Related papers: Multi-reference protocol for (auto)ionization spec…
A new theoretical approach to the description of the attosecond streaking measurements of atomic photoionization is presented. It is a fully quantum mechanical description based on numerical solving of the time-dependent Schroedinger…
The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…
The emission of Auger electrons from the K-, L- and M-sheels of two configurations of copper atoms is investigated in detail within the frame work of the momentum average technique. Ab initio calculations for the bound state wavefunctions…
We present a conceptually simple and technically straightforward method for calculating photoelectron wavefunctions that is easily integrable with standard wavefunction-based density-functional-theory packages. Our method is based on the…
Single-particle resonance parameters and wave functions in spherical and deformed nuclei are determined through analytic continuation in the potential strength. In this method, the analyticity of the eigenvalues and eigenfunctions of the…
The time-dependent Schr\"odinger equation for atomic hydrogen in few-cycle laser pulses is solved numerically. Introducing a positive definite quantum distribution function in energy-position space, a straightforward comparison of the…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized final states with respect to the system size. In this work, we…
We present a combined theoretical and experimental work investigating the angle-resolved phases of the photoionization process driven by a two-color field consisting of an attosecond pulse train and an infrared pulse in an ensemble of…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
Photoelectron spectroscopy is a powerful method that provides insight into the quantum mechanical properties of a wide range of systems. The ionized electron wavefunction carries information on the structure of the bound orbital, the ionic…
We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra,…
We present angular distributions of photoelectrons of atomic model systems excited by intense linearly polarized laser pulses in the VUV- and XUV-regime. We solve the multi-dimensional time-dependent Schr\"odinger equation for one particle…
An analytical formula is developed to represent accurately the photoabsorption cross section of O I for all energies of interest in X-ray spectral modeling. In the vicinity of the Kedge, a Rydberg series expression is used to fit R-matrix…
The ionization by photon or electron impact of the inner (2a1) and outer (1t2) valence orbitals of the CH4 molecule is investigated theoretically. In spite of a number of approximations, including a monocentric approach and a rather simple…
Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized…
We investigate the photoionization spectrum of helium by attosecond XUV pulses both in the spectral region of doubly excited resonances as well as above the double ionization threshold. In order to probe for convergence, we compare three…
A model describing the electronic transitions in an atom subject to a strong high frequency laser pulse is proposed in the velocity gauge. The model accounts for the initial state coupling with the the remaining discrete and continuum…
The well-known spatial integration schemes in molecular electronic structure theory, immune to cusps and point singularities of some kind at atomic positions, use a set of weighting functions to split the integrand into a sum of…
The Schrodinger equation for an electron near an azimuthally symmetric curved surface $\Sigma$ in the presence of an arbitrary uniform magnetic field $\mathbf B$ is developed. A thin layer quantization procedure is implemented to bring the…