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Testing Electronic Friction Models: Vibrational De-excitation in Scattering of H(2) and D(2) from Cu(111)

[Image: see text] At present, molecular dynamics with electronic friction (MDEF) is the workhorse model to go beyond the Born–Oppenheimer approximation in modeling dynamics of molecules at metal surfaces. Concomitant friction coefficients can be calculated with either the local density friction appr...

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Detalles Bibliográficos
Autores principales:	Spiering, Paul, Meyer, Jörg
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5890313/ https://www.ncbi.nlm.nih.gov/pubmed/29528648 http://dx.doi.org/10.1021/acs.jpclett.7b03182

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