44 research outputs found
Exterior complex scaling as a perfect absorber in time-dependent problems
It is shown that exterior complex scaling provides for complete absorption of
outgoing flux in numerical solutions of the time-dependent Schr\"odinger
equation with strong infrared fields. This is demonstrated by computing high
harmonic spectra and wave-function overlaps with the exact solution for a
one-dimensional model system and by three-dimensional calculations for the H
atom and a Ne atom model. We lay out the key ingredients for correct
implementation and identify criteria for efficient discretization
Photoionization of few electron systems with a hybrid Coupled Channels approach
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 Schr\"odinger 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
t-SURFF: Fully Differential Two-Electron Photo-Emission Spectra
The time dependent surface flux (t-SURFF) method is extended to single and
double ionization of two electron systems. Fully differential double emission
spectra by strong pulses at extreme UV and infrared wave length are calculated
using simulation volumes that only accommodate the effective range of the
atomic binding potential and the quiver radius of free electrons in the
external field. For a model system we find pronounced dependence of shake-up
and non-sequential double ionization on phase and duration of the laser pulse.
Extension to fully three-dimensional calculations is discussed