Related papers: Hydrogen atom confined inside an inverted-Gaussian…
The variational method is used to study the hard confinement of a two-particle quantum system in two potential models, the Cornell potential and the global potential, with Dirichlet-type boundary conditions at various cut-off radii. The…
Photoionization of a Xe atom confined inside C$_{60}$ has been studied using the random phase approximation with exchange (RPAE) method. The C$_{60}$ fullerene has been descr ibed by an attractive short range spherical well with potential…
We present extensive molecular dynamics (MD) simulations investigating numerous candidate crystal structures for hydrogen in conditions around the present experimental frontier (400GPa). Spontaneous phase transitions in the simulations…
The infrared behaviour of the standard model at finite temperature is determined by the confining phase of the SU(2)-Higgs model in three dimensions. Due to the Landau singularity of the three-dimensional gauge theory the perturbative…
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…
We solve the quantum-mechanical antiferromagnetic Heisenberg model with spins positioned on vertices of the truncated icosahedron using the density-matrix renormalization group (DMRG). This describes magnetic properties of the undoped…
In this article we are going to study the FEM solution to the Density Functional description of Helium. Solving self-consistently including electron-electron repulsion and exchange-correlation effects. This project will be split in four…
We study the ionization process involving antiproton and hydrogen in the energy range between 0.1 keV to 500 keV, using single center close coupling approximation. We construct the scattering wave function using B-spline bases. The results…
Recently, magnetic order in highly oriented pyrolytic graphite (HOPG) induced by proton broad- and microbeam irradiation was discovered. Theoretical models propose that hydrogen could play a major role in the magnetism mechanism. We…
In this work, we used a tool of conventional Nikiforov-Uvarov method to determine bound state solution of Schrodinger equation with quantum interaction potential called Hulthen-Yukawa inversely quadratic potential (HYIQP). We obtained the…
The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of hydrogen and deuterium at low temperatures and high-pressure…
The Hamiltonian of a pure hydrogen atom possesses the SO(4) symmetry group generated by the integrals of motion: the angular momentum and the Runge-Lenz vector. The pure hydrogen atom is a supersymmetric and superintegrable system, since…
Using the method of the "exact discretization" of the Schr\"odinger equation, we propose a particular discretized version of the N=2 Supersymmetric Quantum Mechanics. After defining the corresponding shape invariance condition, we show that…
A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…
We have extended our experimentally constrained molecular relaxation technique (P. Biswas {\it et al}, Phys. Rev. B {\bf 71} 54204 (2005)) to hydrogenated amorphous silicon: a 540-atom model with 7.4 % hydrogen and a 611-atom model with 22…
An embedding scheme is developed for the Dirac Hamiltonian H. Dividing space into regions I and II separated by surface S, an expression is derived for the expectation value of H which makes explicit reference to a trial function defined in…
The ring-shaped Hartmann potential $ V = \eta \sigma^{2} \epsilon_{0} \left( \frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right) $ was introduced in quantum chemistry to describe ring-shaped molecules like benzene. In…
The energy spectrum and corresponding wave functions of two bosonic particles confined in a spherically symmetric shell trap and interacting via a three-dimensional zero-range potential are computed. Confinement-induced resonances,…
The dynamic hyperpolarizability of a particle bound by the one-dimensional $\delta$-function potential is obtained in closed form. On the first step, we analyze the singular structure of the non-linear response function as given by the…
We demonstrate an effective method for calculating bound-to-continuum cross-sections by examining transitions to bound states above the ionization energy that result from placing the system of interest within an infinite spherical well.…