High-order geometric integrators for representation-free Ehrenfest dynamics-Reference-Cited by-同舟云学术

High-order geometric integrators for representation-free Ehrenfest dynamics

Published:2021-09-28 Issue:12 Volume:155 Page:124104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Choi Seonghoon¹^ORCID,Vaníček Jiří¹^ORCID

Affiliation:

1. Laboratory of Theoretical Physical Chemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Funder

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0061878

Reference112 articles.

1. Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2

2. Molecular dynamics with electronic transitions

3. Mixed quantum-classical equilibrium: Surface hopping

4. Single switch surface hopping for a model of pyrazine

5. A new approach to decoherence and momentum rescaling in the surface hopping algorithm

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