Break-down of the single-active-electron approximation for one-photon ionization of the B ${}^1{\Sigma }_u^{+}$ state of H${}_2$ exposed to intense laser fields

Abstract

Ionization, excitation, and de-excitation to the ground state is studied theoretically for the first excited singlet state B ${}^1{\Sigma }_u^{+}$ of H${}_2$ exposed to intense laser fields with photon energies in between about 3 eV and 13 eV. A parallel orientation of a linear polarized laser and the molecular axis is considered. Within the dipole and the fixed-nuclei approximations the time-dependent Schrödinger equation describing the electronic motion is solved in full dimensionality and compared to simpler models. A dramatic break-down of the single-active-electron approximation is found and explained to be due to the inadequate description of the final continuum states.

9 pages, 4 figures

References in corpus (2)

• Ionisation of hydrogen molecule in intense ultrashort laser pulses: parallel versus perpendicular orientation
• Ionization of molecular hydrogen and deuterium by a frequency-doubled Ti:sapphire laser pulses

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• A Review on Ab Initio Approaches for Multielectron Dynamics
• Implementation of a time-dependent multiconfiguration self-consistent-field method for coupled electron-nuclear dynamics in diatomic molecules driven by intense laser pulses