We study an isolated hydrogen atom in its ground state contained within a spherical shell. We show that by using a mathematical package and a simple shooting process, we can find accurate values of various properties of the hydrogen atom, including the energy eigenvalues and the pressure dependence of the radius of the atom. We also introduce a parameter that allows us to make the shell penetrable. The procedure is simple enough to form the basis for a classroom or homework problem.
We study an isolated hydrogen atom in its ground state contained within a spherical shell. We show that by using a mathematical package and a simple shooting process, we can find accurate values of various properties of the hydrogen atom, including the energy eigenvalues and the pressure dependence of the radius of the atom. We also introduce a parameter that allows us to make the shell penetrable. The procedure is simple enough to form the basis for a classroom or homework problem.
The exact solution to the problem of a hydrogen atom confined in a spherical well (CHA) is discussed; the standard results for the unconfined hydrogen atom (UHA) are recovered as the sphere size becomes large compared to the Bohr radius. The solutions are characterized by a set of three quantum numbers N (= 1, 2, 3,…), L (= 0, 1, 2,…), and M (= − L, − L + 1,…, L − 1, L), and the energy eigenvalues, in contrast to the situation in the UHA, depend on both N and L. All members of a given family n = N + L, however, evolve asymptotically toward the same energy level in the large-sphere limit, recovering the typical n2 degeneracy of the UHA. Besides numerically exact solutions for arbitrary sphere sizes, rigorous analytical approximations are provided for the physically relevant strong- and weak-confinement regimes. A conjecture concerning the ordering of the energy levels is rigorously confirmed. The validity of the virial theorem, Kato's cusp condition, and the role played by the density as an alternative basic variable for the case of the CHA are discussed.
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, originating entirely from the strong coupling of the relative and center-of-mass motions of the two particles, are identified as avoided crossings for certain values of the shell radius. By working close to the found resonances, these results offer a new way to control the atom-atom interaction in an atomic gas by tuning only the geometrical parameters of the shell.
Since the pioneering works of Michels et. al., followed by Sommerfeld and Welker, over eighty years ago, there is much interest in modelling confinement of the ground state hydrogen atom by an impenetrable sphere of confining radius, Rc. The literature “truncated probability density” model assumes that, upon confinement, the nodeless free hydrogen atom ground state probability density is replaced by the innermost node of an excited state probability density, fitted to Rc by a non-quantum parameter, λ. Since the literature model is an excited state, the confined electron energy, E1c, is inversely proportional to the excited state Bohr radius, Rλ (or aoλ2), which becomes larger than Rc as λ increases. However, due to the infinite potential barrier at radii greater than Rc, such large values of Rλ are not allowed. In contrast, for the Particle in an Infinite Box (PIB), Harmonic Oscillator (HO) and the proposed compressed probability density ground state models, the particle energy is inversely proportional to the confined length (Lc or Rc), the maximum length allowed. Additionally, the Dirac/Sommerfeld fine structure formula calculation of E1c is in agreement with the proposed model, but does not support the literature truncated probability density model, indicating the literature model is incorrect.
Abstract The information‐theoretic measure of confined hydrogen atom has been investigated extensively in the literature. However, most of them were focused on the ground state and accurate values of information entropies, such as Shannon entropy, for confined hydrogen are still not determined. In this work, we establish the benchmark results of the Shannon entropy for confined hydrogen atom in a spherical impenetrable sphere, in both position and momentum spaces. This is done by examining the bound state energies, the normalization of wave functions, and the scaling property with respect to isoelectronic hydrogenic ions. The angular and radial parts of Shannon entropy in two conjugate spaces are provided in detail for both free and confined hydrogen atom in ground and several excited states. The entropies in position space decrease logarithmically with decreasing the size of confinement, while those in momentum space increase logarithmically. The Shannon entropy sum, however, approaches to finite values when the confinement radius closes to zero. It is also found that the Shannon entropy sum shares same trend for states with similar density distributions. Variations of entropy for nodeless bound states are significantly distinct form those owning nodes when changing the confinement radius.
The Dirac equation is used to provide a relativistic calculation of the binding energy of a hydrogen-like atom confined within a penetrable spherical barrier. We take the potential to be Coulombic within the barrier and constant outside the barrier. Binding energies are derived for the ground state of hydrogen for various barrier heights and confining radii. In addition, it is shown that without the introduction of the principle quantum number n, all energy states of the confined relativistic hydrogen atom, determined by a single quantum number k, transfer into the known energy states of the free relativistic hydrogen atom as the radius of confinement becomes large.