Related papers: Hydrogen atom confined inside an inverted-Gaussian…
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
We consider an ensemble of trapped atoms interacting with a continuous wave laser field. For sufficiently polarized atoms and for a polarized light field, we may approximate the non-classical components of the collective spin angular…
Hydrogenation of amorphous silicon (a-Si:H) is critical for reducing defect densities, passivating mid-gap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modelling the atomic scale structure…
The homogeneous Lippmann-Schwinger integral equation is solved in momentum space by using confining potentials. Since the confining potentials are unbounded at large distances, they lead to a singularity at small momentum. In order to…
We consider the cold bosonic ensemble trapped by a helical interference pattern in the optical \textit{loop} scheme. This rotating helical potential is produced by the two slightly detuned counter propagating Laguerre-Gaussian laser beams…
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…
We calculate the energies of ground and three low lying excited states of confined helium atom centered in an impenetrable spherical box. We perform the calculation by employing variational method with two-parameter variational forms for…
In this paper the N=2 supersymmetric extension of the Schroedinger Hamiltonian with 1/r-potential in arbitrary space-dimensions is constructed. The supersymmetric hydrogen atom admits a conserved Laplace-Runge-Lenz vector which extends the…
The encapsulation of hydrogen within fullerene/fullerane cages offers a promising avenue for studying high pressure hydrogen dynamics. Through ab initio molecular dynamics simulations, we investigate the behavior of a system consisting of…
The hydrogen atom theory is developed for the de Sitter and anti de Sitter spaces on the basis of the Klein-Gordon-Fock wave equation in static coordinates. In both models, after separation of the variables, the problem is reduced to the…
We describe experiments with spin-polarized atomic hydrogen gas adsorbed on liquid $^{4}$He surface. The surface gas density is increased locally by thermal compression up to $5.5\times10^{12}$ cm$^{-2}$ at 110 mK. This corresponds to the…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…
The Lab\'ik and Smith Monte Carlo simulation technique to implement the Widom particle insertion method is applied using Molecular Dynamics (MD) instead to calculate numerically the insertion probability, $P_0(\eta,\sigma_0)$, of tracer…
A detailed analysis on the effect of spherical impenetrable confinement on the structural properties of two-electron ions in S-states have been done. The energy values of 1sns [n = 2-4] (3Se) states of helium-like ions (Z = 2-5) are…
The idea of ``soft'' confinement when the lifetime of hadron with respect to quark-gluon channel of decay is greater or at least of the order of some characteristic time for our Universe is considered. Within the framework of a model of…
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…
We report on highly accurate calculations of Born-Oppenheimer potentials for excited $n\,\Sigma^{+}$ states of the hydrogen molecule for all possible combinations of singlet/triplet and gerade/ungerade symmetries up to $n=7$. A relative…
We study frequency domain electromagnetic scattering at a bounded, penetrable, and inhomogeneous obstacle $ \Omega \subset \mathbb{R}^3 $. From the Stratton-Chu integral representation, we derive a new representation formula when constant…
The molecular ion H$_2^+$ is studied under strong confinement conditions produced by a spherical barrier centered in the gravity center of the molecule. Results for the potential curves are obtained by diffusion Monte Carlo methods for the…
A numerical algorithm based on the probabilistic path integral approach for solving Schroedinger equation has been devised to treat molecular systems without Born-Oppenheimer approximation in the non relativistic limit at zero temperature…