Entangled system-and-environment dynamics: Phase-space dissipaton theory

TL;DR

This paper extends the dissipaton-equation-of-motion (DEOM) framework to include solvation momenta, creating a phase-space DEOM theory that enhances the modeling of open quantum system dynamics.

Contribution

The paper introduces a rigorous dissipaton algebra for solvation momenta within DEOM, enabling phase-space analysis of open quantum systems.

Findings

Validated dissipaton algebra for solvation momenta

Developed phase-space DEOM theory

Applied to heat current fluctuation analysis

Abstract

Dissipaton-equation-of-motion (DEOM) theory [Y. J. Yan, J. Chem. Phys. 140, 054105 (2014)] is an exact and nonperturbative many-particle method for open quantum systems. The existing dissipaton algebra treats also the dynamics of hybrid bath solvation coordinates. The dynamics of conjugate momentums remain to be addressed within the DEOM framework. In this work, we establish this missing ingredient, the dissipaton algebra on solvation momentums, with rigorous validations against necessary and sufficient criteria. The resulted phase-space DEOM theory will serve as a solid ground for further developments of various practical methods toward a broad range of applications. We illustrate this novel dissipaton algebra with the phase-space DEOM-evaluation on heat current fluctuation.