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Adequacy of damped dynamics to represent the electron-phonon interaction in solids
ArticleAbstract: Time-dependent density functional theory and Ehrenfest dynamics are used to calculate the electronicPalabras claves:Autores:Alfredo A. Correa, Caro A., Samolyuk G.D., Stocks G.M., Tamm A.Fuentes:scopusElectron-phonon interaction within classical molecular dynamics
ArticleAbstract: We present a model for nonadiabatic classical molecular dynamics simulations that captures with highPalabras claves:Autores:Aabloo A., Alfredo A. Correa, Caro A., Klintenberg M., Samolyuk G.D., Tamm A.Fuentes:scopusErratum: Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage (Physical Review Letters (2012) 108 (213201))
OtherAbstract:Palabras claves:Autores:Alfredo A. Correa, Artacho E., Caro A., Kohanoff J.J., Sánchez-Portal D.Fuentes:scopusLangevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling
ArticleAbstract: Stochastic Langevin dynamics has been traditionally used as a tool to describe nonequilibrium procesPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Klintenberg M., Samolyuk G.D., Tamm A.Fuentes:scopusOn the local density dependence of electronic stopping of ions in solids
ArticleAbstract: We use time-dependent density functional theory to calculate the electronic stopping Se in binary NiPalabras claves:Binary collisions, Electronic stopping power, nickel, Time Dependent Density Functional TheoryAutores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopusRole of electrons in collision cascades in solids. II. Molecular dynamics
ArticleAbstract: We present a model for the role of electrons in collision cascades in solids in which the coupling bPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopusStopping power beyond the adiabatic approximation
ArticleAbstract: Energetic ions traveling in solids deposit energy in a variety of ways, being nuclear and electronicPalabras claves:Autores:Alfredo A. Correa, Artacho E., Caro A., Caro M.Fuentes:scopus