Diffraction of helium on MgO(100) surface calculated from first-principles-Reference-Cited by-同舟云学术

Diffraction of helium on MgO(100) surface calculated from first-principles

Published:2014 Issue:39 Volume:16 Page:21106-21113
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Martinez-Casado Ruth¹²³⁴,Usvyat Denis⁵⁶⁷,Mallia Giuseppe¹²³⁴,Maschio Lorenzo⁸⁹¹⁰,Casassa Silvia¹²³⁴⁸,Ellis John¹¹¹²¹³,Schütz Martin⁵⁶⁷,Harrison Nicholas M.¹²³⁴¹⁴

Affiliation:

1. Thomas Young Centre

2. Department of Chemistry

3. Imperial College London

4. South Kensington London SW7 2AZ, UK

5. Institut für Physikalische und Theoretische Chemie

6. Universität Regensburg

7. 93040 Regensburg, Germany

8. Dipartimento di Chimica

9. Università degli Studi di Torino

10. I-10125 Turin, Italy

11. Cavendish Laboratory

12. University of Cambridge

13. Cambridge CB3 0HE, UK

14. Daresbury Laboratory

Abstract

In this work we simulate the diffraction peak intensities of He beams scattered on the MgO(100) surface using hierarchical protocol, based on periodic and finite-cluster quantum-chemical calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01145G

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4. Diffraction of Fast Atomic Projectiles during Grazing Scattering from a LiF(001) Surface

5. Quantum Scattering of Fast Atoms and Molecules on Surfaces

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