Ab initio molecular dynamics with simultaneous electron and phonon excitations: Application to the relaxation of hot atoms and molecules on metal surfaces
نویسندگان
چکیده
D. Novko,1 M. Blanco-Rey,2,1 J. I. Juaristi,2,3,1 and M. Alducin3,1 1Donostia International Physics Center (DIPC), Paseo Manuel de Lardizabal 4, 20018 Donostia-San Sebastián, Spain 2Departamento de Fı́sica de Materiales, Facultad de Quı́micas UPV/EHU, Apartado 1072, 20080 Donostia-San Sebastián, Spain 3Centro de Fı́sica de Materiales CFM/MPC (CSIC-UPV/EHU), Paseo Manuel de Lardizabal 5, 20018 Donostia-San Sebastián, Spain (Received 30 July 2015; revised manuscript received 16 September 2015; published 24 November 2015)
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