Complete dynamics of H2+ in strong laser fields

TL;DR

This paper provides a comprehensive quantum-classical analysis of H2+ dynamics in strong laser fields, revealing how nuclear motion influences dissociation and ionization, with results aligning with experimental observations.

Contribution

It introduces a complete model including all nuclear and electronic degrees of freedom for H2+ in strong fields, explaining complex ionization and dissociation behaviors.

Findings

Nuclear ro-vibrational dynamics enhances dissociation.

Nuclear dynamics suppresses ionization.

Large initial vibrational excitation favors ionization at large angles.

Abstract

Based on a combined quantum-classical treatment, a complete study of the strong field dynamics of H2+, i.e. including all nuclear and electronic DOF as well as dissociation and ionization, is presented. We find that the ro-vibrational nuclear dynamics enhances dissociation and, at the same time, suppresses ionization, confirming experimental observations by I. Ben-Itzhak et al. [Phys. Rev. Lett. 95, 073002 (2005)]. In addition and counter-intuitively, it is shown that for large initial vibrational excitation ionization takes place favorably at large angles between the laser polarization and molecular axis. A local ionization model delivers a transparent explanation of these findings.