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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2018
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| 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 |