Photoionization of few electron systems with a hybrid Coupled Channels approach

Abstract

We present the hybrid anti-symmetrized coupled channels method for the calculation of fully differential photo-electron spectra of multi-electron atoms and small molecules interacting with strong laser fields. The method unites quantum chemical few-body electronic structure with strong-field dynamics by solving the time dependent Schrödinger equation in a fully anti-symmetrized basis composed of multi-electron states from quantum chemistry and a one-electron numerical basis. Photoelectron spectra are obtained via the time dependent surface flux (tSURFF) method. Performance and accuracy of the approach are demonstrated for spectra from the helium and berryllium atoms and the hydrogen molecule in linearly polarized laser fields at wavelength from 21 nm to 400 nm. At long wavelengths, helium and the hydrogen molecule at equilibrium inter-nuclear distance can be approximated as single channel systems whereas beryllium needs a multi-channel description.

References in corpus (5)

• Time-dependent multiconfiguration self-consistent-field method based on occupation restricted multiple active space model for multielectron dynamics in intense laser fields
• Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis
• Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
• A simple parameter-free one-center model potential for an effective one-electron description of molecular hydrogen
• Ionization behavior of molecular hydrogen in intense laser fields: Influence of molecular vibration and alignment

Cited by in corpus (5)

• A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
• Effect of multielectron polarization in strong-field ionization of the oriented CO molecule
• Triple ionization and "frustrated" triple ionization in triatomic molecules driven by intense laser fields
• Static-field ionization model of He-like ions for diagnostics of light field intensity
• Single-photon and multi-photon Fano lines for helium and neon using tRecX-haCC