Makri Nancy
Departments of Chemistry and Physics, University of Illinois, 505 S. Mathews Avenue, Urbana, Illinois 61801, United States.
J Phys Chem Lett. 2024 Feb 8;15(5):1462-1468. doi: 10.1021/acs.jpclett.3c03555. Epub 2024 Jan 31.
An efficient, fully quantum mechanical, real-time path integral method for including the effects of static disorder in the dynamics of systems coupled to common or local harmonic baths is presented. Rather than performing a large number of demanding calculations for different realizations of the system Hamiltonian, the influence of the bath is captured through a single evaluation of the path sum by grouping the system paths into equivalence classes of fixed system amplitudes. The method is illustrated with several analytical and numerical examples that show a variety of nontrivial effects arising from the interplay among coherence, dissipation, thermal fluctuations, and geometric phases.
本文提出了一种高效的、完全量子力学的实时路径积分方法,用于考虑耦合到公共或局部谐振子浴的系统动力学中静态无序的影响。该方法不是针对系统哈密顿量的不同实现进行大量苛刻的计算,而是通过将系统路径分组为固定系统振幅的等价类,通过对路径和的单次评估来捕捉浴的影响。通过几个解析和数值例子说明了该方法,这些例子展示了相干性、耗散、热涨落和几何相位之间相互作用产生的各种非平凡效应。