Simulating photo-dissociation in strong field by the random phase thermal wavefunction approach

TL;DR

This paper introduces an ab-initio quantum model using the random phase thermal wavefunction approach to simulate strong field photo-dissociation, effectively handling large state spaces and rotational dynamics.

Contribution

The study develops a computationally efficient quantum simulation method for strong field photo-dissociation that includes rotational effects and matches experimental observables.

Findings

Simulation results agree with experimental momentum distributions.

The method converges at different field intensities.

Applicable to complex time-domain spectroscopy scenarios.

Abstract

Simulating photo-dissociation processes is a challenging task when the number of states involved is significantly large. We present an ab-initio quantum model for strong field photo-dissociation processes which incorporates rotational dynamics. The computational complexity was reduced by employing the random phase thermal wavefunction method. The simulation outcome are analogous to experimental observable, such as the momentum angular distribution of the photo-fragments. We studied the convergence of these observables at two field intensities. The simulation method can be applied to wide-ranging time-domain spectroscopy at experimental conditions far beyond the reach of accurate direct numerical methods.