A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface-Reference-Cited by-同舟云学术

A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface

Published:2017-05-28 Issue:20 Volume:146 Page:204108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Tsatsoulis Theodoros¹^ORCID,Hummel Felix¹,Usvyat Denis²^ORCID,Schütz Martin²^ORCID,Booth George H.³,Binnie Simon S.⁴⁵⁶,Gillan Michael J.⁴⁵⁶,Alfè Dario⁴⁵⁶⁷^ORCID,Michaelides Angelos⁴⁵⁶^ORCID,Grüneis Andreas¹⁸

Affiliation:

1. Max Planck Institute for Solid State Research, Heisenbergstraße 1, D-70569 Stuttgart, Germany

2. Institut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-St. 2, D-12489 Berlin, Germany

3. Department of Physics, King’s College London, Strand, London WC2R 2LS, United Kingdom

4. London Centre for Nanotechnology, University College London, Gordon St., London WC1H 0AH, United Kingdom

5. Thomas Young Centre, University College London, London WC1H 0AH, United Kingdom

6. Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom

7. Department of Earth Sciences, University College London, London WC1E 6BT, United Kingdom

8. Department Chemie, Technische Universität München, Lichtenbergstraße 4, D-85747 Garching, Germany

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4984048

Reference89 articles.

1. The CO/Pt(111) Puzzle

2. How strong is the bond between water and salt?

3. Accurate surface and adsorption energies from many-body perturbation theory

4. Adsorption of a water molecule on the MgO(100) surface as described by cluster and slab models

5. Communication: Water on hexagonal boron nitride from diffusion Monte Carlo

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