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Orbital-Dependent Electronic Friction Significantly Affects the Description of Reactive Scattering of N(2) from Ru(0001)

[Image: see text] Electron–hole pair (ehp) excitation is thought to substantially affect the dynamics of molecules on metal surfaces, but it is not clear whether this can be better addressed by orbital-dependent friction (ODF) or the local density friction approximation (LDFA). We investigate the ef...

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Detalles Bibliográficos
Autores principales:	Spiering, Paul, Shakouri, Khosrow, Behler, Jörg, Kroes, Geert-Jan, Meyer, Jörg
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6558642/ https://www.ncbi.nlm.nih.gov/pubmed/31088059 http://dx.doi.org/10.1021/acs.jpclett.9b00523

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