Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping-Reference-Cited by-同舟云学术

Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping

Published:2024-01-12 Issue:3 Volume:15 Page:707-716
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Lawrence Joseph E.¹^ORCID,Mannouch Jonathan R.²^ORCID,Richardson Jeremy O.¹^ORCID

Affiliation:

1. Department of Chemistry and Applied Biosciences, ETH Zurich, 8093 Zurich, Switzerland

2. Hamburg Center for Ultrafast Imaging, Universität Hamburg and Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany

Funder

Eidgen?ssische Technische Hochschule Z?rich

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c03197

Reference92 articles.

1. BEYOND BORN-OPPENHEIMER: Molecular Dynamics Through a Conical Intersection

2. Ab Initio Nonadiabatic Quantum Molecular Dynamics

3. Nonadiabatic dynamics with trajectory surface hopping method

4. Understanding the Surface Hopping View of Electronic Transitions and Decoherence

5. Gómez, S.; Galván, I. F.; Lindh, R.; González, L. Quantum Chemistry and Dynamics of Excited States; John Wiley & Sons, Ltd., 2020; Chapter 1, pp 1–12.

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