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 mei 2021
First published
27 mei 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

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements