Related papers: Complete Numerical Solution of the Temkin-Poet Thr…
The transcorrelated (TC) method performs a similarity transformation on the electronic Schr\"odinger equation via Jastrow factorization of the wave function. This has demonstrated significant advancements in computational electronic…
We present a new, mathematically rigorous, method suitable for bound state and scattering processes calculations for various three atomic or molecular systems where the underlying forces are of a hard-core nature. We employed this method to…
We investigate the accuracy of a number of wavefunction based methods at the heart of quantum chemistry for metallic systems. Using Hartree-Fock as a reference, perturbative (M{\o}ller-Plesset, MP) and coupled cluster (CC) theories are used…
One of the most remarkable observations in heavy-ion collisions is the systematic regularity exhibited by pseudorapidity distributions of charged particles across collision energies. While single-source models fail at higher energies and…
The three-body dynamics of the ionization of the atomic hydrogen by 30 keV antiproton impact has been investigated by calculation of fully differential cross sections (FDCS) using the classical trajectory Monte Carlo (CTMC) method. The…
We consider spherically symmetric, asymptotically flat space-times with a collisionless gas as matter model. Many properties of the resulting Vlasov-Einstein system are not yet accessible by purely analytical means. We present a discretized…
We present a finite volume scheme for modeling the diffusion of charged particles, specifically ions, in constrained geometries using a degenerate Poisson-Nernst-Planck system with size exclusion yielding cross-diffusion. Our method…
We present cross sections for electron-impact-induced transitions n --> n' in hydrogen-like ions C 5+, Ne 9+, Al 12+, and Ar 17+. The cross sections are computed by Coulomb-Born with exchange and normalization (CBE) method for all…
The Faddeev equation for three-body scattering at arbitrary energies is formulated in momentum space and directly solved in terms of momentum vectors without employing a partial wave decomposition. In its simplest form the Faddeev equation…
Within the framework of a functional integral formalism incorporating ionic charge and hard-core (HC) interactions on an equal footing, we formulate a unified theory of equilibrium thermodynamics and ion association in charged solutions.…
We present an extension of the pair coupled cluster doubles (p-CCD) method to quasiparticles and apply it to the attractive pairing Hamiltonian. Near the transition point where number symmetry gets spontaneously broken, the proposed…
Electron emission from hydrogen atoms induced by antiproton impact at intermediate energies is investigated using the one-centre Basis Generator Method within a semi-classical impact-parameter framework. The formulation employs a…
We employ correlation-consistent effective core potentials (ccECPs) to perform exact or nearly exact correlation and total energy calculations for the fifth-row elements (Rb-Xe). Total energies are calculated using various correlated…
Ab-initio electron - liquid phase xenon fully differential cross-sections for electrons scattering in liquid xenon are developed from a solution of the Dirac-Fock scattering equations, using a recently developed framework [1] which…
This paper mainly considers three iterations based on charge-conservative finite element approximation in Lipschitz domain for the stationary thermally coupled inductionless MHD equations. Based on the hybrid finite element method, the…
A new type of basis functions is proposed to describe a two-electron continuum which arises as a final state in electron-impact ionization and double photoionization of atomic systems. We name these functions, which are calculated in terms…
We experimentally determined various thermodynamic quantities of interacting two-component fermions at the zero-temperature limit from the Bardeen-Cooper-Schrieffer (BCS) region to the unitarity limit. The obtained results are very accurate…
This paper is concerned with the inverse problem to recover a compactly supported Schr{\"o}dinger potential given the differential scattering cross section, i.e. the modulus, but not the phase of the scattering amplitude. To compensate for…
Results. We consider the problem of isotropic collisions between an alkali atom and neutral hydrogen. We calculate the collisional tensorial components of general p and s-states, characterized by their effective principal quantum number…
A theoretical method for the estimation of cross sections and rates for excitation and charge transfer processes in low-energy hydrogen atom collisions with neutral atoms, based on an asymptotic two-electron model of ionic-covalent…