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H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction.

Molecular dynamics with electronic friction (MDEF) at the level of the local density friction approximation (LDFA) has been applied to describe electronically non-adiabatic energy transfer accompanying H atom collisions with many solid metal surfaces. When implemented with full dimensional potential...

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Detalles Bibliográficos
Autores principales: Martin-Barrios, Raidel, Hertl, Nils, Galparsoro, Oihana, Kandratsenka, Alexander, Wodtke, Alec M., Larrégaray, Pascal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9472596/
https://www.ncbi.nlm.nih.gov/pubmed/36004823
http://dx.doi.org/10.1039/d2cp01850k