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We solve the three-dimensional time-dependent Schr\"{o}dinger equation for a few-cycle circularly polarized femtosecond laser pulse interacting with an oriented target exemplified by an Argon atom, initially in a $3\text{p}_{x}$ or…
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…
Analytical solutions of the Schrodinger equation are obtained for some diatomic molecular potentials with any angular momentum. The energy eigenvalues and wave functions are calculated exactly. The asymptotic form of the equation is also…
We study the elastic scattering of slow electrons by two-atomic molecule in the frame of non-overlapping atomic potentials model. The molecular continuum wave function is represented as a combination of a plane wave and two spherical…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in…
Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computational electrochemical methods are essential to ensure their…
We present $R$-matrix calculations of photoabsorption and photoionization cross sections across the K-edge of Mg, Si, S, Ar, and Ca ions with more than 10 electrons. The calculations include the effects of radiative and Auger damping by…
We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N2 with Free-Electron-Laser…
We analyze the photoelectron angular distribution in two-pathway interference between non\-resonant one-photon and resonant two-photon ionization of neon. We consider a bichromatic femtosecond XUV pulse whose fundamental frequency is tuned…
In this work we present a new method of approximating the continuum wavefunctions with a discrete basis set. This method aims to be at least compatible with other well known methods of the electronic structure theory to describe processes…
For a molecule, the two-center interference and the molecular scattering phase of the electron are important for almost all the processes that may occur in a laser field. In this study, we investigate their effects in the transfer of linear…
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…
The ICARUS and future liquid argon neutrino experiments generate demand for evaluating the spectral function of argon. In this paper we use oxygen nucleus as a testing ground for our phenomenological approach to the spectral function and…
In this study, we present analytical solutions of the Schr\"odinger equation with the Multiparameter potential containing the different types of physical potential via the asymptotic iteration method (AIM) by applying a Pekeris-type…
We analyze the general radiation emission mechanism from a charged particle moving in a curved inhomogeneous magnetic field. The consideration of the gradient makes the curved vacuum magnetic field compatible with the Maxwell equations and…
We study a nonlinear Schr\"odinger equation which arises as an effective single particle model in X-ray Free Electron Lasers (XFEL). This equation appears as a first-principles model for the beam-matter interactions that would take place in…
A numerical method of solving the one-dimensional Schrodinger equation for the regular and irregular continuum states using the phase-amplitude representation is presented. Our solution acquires the correct Dirac-delta normalization by…
We introduce an efficient first-principles framework for simulating angle-resolved photoemission spectroscopy (ARPES) based on the direct computation of photoelectron states as solutions of the Kohn-Sham equation with scattering boundary…
The complex Kohn variational method is extended to compute light-driven electronic transitions between continuum wavefunctions in atomic and molecular systems. This development enables the study of multiphoton processes in the perturbative…
The article discusses how the pattern of elastic scattering of an electron on a pair of identical atomic spheres will look if we abandon the standard in the molecular physics assumption that, outside the molecular sphere, in the external…