Related papers: Visualization of Coulomb Correlations in Finite Me…
Most of the novel energy materials contain multiple elements occupying a single site in their lattice. The exceedingly large configurational space of these materials imposes challenges in determining their ground-state structures. Coulomb…
This study investigates the structural stability of ionized gold clusters of sizes ranging from 22 to 100 atoms, contrasting compact, cage and planar structures. While it is well known that neutral clusters in the upper part of this size…
Static properties of an anharmonic potential model for planar two-electron quantum dots are investigated using a method which allows for the exact representation of the matrix elements, including the full Coulombic electron - electron…
We formulate a three-dimensional semi-classical model to address triple and double ionization in three-electron atoms driven by intense infrared laser pulses. During time propagation, our model fully accounts for the Coulomb singularities,…
In this paper, we address the challenge of obtaining a comprehensive and symmetric representation of point particle groups, such as atoms in a molecule, which is crucial in physics and theoretical chemistry. The problem has become even more…
We study interaction-induced localization of electrons in an inhomogeneous quasi-one-dimensional system--a wire with two regions, one at low density and the other high. Quantum Monte Carlo techniques are used to treat the strong Coulomb…
We systematically study the properties of a charged Coulomb Bose gas with dipole-dipole interactions in the weak coupling limit at both zero and finite temperatures using the Hartree-Fock-Bogoliubov approach. We numerically analyze the…
While investigating quantum correlations in atomic systems, we note that single measurements contain information about these correlations. Using a simple model of measurement -- analogous to the one used in quantum optics -- we show how to…
Dielectrically confined Coulomb systems are widely employed in molecular dynamics (MD) simulations. Despite extensive efforts in developing efficient and accurate algorithms for these systems, rigorous and accurate error estimates, which…
The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the…
The evolution of static dielectric constants and polarization with doping are analyzed and discussed using established experimental results. The variation of screened Coulomb potential with doping is derived theoretically to justify the…
We consider the interaction of electromagnetic radiation of arbitrary polarization with multi-level atoms in a self-consistent manner, taking into account both spatial and temporal dependencies of local fields. This is done by numerically…
The paradigmatic state of a 1D collective metal, the Tomonaga-Luttinger liquid (TLL), offers us an exact analytic solution for a strongly interacting quantum system not only for infinite systems at zero temperature but also at finite…
We present theoretical investigation of spatial charge distribution in the two-level system with strong Coulomb correlations by means of Heisenberg equations analysis for localized states total electron filling numbers taking into account…
This study extends previous analytical solutions of concentration-polarization occurring solely in the depleted region, to the more realistic geometry consisting of a three dimensional (3D) heterogeneous ion-permselective medium connecting…
Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…
The Coulomb blockade in an open quantum dot connected to a bulk lead by a single mode point contact is studied numerically using the path-integral Monte Carlo method. The Coulomb oscillation of the average charge and capacitance of the dot…
Electrodynamical coupled cluster (CC) methodologies have been formulated employing standard QED Hamiltonian that is written in Coulomb gauge while using the DF and the MCDF pictures of the matter field for closed-shell and open-shell cases…
We investigate the role of the electron correlation effects in the calculations of the electric dipole polarizabilities (\alpha) of elements belonging to three different groups of periodic table. To understand the propagation of the…
The manipulation of two-dimensional materials via their dielectric environment offers novel opportunities to control electronic as well as optical properties and allows to imprint nanostructures in a non-invasive way. Here we asses the…