Related papers: Atomic Compton profiles within different exchange-…
We have investigated energies and spectroscopic properties such as lifetimes, $g_J$ factors, and hyperfine structure constants of the neutral atoms P through Mc belonging to Group-15, singly ionized atoms S$^+$ through Lv$^+$ of Group-16…
Collisions of metastable antiprotonic helium atoms with atoms of the medium induce, among other processes, transitions between hyperfine structure (HFS) states, as well as shifts and broadening of microwave M1 spectral lines. In order to…
We theoretically investigate kaonic atom states based on the latest high precision data of the $2p$ states of the kaonic atoms in $^3$He and $^4$He (J-PARC E62). We consider the phenomenological form for the optical potential proportional…
We develop an approach to describing coherent Compton scattering of photons in the keV energy range from hydrogen and helium atoms based on a relativistic version of the AA-approximation within the standard perturbative S-matrix formalism.…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
Scattering and ionizing cross sections and rates are calculated for ultracold collisions between metastable helium atoms using a fully quantum-mechanical close-coupled formalism. Homonuclear collisions of the bosonic ${}^{4}$He$^{*}…
he properties of excitons formed in spherical quantum dots are studied using the $\mathbf{k}\cdot\mathbf{p}$ method within the Hartree approximation. The spherical quantum dots considered have a central core and several concentric layers of…
Single-electron ionization and excitation cross sections as well as cross sections for excitation into the first excited p state of the alkali metal atoms Li(2s), Na(3s) and K(4s) colliding with antiprotons and protons were calculated using…
In the context of the density functional theory we consider the single particle excitation spectra of electron systems. As a result, we have related the single particle excitations with the eigenvalues of the corresponding Kohn-Sham…
Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…
Ensemble density functional theory extends the usual Kohn-Sham machinery to quantum state ensembles involving ground- and excited states. Recent work by the authors [Phys. Rev. Lett. 119, 243001 (2017); 123, 016401 (2019)] has shown that…
Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…
The energy levels of hydrogen and helium atoms in strong magnetic fields are calculated in this study. The current work contains estimates of the binding energies of the first few low-lying states of these systems that are improvements upon…
We benchmark three standard approximations for the many-body problem -- the Hartree-Fock, projected Hartree-Fock, and random phase approximations -- against full numerical configuration-interaction calculations of the electronic structure…
We critically examine the current status of theoretical calculations of the energies, the fine structure, and the isotope shift of the lowest-lying states of helium, searching for unresolved discrepancies with experiments. Calculations are…
Using Kohn-Sham density functional theory (KS-DFT), we have studied the interaction between various polyaromatic hydrocarbon molecules. The systems range from mono-cyclic benzene up to hexabenzocoronene (hbc). For several conventional…
A rapid and relatively simple scheme of calculation is elaborated and applied to cosmological recombination of helium. Employing the nonrelativistic Coulomb Green's function, a wavefunction of a colliding electron is represented in an…
Quantum-mechanical PT-symmetric theories associated with complex cubic potentials such as V=x^2+y^2+igxy^2 and V=x^2+y^2+z^2+igxyz, where g is a real parameter, are investigated. These theories appear to possess real, positive spectra.…
Poincare invariance, gauge invariance, conservation of parity and time reversal invariance are respected in an impulse approximation evaluation of the handbag diagram. Proton wave functions, previously constrained by comparison with…
A very specific ensemble of ground and excited states is shown to yield an exact formula for any excitation energy as a simple correction to the energy difference between orbitals of the Kohn-Sham ground state. This alternative scheme…