Abstract
SynopsisThis study aims to analyze the role of van der Waals forces in the diffraction process of noble gases from a metal surface. We made use of different vdW implementations to rationalize the effect of dispersion forces on the corrugation of the system, the resulting scattering patterns and on the eventual diffraction results.
Highlights
To achieve this task, we built the 3D potential energy surfaces (PESs) based on periodic DFT calculations performed by means of the Vienna ab initio simulation package (VASP) [2]
Synopsis This study aims to analyze the role of van der Waals forces in the diffraction process of noble gases from a metal surface
We made use of different van der Waals (vdW) implementations to rationalize the effect of dispersion forces on the corrugation of the system, the resulting scattering patterns and on the eventual diffraction results
Summary
We built the 3D potential energy surfaces (PESs) based on periodic DFT calculations performed by means of the Vienna ab initio simulation package (VASP) [2]. XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC2015) IOP Publishing Journal of Physics: Conference Series 635 (2015) 032004 doi:10.1088/1742-6596/635/3/032004
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