相关论文: The confined helium atom; an Informational approac…
The present work studies aspects of the electronic correlation in confined H$^{-}$, He and Li$^+$ atoms in their ground states using the informational entropies. In this way, different variational wavefunctions are employed in order of…
We explore ground-state entanglement properties of helium atom confined at the center of an impenetrable spherical cavity of varying radius by using explicitly correlated Hylleraas-type basis set. Results for the dependencies of the von…
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…
Shannon entropy ($S$), R{\'e}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…
The Shannon entropy in the atomic, molecular and chemical physics context is presented by using as test cases the hydrogenic-like atoms $H_c$, ${He_c}^+$ and ${Li_c}^{2+}$ confined by an impenetrable spherical box. Novel expressions for…
Entropic measures provide analytic tools to help us understand correlation in quantum systems. In our previous work, we calculated linear entropy and von Neumann entropy as entanglement measures for the ground state and lower lying excited…
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…
Shannon entropy in position ($S_{\rvec}$) and momentum ($S_{\pvec}$) spaces, along with their sum ($S_t$) are presented for unit-normalized densities of He, Li$^+$ and Be$^{2+}$ ions, spatially confined at the center of an impenetrable…
We represent the two K-shell electrons of neutral atoms by Hylleraas-type wave function which fulfils the exact behavior at the electron-electron and electron-nucleus coalescence points and, derive a simple method to construct expressions…
The electronic density \rho(r) in atoms, molecules and solids is, in general, a distribution that can be observed experimentally, containing spatial information projected from the total wave function. These density distributions can be…
Shannon information entropies in position and momentum spaces and their sum are calculated as functions of Z (Z=2-54) in atoms. Roothaan-Hartree-Fock electron wave functions are used. The universal property S=a+b lnZ is verified. In…
In this chapter we shall discuss the recent progresses of information theoretic tools in the context of free and confined harmonic oscillator. Confined quantum systems have provided appreciable interest in areas of physics, chemistry,…
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…
A quasi-unidimensional one-electron double quantum dot is studied within the framework of Shannon informational entropy. Its confinement potential, which is described by an asymmetric harmonic-gaussian function, consists of two wells…
We make use of a Hylleraas-type wave function to derive an exact analytical model to quantify correlation in two-electron atomic/ionic systems and subsequently employ it to examine the role of inter-electronic repulsion in affecting (i) the…
Information-based uncertainty measures like Shannon entropy, Onicescu energy and Fisher information (in position and momentum space) are employed to understand the effect of \emph{symmetric and asymmetric} confinement in a quantum harmonic…
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…
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…
Confinement of atoms inside various cavities has been studied for nearly eight decades. However, the Compton profile for such systems has not yet been investigated. Here we construct the Compton profile (CP) for a H atom radially confined…
The quantum entanglement for the two electrons in the excited states of the helium-like atom/ions is investigated using the two-electron wave functions constructed by the B-spline basis. As a measure of the spatial (electron-electron…