Nancy Makri
Phys. Chem. Chem. Phys., 2021,23, 12537-12540
DOI:
10.1039/D1CP01483H,
Communication
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.