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He atom scattering from the graphite (0001) surface: Diffraction peaks, resonance splittings, and isolated resonances (1987)

Jónsson, Hannes ; Weare, John H.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 86 (1987), S. 3711-3719

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: Experimental diffraction peaks and resonance splittings are analyzed with a close coupling scattering calculation to give a consistent He–graphite interaction potential. The interaction is modeled as a sum of effective He–C pair interactions. Previous, more approximate, estimates of bound state matrix elements of the potential were 30% larger than present estimates. The corrugation of the equipotential surface is estimated to be a little smaller than previous "hard wall'' estimates. The results are compared with recent ab initio potentials.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.451973

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