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Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00851
Abstract: Quantum dynamics (QD) simulation is a powerful tool for interpreting ultrafast spectroscopy experiments and unraveling their microscopic mechanism in out-of-equilibrium excited state behaviors in various chemical, biological, and material systems. Although state-of-the-art numerical QD approaches…
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Keywords:
system;
environment;
environment interactions;
strong system ... See more keywords