Effective medium theory for bcc metals: electronically non-adiabatic H atom scattering in full dimensions
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DOI: 10.1039/d2cp00087c
Abstract: We report a newly derived Effective Medium Theory (EMT) formalism for bcc metals and apply it for the construction of a full-dimensional PES for H atoms interacting with molybdenum (Mo) and tungsten (W). We construct… read more here.
Keywords: bcc metals; atom scattering; effective medium; medium theory ... See more keywords