Real-Space and Real-Time Propagation for Correlated Electron–Nuclear Dynamics Based on Exact Factorization-Reference-Cited by-同舟云学术

Real-Space and Real-Time Propagation for Correlated Electron–Nuclear Dynamics Based on Exact Factorization

Published:2023-04-06 Issue:8 Volume:19 Page:2186-2197
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Han Daeho¹,Ha Jong-Kwon¹,Min Seung Kyu¹^ORCID

Affiliation:

1. Department of Chemistry, School of Natural Science, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan 44919, South Korea

Funder

National Research Foundation of Korea

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00939

Reference58 articles.

1. Both electronic and vibrational coherences are involved in primary electron transfer in bacterial reaction center

2. Coherent wavepackets in the Fenna–Matthews–Olson complex are robust to excitonic-structure perturbations caused by mutagenesis

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4. Spatially segregated free-carrier and exciton populations in individual lead halide perovskite grains

5. Two-Dimensional Au-Nanoprism/Reduced Graphene Oxide/Pt-Nanoframe as Plasmonic Photocatalysts with Multiplasmon Modes Boosting Hot Electron Transfer for Hydrogen Generation

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