量子化学动力学的层次运动方程：最新方法论发展与应用

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-10-09 DOI:10.1021/acs.accounts.4c00492

Shuming Bai, Shuocang Zhang, Chenghong Huang, Qiang Shi

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引用次数: 0

摘要

量子效应对于理解凝聚相中的许多化学动力学过程至关重要，在凝聚相中，分子与其环境之间的相互作用通常很强，而且是非马尔可夫式的。在本报告中，我们回顾了本课题组在开发和应用分层运动方程（HEOM）方法方面的最新进展，重点介绍了该方法解决量子化学动力学中一些挑战性问题的能力。

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Hierarchical Equations of Motion for Quantum Chemical Dynamics: Recent Methodology Developments and Applications

Quantum effects are critical to understanding many chemical dynamical processes in condensed phases, where interactions between molecules and their environment are usually strong and non-Markovian. In this Account, we review recent progress from our group in development and application of the hierarchical equations of motion (HEOM) method, highlighting its ability to address some challenging problems in quantum chemical dynamics.

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.