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Acta Physica Sinica

Internal disorder of hydrogenic-like atom trapped in dielectric spherical microcavity

Xue Liu, Dehua Wang

Published Jan 1, 2023• 0 citations
Publisher

Abstract

The research on the disorder of quantum system plays a very important role in the field of quantum information, and has received much attention from theoretical and experimental researchers. However, it is very difficult to study the disorder of atoms trapped in microcavity due to their complex nonlocal space-time evolution characteristics. To solve this problem, we present a method to study the internal disorder of hydrogenic atoms trapped in microcavity, that is, to characterize and investigate the disorder of the confined system by using the quantum information entropy and shape complexity of the system. The Shannon information entropy and shape complexity in position space and momentum space (Sr, Sp, C[r], C[p]) are calculated and analyzed for different quantum states of hydrogenic atom in InN dielectric spherical microcavity, and pay special attention to the exploration of the influence of quantum confinement effect on the disorder of the system. The results show that when the radius of the spherical microcavity is very small, the quantum confinement effect is more significant, and a series of extreme points appears in the shape complexity curve of the system, which is caused by the joint interaction of information entropy and spatial inhomogeneity. With the increase of the radius of the spherical cavity, the effect of quantum confinement is weakened, and the Shannon information entropy and shape complexity of the confined hydrogenic atom are similar to the counterparts of the hydrogenic atom in free space. Our work provides an effective method to study the internal disorder of a confined quantum. This work provides an effective method for studying the internal disorder of confined quantum systems and presents some references for the information measurement of confined quantum systems.

DOI
10.7498/aps.72.20222413

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The research on the disorder of quantum system plays a very important role in the field of quantum information, and has received much attention from theoretical and experimental researchers. However, it is very difficult to study the disorder of atoms trapped in microcavity due to their complex nonlocal space-time evolution characteristics. To solve this problem, we present a method to study the internal disorder of hydrogenic atoms trapped in microcavity, that is, to characterize and investigate the disorder of the confined system by using the quantum information entropy and shape complexity of the system. The Shannon information entropy and shape complexity in position space and momentum space (Sr, Sp, C[r], C[p]) are calculated and analyzed for different quantum states of hydrogenic atom in InN dielectric spherical microcavity, and pay special attention to the exploration of the influence of quantum confinement effect on the disorder of the system. The results show that when the radius of the spherical microcavity is very small, the quantum confinement effect is more significant, and a series of extreme points appears in the shape complexity curve of the system, which is caused by the joint interaction of information entropy and spatial inhomogeneity. With the increase of the radius of the spherical cavity, the effect of quantum confinement is weakened, and the Shannon information entropy and shape complexity of the confined hydrogenic atom are similar to the counterparts of the hydrogenic atom in free space. Our work provides an effective method to study the internal disorder of a confined quantum. This work provides an effective method for studying the internal disorder of confined quantum systems and presents some references for the information measurement of confined quantum systems.
We calculate the energy and Shannon entropy for a hydrogen atom confined in a dielectric spherical microcavity for the fist time. In contrast to the hydrogen atom in the vacuum microcavity, some unexpected and interesting phenomena appear: First, the turning radius for the bound energy changes from positive to negative depends on the dielectric constant of the spherical microcavity sensitively. With the increase of the relative dielectric constant, the turning radius gets larger. Second, the dielectric spherical microcavity impacts the rearrangement of the excited state energy, and breaks the energy degeneracy of the excited states. At some given radius, there is energy crossover between different orbital. Third, the dielectric in the spherical microcavity affects the Shannon entropy for the confined hydrogen atom greatly. The Shannon entropy in the vacuum microcavity is the smallest and the Shannon entropy increases with the relative dielectric constant. For smaller size spherical microcavity, the Shannon entropy change is always negative, which suggests that the electron density is localized. With the increase of the radius of the microcavity, the Shannon entropy change becomes positive, and the confinement of the electron density gets delocalized. Our results show that we can control the confining effect of the spherical microcavity on the atom by changing the dielectric. This work can guide the future experimental studies for trapping and manipulating of atoms and molecules in the external environment and has some practical applications in metrology and quantum information processing.
Abstract This study investigates the impact of spatial confinement and the Hellmann potential on the Shannon entropy of a hydrogenic atom. A hydrogenic atom screened by the Hellmann potential and confined within an impenetrable spherical potential is analyzed. The Schrödinger equation is solved numerically using the finite difference method to determine energy eigenvalues and wavefunctions. These wavefunctions are examined in both position and momentum spaces to calculate the Shannon entropy in position space , the Shannon entropy in momentum space , and the total Shannon entropy . How the confinement radius and the screening parameter affect these entropies is investigated, and the results are compared to those of unconstrained systems. The findings are contrasted with previously reported results and discussed in relation to the Beckner–Bialynicki–Birula–Mycielski (BBM) inequality, offering insights into the behavior of quantum states under confinement. Significant variations in Shannon entropy and energy levels are observed with changes in confinement and screening parameters, providing a deeper understanding of quantum mechanics in confined systems. The study reveals a critical screening parameter at which the behavior of entropy transitions, shedding light on the interplay between spatial confinement, screening effects, and quantum uncertainties.
Abstract The appearance of critical points in the Shannon entropy sum as a function of confinement radius, in ground and excited state confined hydrogenic systems, is discussed. We illustrate that the Coulomb potential in tandem with the hard sphere confinement are responsible for these points. The positions of these points are observed to vary with the intensity of the potential. The effects of the Coulomb potential on the system are further probed, by examining the differences between the densities of the confined atom and those of the particle confined in a spherical box, for the same confinement radius. These differences are quantified by using Kullback‐Leibler and cumulative residual Kullback‐Leibler distance measures from information theory. These measures detect that the effects of the Coulomb potential are squeezed out of the system as the confinement radius decreases. That is, the confined atom densities resemble the particle in a box ones, for smaller confinement radii. Furthermore, the critical points in the entropy sum lie in the same regions where there are changes in the distance measures, as the atom behaves more particle in a spherical box‐like. The analysis is further complemented by examination of the derivative of the entropy sum with respect to confinement radius. This study illustrates the inhomogeneity in the magnitudes of the derivatives of the entropy sum components and their dependence on the Coulomb potential. A link between the derivative and the entropic force is also illustrated and discussed. Similar behaviors are observed when the virial ratio is compared to the entropic power one, as a function of confinement radius.
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.
A straightforward way to study the electronic structure and certain physical properties of atoms and molecules under high pressures is through the confinement (caging) model, in which the atom is placed at the center of a spherical box with impenetrable walls. The hydrogen atom confined inside penetrable and impenetrable spherical cavities is perhaps the most studied compressed system, and exact solutions exist for both types of confinement. The physical properties of the hydrogen atom confined within impenetrable-wall cavities (AHCI) have been widely analyzed; however, the same system embedded in penetrable spherical cavities (AHCP) has received less attention. A more physical model suggests using a spherical box with penetrable walls. Therefore, in this work, we compute via the variational method, the Shannon and Fisher information entropy in position space,SrS_{r}Sr​andIrI_{r}Ir​, for the2p2 \mathbf{p}2pand 3d states of a hydrogen atom subjected to spatial confinement by penetrable and impenetrable spherical cavities. Additionally, we calculate the tunneling probability for the penetrable confinement and seek to relate it to the overlaps of the radial probability densities as a function of the cavity radius and the height of the confining barrier. To model the penetrable confinement, we employ a logistic potential which, unlike earlier reports that used a discontinuous step potential, is a continuous function. The wavefunction is expanded in terms of Slater functions that satisfy appropriate boundary conditions; in some cases, we find notable differences with respect to the impenetrable potential.
Various information theoretic measures, complexities and their inequalities are studied for hydrogen atom under modified Hulthen potential which is a combination of Hulthen potential and inverse square potential. In addition, spherical confinement is also considered. Few of these results are compared with the results are available in the literature. In particular the Shannon entropy for free and confined atom is detailed for many states. The effects of inverse square potential parameter (‘a’ which is either positive or negative) on Shannon entropy and Fisher information is studied in confined and free region of atom. The Bialynicki-Birula-Mycielski (BBM) inequality is verified for the confined system.