Kapral Raymond
Department of Chemistry, Chemical Physics Theory Group, University of Toronto, Toronto, ON, M5S 3H6 Canada.
J Phys Condens Matter. 2015 Feb 25;27(7):073201. doi: 10.1088/0953-8984/27/7/073201. Epub 2015 Jan 30.
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.
通常，量子系统并非孤立的，必须考虑其与环境的相互作用。在这种开放量子系统中，这些环境相互作用会导致退相干和耗散，这对量子系统的性质有显著影响。在许多情况下，环境可以用经典力学很好地近似，因此人们会考虑开放量子 - 经典系统的动力学。由于目前对大型多体系统进行完整的量子动力学描述是不可行的，混合量子 - 经典方法可以提供准确且计算上易于处理的方式来跟踪系统及其环境的动力学。本综述聚焦于量子 - 经典刘维尔动力学，它是几种量子 - 经典描述之一，并讨论了在尝试将量子力学和经典力学相结合时出现的问题、量子 - 经典系统中的相干与退相干、非绝热动力学、表面跳跃和平均场理论及其与量子 - 经典刘维尔动力学的关系，以及模拟动力学的方法。
