Related papers: Computing photoionization spectra in Gaussian basi…
We present coefficients for the calculation of the continuous emission spectra of HI, HeI and HeII due to electron-ion recombination. Coefficients are given for photon energies from the first ionization threshold for each ion to the n=20…
We derive analytical expressions for the photon polarization tensor in circularly polarized Hermite- and Laguerre-Gaussian beams, complementing the corresponding results for linearly polarized beams obtained recently. As they are based upon…
We investigate the performance of the range-separated hybrid (RSH) scheme, which combines long-range Hartree-Fock (HF) and a short-range density-functional approximation (DFA), for calculating photoexcitation/photoionization spectra of the…
We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is…
We continue our study of the quantum optics of a single photon interacting with a system of two level atoms. In this work we investigate the case of a periodic arrangement of atoms. We provide a general structure theorem characterizing the…
We calculate the photo-ionization cross-section from the ground state of the helium atom, using the complex rotation method and diagonalization of sparse matrices. This produces directly the positions and widths of the doubly excited 1Po…
Photoionization dynamics of the RNA base Uracil is studied in the framework of Density Functional Theory (DFT). The photoionization calculations take advantage of a newly developed parallel version of a multicentric approach to the…
We show that the complete photoemission dynamics in situations of electron-ion entanglement can be retrieved from photoelectron spectral measurements without information on the ion. To this end, we develop an energy-time analysis of the…
Crank-Nicolson (C-N) Method combined with $ B $-spline basis set can be used in both time-dependent and time-independent calculations of the photoionization cross sections of atoms and molecules. For time-independent systems, it is found…
Imaging structures at the molecular level is a fast developing interdisciplinary research field that spans across the boundaries of physics and chemistry. High spatial resolution images of molecules can be obtained with photons or ultrafast…
Although it seems that obtaining quantum properties of light from classical calculations is a self-contradictory claim, it is shown here that a unified mechanism governs the three distinct measurements of high harmonic generation spectra…
Considering the effective Euler-Heisenberg Lagrangian, i.e., non-linear photon-photon interactions, we study the circular polarization of electromagnetic radiation based on the time-evolution of Stokes parameters. To the leading order, we…
In this paper we present a mathematical analysis of the photoelectric effect for one-electron atoms in the framework of non-relativistic QED. We treat photo-ionization as a scattering process where in the remote past an atom in its ground…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We explore the computation of high-harmonic generation spectra by means of Gaussian basis sets in approaches propagating the time-dependent Schr{\"o}dinger equation. We investigate the efficiency of Gaussian functions specifically designed…
This paper presents a new Bayesian model and algorithm for nonlinear unmixing of hyperspectral images. The model proposed represents the pixel reflectances as linear combinations of the endmembers, corrupted by nonlinear (with respect to…
The determination of spectral properties from first principles can provide powerful connections between microscopic theoretical predictions and experimental data, but requires complex electronic-structure formulations that fall outside the…
We calculate the recombination spectra of the He-like ions He~I, C~V, N~VI, O~VII, Ne~IX, Mg~XI, Si~XIII, S~XV, Ar~XVII, Ca~XIX, and Fe~XXV. We include the following physical processes: radiative recombination, dielectronic recombination,…
We report a numerical calculation of the two-photon absorption coefficient of electrons in a binding potential using the real-time real-space higher-order difference method. By introducing random vector averaging for the intermediate state,…
Recent experimental work on the photorecombination and the photoionization of astrophysically relevant atomic ions employing the merged-beams technique at heavy-ion storage-rings and synchrotron-light sources, respectively, is summarized.…