When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2 on Pd(111)-Reference-Cited by-同舟云学术

When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2 on Pd(111)

Published:2020 Issue:39 Volume:22 Page:22805-22814
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Rodríguez-Fernández Alberto¹²³⁴⁵,Bonnet Laurent¹²³⁴⁵^ORCID,Crespos Cedric¹²³⁴⁵,Larrégaray Pascal¹²³⁴⁵,Díez Muiño Ricardo⁶⁷⁸⁹⁷^ORCID

Affiliation:

1. Université de Bordeaux

2. ISM

3. UMR 5255

4. F-33400 Talence

5. France

6. Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU)

7. 20018 Donostia-SanSebastián

8. Spain

9. Donostia International Physics Center (DIPC)

Abstract

The classical trajectory method in a quantum spirit assigns statistical weights to classical paths on the basis of two semiclassical corrections: Gaussian binning and the adiabaticity correction.

Funder

Euskal Herriko Unibertsitatea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02655G

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1. Crossed beam polyatomic reaction dynamics: recent advances and new insights

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