Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics-Reference-Cited by-同舟云学术

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Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics

Published:2020-03-31 Issue:5 Volume:16 Page:2883-2895
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gao Xing¹,Saller Maximilian A. C.²,Liu Yudan¹,Kelly Aaron³,Richardson Jeremy O.²,Geva Eitan¹^ORCID

Affiliation:

1. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States

2. Laboratory of Physical Chemistry, ETH Zürich, 8093 Zürich, Switzerland

3. Department of Chemistry, Dalhousie University, 15000 Halifax, Nova Scotia, Canada

Funder

Eidgen?ssische Technische Hochschule Z?rich

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Natural Sciences and Engineering Research Council of Canada

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01267

Reference109 articles.

1. Coupling of protein motion to electron transfer in a photosynthetic reaction center: investigating the low temperature behavior in the framework of the spin—boson model

2. Quantum Coherence in Photosynthetic Light Harvesting

3. Photoinduced Charge Separation and Charge Recombination to a Triplet State in a Carotene−Porphyrin−Fullerene Triad

4. Photonic Switching of Photoinduced Electron Transfer in a Dithienylethene−Porphyrin−Fullerene Triad Molecule

5. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture

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3. Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics;The Journal of Chemical Physics;2024-07-09

4. Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface Hopping;The Journal of Physical Chemistry Letters;2024-05-23

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