Electronic and Vibrational Close-Coupling Method for Resonant Electron-Molecule Scattering

2021 ◽  
Vol 127 (22) ◽  
Author(s):  
Liam H. Scarlett ◽  
Igor Bray ◽  
Dmitry V. Fursa
1992 ◽  
Vol 06 (01) ◽  
pp. 109-123
Author(s):  
M. ARTUNÇ ◽  
M. CEYLAN ◽  
N. KOLSUZ

Using the exact close-coupling method we have investigated the diffraction intensities of He atoms from a Ag(110) surface. He-Ag(110) interaction is represented by a corrugated Mie potential. In our calculations we have used three different well depths D. Diffraction intensities were calculated for x = <001> direction. The softness parameter β is optimized for a given incident energy Ei and incident angle θi so as to reproduce the experimental results. Using well depth D and van der Waals constant C3 for six He-metal (Al, Ni, Cu, Ag, Pt, Au) systems we have obtained a relation, D = 0.070C3 − 9.006, between parameters D and C3. Our results are in good agreement with experimental observations.


2012 ◽  
Vol 85 (1) ◽  
Author(s):  
M. S. Pindzola ◽  
Sh. A. Abdel-Naby ◽  
J. A. Ludlow ◽  
F. Robicheaux ◽  
J. Colgan

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