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 better take account of Coulomb correlation. The obtained values for the $S_r$, $S_p$ and $S_t$ entropies are sensitive in relation to Coulomb correlation effects. In the strong confinement regime, the effects of the Coulomb correlation are negligible and the employment of the models of independent particle and two non-interacting electrons confined by a impenetrable spherical cage gains importance in this regime. Lastly, energy values are obtained in good agreement with the results available in the literature.
We examine the entanglement in the ground states of helium and helium-like ions using an original Hylleraas expansion. The von Neumann and linear entropies of the reduced density matrix are accurately computed by performing the Schmidt decomposition of the S singlet spatial wavefunctions. The results presented are more accurate than currently available in published literature.
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 orbital) entanglement, the von Neumann entropy and linear entropy of the reduced density matrix are calculated for the 1s2s 1,3S excited states for systems with some selected Z values from Z=2 to Z=100. Results for the helium atom are compared with other available calculations. We have also investigated the entropies for these excited states when the nucleus charg…
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 determined by calculation of density of resonance states under the framework of the stabilization method. The spatial (electron-electron orbital) entanglement measures for the low-lying doubly excited 2s2, 2s3s, and 2p2 1Se states are carried out. Once a resonance state wave function is obtained, the linear entropy and von Neumann entropy for such a state are…
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 …
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 the correlated two-particle wave function. With just two variational parameters we get quite accurate results for both ground and excited state energies.
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 orbital expanded in terms of Slater-type orbitals. Using the ground-state densities we then calculate static linear polarizability and nonlinear hyperpolarizability and study their variation with the radius of confinement. We find that polarizability decreases monotonically with decreasing confinement radius and the hyperpolarizability not only decreases bu…
The electronic density ρ(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 though as probability distributions subject to the scrutiny of the analytical methods of information theory, namely, entropy measures, quantifiers for the complexity, or entanglement measures. Although the classification of resonant doubly excited states of He-like atoms in terms of labels of approximate quantum numbers have not been exempt from controversies, a we…
Collisions between tightly confined atoms can lead to ionization and hence to loss of atoms from the trap. We develop second-order perturbation theory for a tensorial perturbation of a spherically symmetric system and the theory is then applied to processes mediated by the spin-dipole interaction. Redistribution and loss mechanisms are studied for the case of spin-polarized metastable helium atoms and results obtained for the five lowest s states in the trap and trapping frequencies ranging from 1 kHz to 10 MHz.
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 uncertainty relation and Shannon entropies $S_r$ and $S_p$ are proposed to ensure their physical dimensionless characteristic. The electronic ground state energy and the quantities $S_r$, $S_p$ and $S_t$ are calculated for the hydrogenic-like atoms to different confinement radii by using a variational method. The global behavior of these quantities and…
We present the first measurement for helium atoms of the tune-out wavelength at which the atomic polarizability vanishes. We utilise a novel, highly sensitive technique for precisely measuring the effect of variations in the trapping potential of confined metastable ($2^{3}S_{1}$) helium atoms illuminated by a perturbing laser light field. The measured tune-out wavelength of 413.0938($9_{Stat.}$)($20_{Syst.}$) nm compares well with the value predicted by a theoretical calculation (413.02(9) nm) which is sensitive to finite nuclear mass, relativistic, and quantum electro-dynamic (QED) effects. …
We have experimentally studied the magnetic-field dependence of the decay of a Bose-Einstein condensate of metastable 4He atoms confined in an optical dipole trap, for atoms in the m=+1 and m=-1 magnetic substates, and up to 450 G. Our measurements confirm long-standing calculations of the two-body loss rate coefficient that show an increase above 50 G. We demonstrate that for m=-1 atoms, decay is due to three-body recombination only, with a three-body loss rate coefficient of 6.5(0.4)(0.6)10^(-27)cm^6s^(-1), which is interesting in the context of universal few-body theory. We have also search…
Improvements in both theory and frequency metrology of few-electron systems such as hydrogen and helium have enabled increasingly sensitive tests of quantum electrodynamics (QED), as well as ever more accurate determinations of fundamental constants and the size of the nucleus. At the same time advances in cooling and trapping of neutral atoms have revolutionized the development of increasingly accurate atomic clocks. Here, we combine these fields to reach the highest precision on an optical tranistion in the helium atom to date by employing a Bose-Einstein condensate confined in a magic wavel…
Spin-dipole mediated interactions between tightly confined metastable helium atoms couple the spin-polarized quintet ${}^{5}Σ^{+}_{g}$ state to the singlet ${}^{1}Σ^{+}_{g}$ state from which autoionization is highly probable, resulting in finite lifetimes for the trap eigenstates. We extend our earlier study on spherically symmetric harmonic traps to the interesting cases of axially symmetric anisotropic harmonic traps and report results for the lowest 10 states in "cigar-like" and "pancake-like" traps with average frequencies of 100 kHz and 1 MHz. We find that there is a significant suppressi…
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 1sns (1Se) [n = 1-6] states and the resonance parameters i.e. positions and widths of 1Se states due to 2sns [n = 2-5] and 2pnp [n = 2-5] configuration of confined helium below N = 2 ionization threshold of He+ have been estimated. The two-parameter (Depth and Width) finite oscillator potential is used to represent the confining potential representing the qu…
The General Spectral Modeling (GSM) code employs the quasi-static approximation, a standard, low-density methodology that assumes the ionization balance is separable from a determination of the excited-state populations that give rise to the spectra. GSM also allows for some states to be treated only as contributions to effective rates. While these two approximations are known to be valid at low densities, this work investigates using such methods to model high-density, non-LTE emission spectra and determines at what point the approximations break down by comparing to spectra produced by the L…
Cavity-modified static polarizabilities of atoms and small molecules within QED full configuration interaction
St. Petersburg State University（圣彼得堡国立大学）；Petersburg Nuclear Physics Institute named by B. P. Konstantinov of National Research Centre “Kurchatov Institute”（国家研究中心“库尔恰托夫研究所”下属的以B.P.康斯坦丁诺夫命名的圣彼得堡核物理研究所）
The effect produced by surface defects on grazing-incidence fast atom diffraction (GIFAD) patterns is studied by considering the presence of terraces in a LiF(001) sample. For helium atoms impinging along the <110> direction of the LiF surface, we analyze the influence of a monolayer terrace with its edge oriented parallel or perpendicular to the axial channel. We found that the presence of an outward transverse step introduces a diffuse background above the Laue circle, which displays additional peaked structures. For inward transverse steps, instead, such a background is placed below the Lau…
