Mixed quantal-semiquantal dynamics with stochastic particles for backreaction

TL;DR

This paper introduces a mixed quantal-semiquantal dynamics approach using stochastic particles to accurately model quantum backreaction, demonstrated through an O2 scattering simulation on a Pt surface.

Contribution

It develops a new stochastic particle method for mixed quantal-semiquantal systems that captures interparticle correlations beyond mean-field approximations.

Findings

Accurately reproduces asymptotic scattering probabilities.

Improves upon existing mixed quantum-classical schemes.

Demonstrates effective modeling of quantum backreaction.

Abstract

A mixed quantal-semiquantal theory is presented in which the semiquantal squeezed-state wave packet describes the heavy degrees of freedom. We first derive mean-field equations of motion from the time-dependent variational principle. Then, in order to take into account the interparticle correlation, in particular the 'quantum backreaction' beyond the mean-field approximation, we introduce the stochastic particle description for both the quantal and semiquantal parts. A numerical application on a model of O2 scattering from a Pt surface demonstrates that the proposed scheme gives correct asymptotic behavior of the scattering probability, with improvement over the mixed quantum-classical scheme with Bohmian particles, which is comprehended by comparing the Bohmian and the stochastic trajectories.