Hierarchical Equations-of-Motion Method for Momentum System-Bath Coupling

J Phys Chem B. 2021 May 13;125(18):4863-4873. doi: 10.1021/acs.jpcb.1c02431. Epub 2021 Apr 30.

Abstract

For a broad class of quantum models of practical interest, we demonstrate that the Hamiltonian of the system nonlinearly coupled to a harmonic bath through the system and bath coordinates can be equivalently mapped into the Hamiltonian of the system bilinearly coupled to the bath through the system and bath momenta. We show that the Hamiltonian with bilinear system-bath momentum coupling can be treated by the hierarchical equations-of-motion (HEOM) method and present the corresponding proof-of-principle simulations. The developed methodology creates the opportunity to scrutinize a new family of nonlinear quantum systems by the numerically accurate HEOM method.