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Hierarchical Equations of Motion for Quantum Chemical Dynamics: Recent Methodology Developments and Applications
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2024-10-09 , DOI: 10.1021/acs.accounts.4c00492
Shuming Bai, Shuocang Zhang, Chenghong Huang, Qiang Shi

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.

中文翻译:


量子化学动力学的分层运动方程:最近的方法发展和应用



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,其中分子与其环境之间的相互作用通常很强且非马尔可夫。在本报告中,我们回顾了我们小组在分层运动方程 (HEOM) 方法的开发和应用方面的最新进展,强调了它解决量子化学动力学中一些具有挑战性的问题的能力。
更新日期:2024-10-09
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