Related papers: Multi-reference protocol for (auto)ionization spec…
We analyze the spectrum of a discrete Schrodinger operator with a potential given by a periodic variant of the Anderson Model. In order to do so, we study the uniform hyperbolicity of a Schrodinger cocycle generated by the SL(2,R) transfer…
Single and multi-photon ionization of aligned molecular ensembles is examined, with a particular focus on the link between the molecular axis distribution and observable in various angle-integrated and angle-resolved measurements. To…
Autoionization, which results from the interference between direct photoionization and photoexcitation to a discrete state decaying to the continuum by configuration interaction, is a well known example of the important role of electron…
An autoionizing resonance in molecular N$_2$ is excited by an ultrashort XUV pulse and probed by a subsequent weak IR pulse, which ionizes the contributing Rydberg states. Time- and angular-resolved photoelectron spectra recorded with a…
The hydrogen atom is a system amenable to an exact treatment within Schroedinger's formulation of quantum mechanics according to coordinates in four systems -- spherical polar, paraboloidal, ellipsoidal and spheroconical coordinates; the…
X-ray photoabsorption cross sections have been computed for all magnesium ions using the $R$-matrix method. A comparison with the other available data for Mg II-Mg X shows good qualitative agreement in the resultant resonance shapes.…
With an eye on plasma walls we investigate, within an effective model for the two active electrons involved in the process, secondary electron emission due to Auger de-excitation of metastable nitrogen $N_2(^3\sigma^+_u)$ molecules at…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
In the present paper, we propose a variational average-atom model of electron-ion plasma performing a quantum treatment of bound electrons and accounting for correlations (VAAQBEC). This model addresses the correlation functions in a…
We present a numerical tool for solving the non-relativistic Kohn-Sham problem for spherically-symmetric atoms. It treats the Schr\"{o}dinger equation as an integral equation relying heavily on convolutions. The solver supports different…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
Absorbing boundaries are frequently employed in real-time propagation of the Schr\"odinger equation to remove spurious reflections and efficiently emulate outgoing boundary conditions. These conditions are a fundamental ingredient for an…
We present calculations for attosecond atomic delays in photoionization of noble gas atoms based on full two-color two-photon Random-Phase Approximation with Exchange in both length and velocity gauge. Gauge invariant atomic delays are…
We apply the spectral element method to the determination of scattering and bound states of the multichannel Schr\"odinger equation. In our approach the reaction coordinate is discretized on a grid of points whereas the internal coordinates…
The shifted Tietz-Wei (sTW) oscillator is as good as traditional Morse potential in simulating the atomic interaction in diatomic molecules. By using the Pekeris-type approximation to deal with the centrifugal term, we obtain the…
We demonstrate an effective method for calculating bound-to-continuum cross-sections by examining transitions to bound states above the ionization energy that result from placing the system of interest within an infinite spherical well.…
We present a non-perturbative solution of the Schr\"odinger equation $i\psi_t(t,x)=-\psi_{xx}(t,x)-2(1 +\alpha \sin\omega t) \delta(x)\psi(t,x)$, written in units in which $\hbar=2m=1$, describing the ionization of a model atom by a…
Photoelectron circular dichroism refers to the forward/backward asymmetry in the photoelectron angular distribution with respect to the propagation axis of circularly polarized light. It has recently been demonstrated in femtosecond…
For the description of an H2 molecule an effective one-electron model potential is proposed which is fully determined by the exact ionization potential of the H2 molecule. In order to test the model potential and examine its properties it…
Realistic attosecond wave packets have complex profiles that, in dispersive conditions, rapidly broaden or split into multiple components. Such behaviors are encoded in sharp features of the wave packet spectral phase. Here, we exploit the…