Lagrangian trajectories and closure models in mixed quantum-classical dynamics
Abstract
Mixed quantum-classical models have been proposed in several contexts to overcome the computational challenges of fully quantum approaches. However, current models typically suffer from long-standing consistency issues, and, in some cases, invalidate Heisenberg's uncertainty principle. Here, we present a fully Hamiltonian theory of quantum-classical dynamics that appears to be the first to ensure a series of consistency properties, beyond positivity of quantum and classical densities. Based on Lagrangian phase-space paths, the model possesses a quantum-classical Poincar\'e integral invariant as well as infinite classes of Casimir functionals. We also exploit Lagrangian trajectories to formulate a finite-dimensional closure scheme for numerical implementations.
Cite
@article{arxiv.2303.01975,
title = {Lagrangian trajectories and closure models in mixed quantum-classical dynamics},
author = {Cesare Tronci and François Gay-Balmaz},
journal= {arXiv preprint arXiv:2303.01975},
year = {2023}
}
Comments
10 pages, no figure. To appear in Lecture Notes in Comput. Sci