相关论文: Singly excited S-states of compressed two-electron…
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…
Bound and resonance states of helium atom have been investigated inside a quantum dot by using explicitly correlated Hylleraas type basis set within the framework of stabilization method. To be specific, precise energy eigenvalues of bound…
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…
Ground and excited states of a confined negative Hydrogen ion has been pursued under Kohn-Sham density functional approach by invoking a physically motivated work-function-based exchange potential. The exchange-only results are of near…
The total energies and various bound state properties of the excited $2^1S(L = 0)-$states in two-electron helium atoms, including the ${}^{\infty}$He, ${}^4$He and ${}^3$He atoms, are determined to very high numerical accuracy. The…
In this work, we study the quantum entanglement for doubly excited resonance states in helium by using highly correlated Hylleraas type functions to represent such states of the two-electron system. The doubly-excited resonance states are…
Energy levels of the $1sns$ and $1snp$ states of ions along the helium isoelectronic sequence from carbon to uranium are calculated, with $n=3$-$7$. The computation is performed within the relativistic configuration-interaction method,…
The \textit{ab initio} approach is used to evaluate the excitation energies of the $2s2p \, ^{2S+1}P_J$ states from the ground state as well as the $2s2p \, ^3P_1 \rightarrow 2s2p \, ^3P_0$ and $2s2p \, ^3P_2 \rightarrow 2s2p \, ^3P_1$…
We consider a model of three electrons and one hole confined in a two-dimensional (2D) plane, interacting with one another through Coulomb forces. Using a Ritz variational method we find an upper bound of \approx -0.0112me^4/8\pi^2 \epsilon…
We present an exact calculation of the single-electron energies and wave-functions for any bound state in a realistic Si-SiO2 spherical quantum dot, including the material dependence of the electron effective mass. The influence of dot…
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 study the energy structure and dynamics of a two-level emitter (2LE) locally coupled to a semi-infinite one-dimensional (1D) coupled-resonator array (CRA). The energy spectrum in the single-excitation subspace features a continuous band…
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-electron properties of several anions at bond lengths close to where these states become unbound. In the potential energy curves of the totally symmetric anions of HCl…
The generalized pseudospectral Legendre method is used to carry out accurate calculations of eigenvalues of the spherically confined isotropic harmonic oscillator with impenetrable boundaries. The energy of the confined state is found to be…
Atoms under pressure undergo a series of processes and modification of its electronic structure. Examples are the spontaneous ionization, stabilization of excited-state configurations that result in a level-crossing with the ground state of…
Processes mediated by two virtual low-energy photons contribute quite significantly to the energy of hydrogenic S states. The corresponding level shift is of the order of (alpha/pi)^2 (Zalpha)^6 m_e c^2 and may be ascribed to a two-loop…
The electronic structure of singly ionized tin (SnII) is partly a one-electron and partly a three-electron system with ground configuration 5s25p. The excited configurations are of the type 5s2nl in the one-electron part, and 5s5p2, 5p3 and…
We present a theoretical study of the spectrum of electrons confined in triple concentric rings. An unusual ordering and rich variety of angular momentum transitions are found that depend on the coupling between the rings and the…
The molecular ion H$_2^+$ is studied under strong confinement conditions produced by a spherical barrier centered in the gravity center of the molecule. Results for the potential curves are obtained by diffusion Monte Carlo methods for the…
The entanglement properties of two-electron atomic systems have been the subject of considerable research activity in recent years. These studies are still somewhat fragmentary, focusing on numerical computations on particular states of…