期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 23, 期 22, 页码 12537-12540出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cp01483h
关键词
-
资金
- Air Force Office of Scientific Research under AFOSR [FA9550-18-1-0291]
The modular path integral (MPI) formulation allows evaluation of spin- or exciton-vibration dynamics for one-dimensional extended systems with effort that scales linearly with the number of units. This work introduces a small matrix decomposition of the MPI, known as SMatMPI, which eliminates tensor storage and enables iterative long-time propagation.
The modular path integral (MPI) formulation for one-dimensional extended systems, such as spin arrays or molecular aggregates, allows evaluation of spin- or exciton-vibration dynamics with effort that scales linearly with the number of units. This work presents a small matrix decomposition of the modular path integral (SMatMPI), which eliminates tensor storage and enables iterative long-time propagation.
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