Surface electron density models for accurateab initiomolecular dynamics with electronic friction-Reference-Cited by-同舟云学术

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Surface electron density models for accurateab initiomolecular dynamics with electronic friction

Published:2016-06-28 Issue:24 Volume:93 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Novko D.,Blanco-Rey M.,Alducin M.,Juaristi J. I.

Funder

Euskal Herriko Unibertsitatea

Ministerio de Economía y Competitividad

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.93.245435/fulltext

Reference98 articles.

1. Reactions at surfaces studied by ab initio dynamics calculations

2. Quantum and classical dynamics of reactive scattering of H2 from metal surfaces

3. Dissociative chemisorption of H2 on the Cu(110) surface: A quantum and quasiclassical dynamical study

4. Chemically Accurate Simulation of a Prototypical Surface Reaction: H 2 Dissociation on Cu(111)

5. Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface

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