A Generalized Surface Hopping Algorithm To Model Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals-Reference-Cited by-同舟云学术

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A Generalized Surface Hopping Algorithm To Model Nonadiabatic Dynamics near Metal Surfaces: The Case of Multiple Electronic Orbitals

Published:2017-05-18 Issue:6 Volume:13 Page:2430-2439
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Dou Wenjie¹^ORCID,Subotnik Joseph E.¹

Affiliation:

1. Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States

Funder

Air Force Office of Scientific Research

Camille and Henry Dreyfus Foundation

David and Lucile Packard 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.7b00094

Reference66 articles.

1. ELECTRON TRANSMISSION THROUGH MOLECULES AND MOLECULAR INTERFACES

2. Energy transfer at metal surfaces: the need to go beyond the electronic friction picture

3. Exactly Solvable Quantum Model for Electrochemical Electron-Transfer Reactions

4. A Unified Model for the Electrochemical Rate Constant That Incorporates Solvent Dynamics

5. Nuclear Coupling and Polarization in Molecular Transport Junctions: Beyond Tunneling to Function

Cited by 14 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. Floquet nonadiabatic mixed quantum–classical dynamics in periodically driven solid systems;The Journal of Chemical Physics;2024-06-03

2. Electronic friction near metal surface: Incorporating nuclear quantum effect with ring polymer molecular dynamics;The Journal of Chemical Physics;2024-02-21

3. Nonadiabatic Dynamics near Metal Surfaces with Periodic Drivings: A Generalized Surface Hopping in Floquet Representation;Journal of Chemical Theory and Computation;2024-01-10

4. Metal-Induced Fast Vibrational Energy Relaxation: Quantum Nuclear Effects Captured in Diabatic Independent Electron Surface Hopping (IESH-D) Method;The Journal of Physical Chemistry A;2023-05-03

5. Detailed Balance and Independent Electron Surface-Hopping Method: The Importance of Decoherence and Correct Calculation of Diabatic Populations;Journal of Chemical Theory and Computation;2022-07-26

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