Showing results (1-10 of 48) with videos related to
Sort By:
Pageof 5
Journal of Chemical Theory and Computation|November 21, 2015
Wave Function and Density Functional Theory Studies of Dihydrogen ComplexesE Fabiano, L A Constantin, F Della SalaJournal of Chemical Theory and Computation|November 26, 2015
Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density Embedding Theory for Nonbonded InteractionsS Laricchia, E Fabiano, L A Constantin, et al.The Journal of Chemical Physics|June 15, 2007
Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gapE Fabiano, F Della SalaThe Journal of Chemical Physics|April 6, 2013
Semilocal and hybrid density embedding calculations of ground-state charge-transfer complexesS Laricchia, E Fabiano, F Della SalaThe Journal of Chemical Physics|November 2, 2010
Frozen density embedding with hybrid functionalsS Laricchia, E Fabiano, F Della SalaPhysical Chemistry Chemical Physics : PCCP|October 9, 2009
Structural and electronic properties of gold microclusters: assessment of the localized Hartree-Fock methodE Fabiano, M Piacenza, F Della SalaThe Journal of Chemical Physics|July 12, 2012
On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energiesS Laricchia, E Fabiano, F Della SalaJournal of Chemical Theory and Computation|November 20, 2015
Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of NonlocalityLucian A Constantin, E Fabiano, F Della SalaThe Journal of Chemical Physics|May 24, 2011
Exchange-correlation generalized gradient approximation for gold nanostructuresE Fabiano, Lucian A Constantin, F Della SalaJournal of Chemical Theory and Computation|November 25, 2015
Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew-Burke-Ernzerhof-Like Enhancement FactorE Fabiano, Lucian A Constantin, F Della SalaPageof 5