FSSH-2: Fewest Switches Surface Hopping with Robust Switching Probability-Reference-Cited by-同舟云学术

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FSSH-2: Fewest Switches Surface Hopping with Robust Switching Probability

Published:2024-05-02 Issue:9 Volume:20 Page:3413-3419
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Araujo Leonardo¹,Lasser Caroline¹,Schmidt Burkhard²^ORCID

Affiliation:

1. Department of Mathematics, TUM School of Computation, Information and Technology, Technische Universität München, Boltzmannstr. 3, 85748 Garching bei München, Germany

2. Weierstrass Institute for Applied Analysis and Stochastics, Mohrenstr. 39, 10117 Berlin, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00089

Reference22 articles.

1. Molecular dynamics with electronic transitions

2. Recent Advances and Perspectives on Nonadiabatic Mixed Quantum–Classical Dynamics

3. A molecular perspective on Tully models for nonadiabatic dynamics

4. Pedagogical Overview of the Fewest Switches Surface Hopping Method

5. Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The fewest switches surface hopping as an optimisation problem;Molecular Physics;2024-07-14

2. Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene;Journal of Physics: Condensed Matter;2024-06-21

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