Published September 7, 2015 | Version v1
Journal article Metadata-only

Theoretical study of noble gases diffraction from Ru(0001) using van der Waals DFT-based potentials

Creators

  • 1. Departamento de Química, Módulo 13, Universidad Autónoma de Madrid, Cantoblanco 28049, Madrid (Spain)

Description

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 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. (paper)

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/635/3/032004

Additional details

Identifiers

DOI
10.1088/1742-6596/635/3/032004;

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
635
Journal Issue
3
Journal Page Range
[1 p.]
ISSN
1742-6596

Conference

Title
29. international conference on photonic, electronic, and atomic collisions
Acronym
ICPEAC2015
Dates
22-28 Jul 2015
Place
Toledo (Spain)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
47108276
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ATOM-ATOM COLLISIONS; DENSITY FUNCTIONAL METHOD; DIFFRACTION; IMPLEMENTATION; POTENTIALS; RARE GASES; RUTHENIUM; SURFACES; VAN DER WAALS FORCES
Descriptors DEC
ATOM COLLISIONS; CALCULATION METHODS; COHERENT SCATTERING; COLLISIONS; ELEMENTS; FLUIDS; GASES; METALS; NONMETALS; PLATINUM METALS; REFRACTORY METALS; SCATTERING; TRANSITION ELEMENTS; VARIATIONAL METHODS