We calculate the ground--state energy and other physical properties of the hydrogen atom inside a spherical box with an impenetrable wall. We apply the variational method and perturbation theory and compare both approximate results. We show that the total, kinetic and potential energies for the moving--nucleus model are greater than those for the case in which the nucleus is clamped at the box center.
We study the hydrogen atom confined to a spherical box with impenetrable walls but, unlike earlier pedagogical articles on the subject, we assume that the nucleus also moves. We obtain the ground-state energy approximately by means of first--order perturbation theory and by a more accurate variational approach. We show that it is greater than the one for the case in which the nucleus is clamped at the center of the box. Present approach resembles the well-known treatment of the helium atom with clamped nucleus.
The position and momentum spreading of the electron distribution of the two-dimensional confined hydrogenic atom, which is a basic prototype of the general multidimensional confined quantum systems, is numerically studied in terms of the confinement radius for the 1s, 2s, 2p and 3d quantum states by means of the main entropy and complexity information-theoretic measures. First, the Shannon entropy and the Fisher information as well as the associated uncertainty relations are computed and discussed. Then, the Fisher-Shannon, LMC and LMC-Rényi complexity measures are examined and mutually compar…
We discuss the application of perturbation theory to a system of particles confined in a spherical box. A simple argument shows that the particles behave almost independently in sufficiently strong confinement. We choose the helium atom with a moving nucleus as a particular example and compare results of first order with those for the nucleus clamped at the center of the box. We provide a suitable explanation for some numerical results obtained recently by other authors.
The internal disorder of the two-dimensional confined hydrogenic atom is numerically studied in terms of the confinement radius for the 1\textit{s}, 2\textit{s}, 2\textit{p} and 3\textit{d} quantum states by means of the statistical Crámer-Rao complexity measure. First, the confinement dependence of the variance and the Fisher information of the position and momentum spreading of its electron distribution are computed and discussed. Then, the Crámer-Rao complexity measure (which quantifies the combined balance of the charge concentration around the mean value and the gradient content of the el…
Several well-known statistical measures similar to \emph{LMC} and \emph{Fisher-Shannon} complexity have been computed for confined hydrogen atom in both position ($r$) and momentum ($p$) spaces. Further, a more generalized form of these quantities with Rényi entropy ($R$) is explored here. The role of scaling parameter in the exponential part is also pursued. $R$ is evaluated taking order of entropic moments $α, β$ as $(\frac{2}{3},3)$ in $r$ and $p$ spaces. Detailed systematic results of these measures with respect to variation of confinement radius $r_c$ is presented for low-lying states suc…
This article presents the generalization of a zero spin hydrogen atom to a relativistic atomic model of hydrogen with dyons using the Klein--Gordon equation. The derivation of the Klein--Gordon equation for the particle of relative motion is shown. In addition, the analytical solutions of the equation are calculated in terms of Whittaker functions and Jacobi weighted polynomials. The discrete spectrum of energy, and the charge density of the orbiting dyon are presented. For a system of positive magnetic and electric charges in the nucleus and negative charges for the orbiting particle, and con…
Shell confined atom can serve as a generalized model to explain both \emph{free} and \emph{confined} condition. In this scenario, an atom is trapped inside two concentric spheres of inner $(R_{a})$ and outer $(R_{b})$ radius. The choice of $R_{a}, R_{b}$ renders four different quantum mechanical systems. In hydrogenic atom, they are termed as (a) free hydrogen atom (FHA) (b) confined hydrogen atom (CHA) (c) shell-confined hydrogen atom (SCHA) (d) left-confined hydrogen atom (LCHA). By placing $R_{a}, R_{b}$ at the location of radial nodes of respective \emph{free} $n,\ell$ states, a new kind o…
The spectral characterization of Coulomb systems confined by the homogeneous pseudo-Gaussian oscillator is investigated. This is made using the efficient computational method of generating functional. Also, the method is used for the spectral characterization of homogeneous harmonic oscillator confinement, found as a particular case of pseudo-Gaussian oscillator confinement. Finally the aspect of confinement with an impenetrable sphere of finite radius is considered by studying its conjugate effect along with harmonic oscillator upon the atom.
Fisher information (I) is investigated for confined hydrogen atom (CHA)-like systems in conjugate $r$ and $p$ spaces. A comparative study between CHA and free H atom (with respect to $I$) is pursued. In many aspects, inferences in CHA are significantly different from free counterpart; that includes its dependence on $n, l, m$. The role of atomic number and atomic radius is discussed. Further, a detailed systematic result of $I$ with respect to variation of confinement radius $r_c$ is presented, with particular emphasis on \emph{non-zero}-$(l,m)$ states. Several new interesting observations are…
The diffusion Monte Carlo method with symmetry-based state selection is used to calculate the quantum energy states of H$_2^+$ confined into potential barriers of atomic dimensions (a model for these ions in solids). Special solutions are employed permitting one to obtain satisfactory results with rather simple native code. As a test case, $^2Π_u$ and $^2Π_g$ states of H$_2^+$ ions under spherical confinement are considered. The results are interpreted using the correlation of H$_2^+$ states to atomic orbitals of H atoms lying on the confining surface and perturbation calculations. The method …
We study the hydrogen atom eigenstate energy and wave function in the Rindler space. The probability distribution is tilted because the electric field of the nucleus is no longer spherically symmetric. The hydrogen atom therefore cannot be treated exactly in the same way as what it is in an inertial frame. We also find that if the external force accelerates only the nucleus and then the nucleus accelerates its surrounding electrons through electromagnetic force, the electrons can tunnel through the local energy gap and split the hydrogen atom into an ion. This is similar to what one expects fr…
We present a theory for excitation of heavy hydrogen-like projectile-ions by light target-atoms in collisions where the momentum transfers to the atom are very large on the atomic scale. It is shown that in this process the electrons and the nucleus of the atom behave as (quasi-) free particles with respect to each other and that their motion is governed by the field of the nucleus of the ion. The effect of this field on the atomic particles can be crucial for the contribution to the excitation of the ion caused by the electrons of the atom. Due to comparatively very large nuclear mass, howeve…
In a recent study of the self-adjoint extensions of the Hamiltonian of a particle confined to a finite region of space, in which we generalized the Heisenberg uncertainty relation to a finite volume, we encountered bound states localized at the wall of the cavity. In this paper, we study this situation in detail both for a free particle and for a hydrogen atom centered in a spherical cavity. For appropriate values of the self-adjoint extension parameter, the bound states lo calized at the wall resonate with the standard hydrogen bound states. We also examine the accidental symmetry generated b…
Relative Fisher information (IR), which is a measure of correlative fluctuation between two probability densities, has been pursued for a number of quantum systems, such as, 1D quantum harmonic oscillator (QHO) and a few central potentials namely, 3D isotropic QHO, hydrogen atom and pseudoharmonic potential (PHP) in both position ($r$) and momentum ($p$) spaces. In the 1D case, the $n=0$ state is chosen as reference, whereas for a central potential, the respective circular or node-less (corresponding to lowest radial quantum number $n_{r}$) state of a given $l$ quantum number, is selected. Sta…
The localization of the valence electron of $H$, $Li$ and $Na$ atoms enclosed by three different fullerene molecules is studied. The structure of the fullerene molecules is used to calculate the equilibrium position of the endohedrally atom as the minimum of the classical $(N+1)$-body Lennard-Jones potential. Once the position of the guest atom is determined, the fullerene cavity is modeled by a short range attractive shell according to molecule symmetry, and the enclosed atom is modeled by an effective one-electron potential. In order to examine whether the endohedral compound is formed by a …
We consider optical high harmonic generation in a hydrogen atom confined in a breathing spherical box by considering atomic nucleus as fixed at the center of sphere. In such spherically symmetric, dynamical trap, the high harmonic generation spectrum is calculated at different values of the oscillation amplitude, confinement size and atomic nucleus charge.
Shannon entropy ($S$), R{é}nyi entropy ($R$), Tsallis entropy ($T$), Fisher information ($I$) and Onicescu energy ($E$) have been explored extensively in both \emph{free} H atom (FHA) and \emph{confined} H atom (CHA). For a given quantum state, accurate results are presented by employing respective \emph{exact} analytical wave functions in $r$ space. The $p$-space wave functions are generated from respective Fourier transforms$-$for FHA these can be expressed analytically in terms of Gegenbauer polynomials, whereas in CHA these are computed numerically. \emph{Exact} mathematical expressions of…
Formulations of magnetic monopoles in a Hilbert-space formulation of quantum mechanics require Dirac's quantization condition of magnetic charge, which implies a large value that can easily be ruled out for elementary particles by standard atomic spectroscopy. However, an algebraic formulation of non-associative quantum mechanics is mathematically consistent with fractional magnetic charges of small values. Here, spectral properties in non-associative quantum mechanics are derived, applied to the ground state of hydrogen with a magnetically charged nucleus. The resulting energy leads to new st…
In this paper the Diffusion Monte Carlo (DMC) method is applied to the confined hydrogen atom with different confinement geometries. This approach is validated using the much studied spherical and cylindrical confinements and then applied to cubical and squared ones, for which data are not available, as new applications of the method relevant to solid state physics. The energy eigenvalues of the ground state and one low-lying excited state are reported as a function of the characteristic confinement length.
The hyperfine interaction as a probe of the microscopic structure of the atomic nucleus
Center for Quantum Nanoscience, Institute for Basic Science（量子纳米科学中心，基础科学研究院）；Université de Strasbourg, CNRS, Institut de Physique et Chimie des Matériaux de Strasbourg（斯特拉斯堡大学，法国国家科学研究中心，斯特拉斯堡材料物理与化学研究所）；Ewha Womans University（梨花女子大学）；Université de Strasbourg, CNRS, Institut de Chimie（斯特拉斯堡大学，法国国家科学研究中心，化学研究所）；Université de Strasbourg, CNRS, Institut pluridisciplinaire Hubert Curien（斯特拉斯堡大学，法国国家科学研究中心，于贝尔·居里跨学科研究所）
The Lagrange-mesh method has the simplicity of a calculation on a mesh and can have the accuracy of a variational method. It is applied to the study of a confined helium atom. Two types of confinement are considered. Soft confinements by potentials are studied in perimetric coordinates. Hard confinement in impenetrable spherical cavities is studied in a system of rescaled perimetric coordinates varying in [0,1] intervals. Energies and mean values of the distances between electrons and between an electron and the helium nucleus are calculated. A high accuracy of 11 to 15 significant figures is …
It is shown that the electrostatic potential of atomic nucleus "seen" by a fast charged projectile at short distances is smeared quantum mechanically due to nucleus motion around the atomic center of inertia. For example, the "positive charge cloud" size in the Hydrogen ground state is much larger than the proper proton size. It is even bigger for the target atoms in excited initial states. The elastic scattering at large angles is generally weaker than the Rutherford one since the effective potential at short distances is softer than the Colombian one due to a natural "cutoff". In addition, t…
The Hamiltonian of an atom with $N$ electrons and a fixed nucleus of infinite mass between two parallel planes is considered in the limit when the distance $a$ between the planes tends to zero. We show that this Hamiltonian converges in the norm resolvent sense to a Schrödinger operator acting effectively in $L^{2}(\mathbb{R}^{2N})$ whose potential part depends on $a$. Moreover, we prove that after an appropriate regularization this Schrödinger operator tends, again in the norm resolvent sense, to the Hamiltonian of a two-dimensional atom (with the three-dimensional Coulomb potential-one over …
