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Journal of Chemical Theory and Computation|October 24, 2018
Range-Separated Hybrid Functionals with Variational Fitted Exact ExchangeFrancisco A Delesma, Gerald Geudtner, Daniel Mejía-Rodríguez, et al.The Journal of Chemical Physics|October 2, 2009
Robust and efficient density fittingVíctor D Domínguez-Soria, Gerald Geudtner, José Luis Morales, et al.Journal of Chemical Theory and Computation|April 1, 2020
Variational Density Fitting with a Krylov Subspace MethodJesús N Pedroza-Montero, José Luis Morales, Gerald Geudtner, et al.The Journal of Physical Chemistry. A|July 30, 2014
Transition-state searches in metal clusters by first-principle methodsDomingo Cruz-Olvera, Alejandra de la Trinidad Vasquez, Gerald Geudtner, et al.Journal of Computational Chemistry|April 2, 2002
Mechanism for large first hyperpolarizabilities of phosphonic acid stilbene derivativesPatrizia Calaminici, Karl Jug, Andreas M Köster, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 28, 2009
Unusual optical properties of Mn-doped ZnO: the search for a new red pigment-a combined experimental and theoretical studyHilkka Saal, Michael Binnewies, Marius Schrader, et al.Molecules (Basel, Switzerland)|May 1, 2019
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-ReviewAurélien de la Lande, Aurelio Alvarez-Ibarra, Karim Hasnaoui, et al.Pageof 3