Towards the full quantum dynamical description of photon induced processes in $\mathrm{D}_{2}^{+}$

TL;DR

This paper introduces a new quantum dynamical model to accurately describe the dissociative ionization of deuterium molecular ions under intense laser pulses, incorporating nuclear vibration as a dynamic variable.

Contribution

The paper presents a novel quantum dynamical model that includes nuclear vibration for simulating photon-induced processes in $ ext{D}_2^+$, validated against benchmark calculations.

Findings

Successfully calculated ionization probability densities using the new model.

Benchmark results agree with existing accurate numerical data for $ ext{HeH}^{++}$.

Demonstrated the model's capability to handle complex molecular ionization processes.

Abstract

A new quantum dynamical model has been developed to describe the dissociative ionization of deuterium molecular ions by intense laser pulses ($\tau=10$ fs, $\lambda=200$ nm and $I=3\times10^{13}$ W/cm$^{2}$). We calculated the ionization probability densities by solving the time-dependent Schr\"odinger equation numerically. Throughout the simulation the nuclear vibration was considered as a dynamic variable with fixed molecular axis orientation. Benchmark calculations were performed for the ionization of $\mathrm{HeH}^{++}$, for which accurate numerical results are available in the literature, in order to check the performance of this new restricted model.