Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation-Reference-Cited by-同舟云学术

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Nuclear Quantum Effects on Nonadiabatic Dynamics of a Green Fluorescent Protein Chromophore Analogue: Ring-Polymer Surface-Hopping Simulation

Published:2024-04-24 Issue:9 Volume:20 Page:3426-3439
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liu Xiang-Yang¹^ORCID,Wang Sheng-Rui²,Fang Wei-Hai²^ORCID,Cui Ganglong²^ORCID

Affiliation:

1. College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610068, China

2. Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China

Funder

National Key Research and Development Program of China

Fundamental Research Funds for the Central Universities

National Natural Science Foundation of China

Innovation Program for Quantum Science and Technology

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00068

Reference109 articles.

1. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids Oxford University Press: New York, 1987.

2. Frenkel, D.; Smit, B. Understanding Molecular Simulation: From Algorithms to Applications; Academic Press: San Diego, 2002.

3. Time-dependent quantum mechanical wave packet dynamics

4. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

5. Multilayer formulation of the multiconfiguration time-dependent Hartree theory

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