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Electron Elevator: Excitations across the Band Gap via a Dynamical Gap State
ArticleAbstract: We use time-dependent density functional theory to study self-irradiated Si. We calculate the electrPalabras claves:Autores:Alfredo A. Correa, Draeger E.W., Foulkes W.M.C., Horsfield A.P., Lim A., Mason D.R., Schleife A.Fuentes:scopusQuantum dynamics simulation of electrons in materials on high-performance computers
ArticleAbstract: Advancement in high-performance computing allows us to calculate properties of increasingly complexPalabras claves:computational materials science, high-performance computing, Hpc, quantum electron dynamics, scientific computingAutores:Alfredo A. Correa, Anisimov V., Draeger E.W., Kanai Y., Schleife A.Fuentes:scopus