Dissociation and dissociative ionization of H2+ using the time-dependent surface flux method

TL;DR

This paper extends the time-dependent surface flux method to analyze dissociation and dissociative ionization of H2+ under strong laser pulses, providing detailed energy spectra and insights into reaction dynamics.

Contribution

The paper introduces an extension of the surface flux method to treat dissociation and ionization, enabling detailed spectral analysis of H2+ reactions with strong lasers.

Findings

Successfully computed joint energy spectra for dissociative ionization.

Validated the method against existing results for H2+ ionization.

Analyzed dissociation using Floquet potential energy curves.

Abstract

The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and dissociative ionization processes of H2+ interacting with strong laser pulses. By dividing the simulation volume into proper spatial regions associated with the individual reaction channels and monitoring the probability flux, the joint energy spectrum for the dissociative ionization process and the energy spectrum for dissociation is obtained. The methodology is illustrated by solving the time-dependent Schr\"{o}dinger equation (TDSE) for a collinear one-dimensional model of H2+ with electronic and nuclear motions treated exactly and validated by comparison with published results for dissociative ionization. The results for dissociation are qualitatively explained by analysis based on dressed diabatic Floquet potential energy curves, and the method is used to investigate the breakdown of the two-surface model.