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Electron-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:scopusAdequacy 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:scopusRole of electrons in collision cascades in solids. I. Dissipative model
ArticleAbstract: We present a detailed model for the nonadiabatic coupling between ions and electrons in energetic ioPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopus