiconductor solidsGuo-Xu Zhang, Alexandre Tkatchenko, Joachim Paier, et al.The Journal of Chemical Physics|November 26, 2008
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactionsBiswajit Santra, Angelos Michaelides, Martin Fuchs, et al.Pageof 37