Issue 22, 2021

Small matrix modular path integral: iterative quantum dynamics in space and time

Abstract

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.

Graphical abstract: Small matrix modular path integral: iterative quantum dynamics in space and time

Article information

Article type
Communication
Submitted
06 Apr. 2021
Accepted
06 Maijs 2021
First published
27 Maijs 2021

Phys. Chem. Chem. Phys., 2021,23, 12537-12540

Author version available

Small matrix modular path integral: iterative quantum dynamics in space and time

N. Makri, Phys. Chem. Chem. Phys., 2021, 23, 12537 DOI: 10.1039/D1CP01483H

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