Calculation of photoelectron spectra within the time-dependent configuration interaction singles scheme

Abstract

We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses the detection of the photoelectron poses a computational challenge because propagating the outgoing photoelectron wavepacket requires large grid sizes. Two different methods which allow for the extraction of the asymptotic photoelectron momentum are compared regarding their methodological and computational performance. The first method follows the scheme of Tong et al. \cite{tong} where the photoelectron wavefunction is absorbed by a real splitting function. The second method after Tao and Scrinzi \cite{scrinzi} measures the flux of the electron wavepacket through a surface at a fixed radius. With both methods the full angle- and energy-resolved photoelectron spectrum is obtained. Combined with the TDCIS scheme it is possible to analyze the dynamics of the outgoing electron in a channel-resolved way and, additionally, to study the dynamics of the bound electrons in the parent ion. As an application, one-photon and above-threshold ionization (ATI) of argon following strong XUV irradiation are studied via energy- and angle-resolved photoelectron spectra.

23 pages, 8 figures. The article has been accepted by Physical Review A

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Cited by in corpus (8)

• Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
• Dissociative ionization of H2+ using intense femtosecond XUV laser pulses
• Nonsequential double ionization with time-dependent renormalized-natural-orbital theory
• Maximizing Hole Coherence in Ultrafast Photoionization of Argon with SPA-Optimization
• Simulation of a Hydrogen Atom in Laser Field Using the Time-Dependent Variational Principle
• Wave-packet propagation based calculation of above-threshold ionization in the x-ray regime
• Electron correlation effects in enhanced-ionization of diatomic molecules in near-infrared fields
• Nonlinear effects in photoionization over a broad photon-energy range within the TDCIS scheme