Small Matrix Path Integral for Driven Dissipative Dynamics
Small Matrix Path Integral for Driven Dissipative Dynamics
复制标题
用于驱动耗散动力学的小矩阵路径积分
DOI：
10.1021/acs.jpca.1c08230
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
Makri, Nancy
中科院分区：
文献类型：
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作者：
Makri, Nancy
小矩阵分解的准绝热传播子路径积分（SMatPI）的系统耦合到一个谐波浴，它占多时间记忆相关的影响功能，而不使用张量，扩展到包括一个时间依赖项，驱动系统。在周期性字段的情况下，该算法需要在短时间间隔内初始化的SMatPI矩阵的建设。SMatPI算法避免了基于张量的迭代路径积分分解的大型阵列存储，并且在周期性场的情况下，还消除了每个时间步长的苛刻张量乘法，从而实现了显着的节省，从而允许对多态系统和长记忆环境进行完全量子力学处理。
The small matrix decomposition of the quasi-adiabatic propagator path integral (SMatPI) for a system coupled to a harmonic bath, which accounts for multitime memory correlations in the influence functional without the use of tensors, is extended to include a time-dependent term that drives the system. In the case of a periodic field, the algorithm requires the construction of SMatPI matrices initialized over a short time interval. The SMatPI algorithm circumvents the large array storage of tensor-based iterative path integral decompositions and, in the case of a periodic field, also eliminates the demanding tensor multiplication at each time step, leading to dramatic savings which allow the fully quantum mechanical treatment of multistate systems and long-memory environments.