Related papers: Computing photoionization spectra in Gaussian basi…
Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the…
We reflect on the prospect of exploiting the recoil associated with absorption and emission of photons to perform spectroscopy of a single molecular ion. For this recoil to be detectable, the molecular ion is sympathetically cooled by a…
A new modeling way of describing the continuous absorption of electromagnetic (EM) radiation in dense partially ionized hydrogen plasma is tested in this work. It is shown that the obtained results give a possibility of calculating spectral…
We present algorithms for solving spatially nonlocal diffusion models on the unit sphere with spectral accuracy in space. Our algorithms are based on the diagonalizability of nonlocal diffusion operators in the basis of spherical harmonics,…
We compare numerical methods for solving the radiative transfer equation in the context of the photoionization of intergalactic gaseous hydrogen and helium by a central radiating source. Direct integration of the radiative transfer equation…
In our work we construct a Hamiltonian, whose eigenstates approximate the solutions of the self-consistent Hartree-Fock equations for nonrelativistic atoms and ions. Its eigenvalues are given by completely algebraic expressions and the…
The time-dependent surface flux (t-SURFF) method is introduced for computing of strong-field infrared photo-ionization spectra of atoms by numerically solving the time-dependent Schr\"odinger equation on minimal simulation volumes. The…
With the aim of estimating the abundance map from observations only, linear unmixing approaches are not always suitable to spectral images, especially when the number of bands is too small or when the spectra of the observed data are too…
In this work we construct Gaussian beam approximations to solutions of the high frequency Helmholtz equation with a localized source. Under the assumption of non-trapping rays we show error estimates between the exact outgoing solution and…
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 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…
The evaluation of the electron-ion bremsstrahlung cross section exact to all orders in the Coulomb potential is computationally expensive due to the appearance of hypergeometric functions. Therefore tabulations are widely used. Here, we…
In this paper, we provide a procedure to calculate the bremsstrahlung spectrum for virtually any relativistic bare ion with charge 6$e$ or beyond, $Z\ge 6$, in ultraperipheral collisions with target nuclei. We apply the…
Closed analytical formulas are derived for the differential and total cross sections of the non-relativistic photoelectric effect in the three main classes of few-electron atomic systems: (1) neutral atoms and positively charged atomic ions…
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving…
Methods for calculating an electron density of a periodic crystal constructed using non-orthogonal localised orbitals are discussed. We demonstrate that an existing method based on the matrix expansion of the inverse of the overlap matrix…
In the semiclassical picture of photoionization process in intense laser fields, the ionization rate solely depends on the amplitude of the electric field and the final photoelectron momentum corresponds to the instant of ionization of the…
Wichmann-Kroll corrections are calculated in both hydrogen-like electronic ions and muonic systems ($Z = \{36$--$92\}$) using two independent methods. The Gaussian finite basis set approach, enhanced with dual basis construction, analytical…
We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on the molecular alignment…
The feasibility of complete photoionization experiments, in which the full set of photoionization matrix elements are determined, using multiphoton ionization schemes with polarization-shaped pulses has recently been demonstrated [Hockett…