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A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to…
Spin-isospin transitions in nuclei away from the valley of stability are essential for the description of astrophysically relevant weak interaction processes. While they remain mainly beyond the reach of experiment, theoretical modeling…
We analytically compute, in the first Born approximation for symmetric and asymmetric coplanar geometries, the triple differential cross sections for electron-impact ionization of hydrogen atom in the metastable 2S-state at both low and…
We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using variational method with explicitly correlated functions which satisfy the interelectronic cusp condition. The new…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
Impossibility of finding local realistic models for quantum correlations due to entanglement is an important fact in foundations of quantum physics, gaining now new applications in quantum information theory. We present an in-depth…
We present here a model of the exchange-correlation hole for strongly correlated systems using a simple nonlocal generalization of the Wigner--Seitz radius. The model behaves similarly to the strictly correlated electron approach, which…
New ways to treat electron correlation in electronic structure problems are discussed in the context of many-electron theory. The present work focuses primarily on static correlation. In related work, a method for including dynamical…
Atomic data and plasma models play a crucial role in the diagnosis and interpretation of astrophysical spectra, thus influencing our understanding of the universe. In this investigation we present a systematic comparison of the leading…
In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…
The interplay of kinetic electron physics and atomic processes in ultrashort laser-plasma interactions provides a comprehensive understanding of electron energy distribution's impact on plasma properties. Notably, non-equilibrium electrons…
We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…
Interaction of non-relativistic electrons with single crystal target may produce coherent x-rays. That is the result of interference between two known x-ray generation mechanisms having orientational behavior, namely parametric x-rays and…
The generation of electron vortex states in ionization by intense and short laser pulses is analyzed under the scope of the lowest-order Born approximation. For near infrared laser fields and nonrelativistic intensities of the order of…
Accurate measurements of electron density are critical for determination of the plasma properties in the solar corona. We compare the electron densities diagnosed from Fe XIII lines observed by the Extreme-Ultraviolet Imaging Spectrometer…
Recently a variety of studies have shown the importance of including non-locality in the description of reactions. The goal of this work is to revisit the phenomenological approach to determining non-local optical potentials from elastic…
Ultraintense pulses from X-ray free-electron lasers can drive, within femtoseconds, multiple processes in the inner shells of atoms and molecules in all phases of matter. The ensuing complex ionization pathways of outer-shell electrons from…
All available experimental data on the spectrum of singly ionized carbon have been critically analyzed. Measurement uncertainties of all published studies have been re-assessed. The scope of observational data includes laboratory emission…
We present a self-consistent approach for computing the correlated quasiparticle spectrum of charged excitations in iterative $\mathcal{O}[N^5]$ computational time. This is based on the auxiliary second-order Green's function approach [O.…
Theoretical descriptions of the spectrum of electronic excitations in real metals have not yet reached a fully predictive, "first-principles" stage. In this paper we begin by presenting brief highlights of recent progress made in the…