论文标题
简单的改进了运动层次方程的低温校正
A simple improved low temperature correction for the hierarchical equations of motion
论文作者
论文摘要
开放系统量子动力学的研究已通过层次运动方程（HEOM）方法进行了转换，该方法为在任意温度和系统固定耦合强度下耦合到谐波浴的系统提供了确切的动力学。但是，在其标准形式中，该方法仅与当许多辅助密度运算符包含在层次结构中时，即使包括低温校正，在所有温度下，在所有温度下的弱耦合量子主方程。在这里，我们提出了一种新的低温校正方案，以基于Zwanzig投影终止层次结构，以减轻此问题，并以最小的层次结构恢复与弱耦合主方程的一致性。在包括Fenna-Metthews-Olson综合体在内的一系列模型系统上展示了新校正方案的实用性。发现新的关闭可以改善HEOM的融合，甚至超过弱耦合极限，并且在现有的HEOM代码中实施非常简单。
The study of open system quantum dynamics has been transformed by the hierarchical equations of motion (HEOM) method, which gives the exact dynamics for a system coupled to a harmonic bath at arbitrary temperature and system-bath coupling strength. However in its standard form the method is only consistent with the weak-coupling quantum master equation at all temperatures when many auxiliary density operators are included in the hierarchy, even when low temperature corrections are included. Here we propose a new low temperature correction scheme for the termination of the hierarchy based on Zwanzig projection which alleviates this problem, and restores consistency with the weak-coupling master equation with a minimal hierarchy. The utility of the new correction scheme is demonstrated on a range of model systems, including the Fenna-Metthews-Olson complex. The new closure is found to improve convergence of the HEOM even beyond the weak-coupling limit and is very straightforward to implement in existing HEOM codes.
