Geometric Rényi divergence: A comparative measure with applications to atomic densities

An alternative one-parameter measure of divergence is proposed, quantifying the discrepancy among general probability densities. Its main mathematical properties include (i) comparison among an arbitrary number of functions, (ii) the possibility of assigning different weights to each function according to its relevance on the comparative procedure, and (iii) ability to modify the relative contribution of different regions within the domain. Applications to the study of atomic density functions, in both conjugated spaces, show the versatility and universality of this divergence

Three strongly correlated charged bosons in a one-dimensional harmonic trap: natural orbital occupancies

We study a one-dimensional system composed of three charged bosons confined in an external harmonic potential. More precisely, we investigate the ground-state correlation properties of the system, paying particular attention to the strong-interaction limit. We explain for the first time the nature of the degeneracies appearing in this limit in the spectrum of the reduced density matrix. An explicit representation of the asymptotic natural orbitals and their occupancies is given in terms of some integral equations.Comment: 6 pages, 4 figures, To appear in European Physical Journal

Testing one-body density functionals on a solvable model

There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the equivalent phase-space formalism, we thoroughly test some of the most popular of those functionals on a completely solvable model.Comment: Latex, 16 pages, 4 figure

Quantum entanglement in exactly soluble atomic models: the Moshinsky model with three electrons, and with two electrons in a uniform magnetic field

We investigate the entanglement-related features of the eigenstates of two exactly soluble atomic models: a one-dimensional three-electron Moshinsky model, and a three-dimensional two-electron Moshinsky system in an external uniform magnetic field. We analytically compute the amount of entanglement exhibited by the wavefunctions corresponding to the ground, first and second excited states of the three-electron model. We found that the amount of entanglement of the system tends to increase with energy, and in the case of excited states we found a finite amount of entanglement in the limit of vanishing interaction. We also analyze the entanglement properties of the ground and first few excited states of the two-electron Moshinsky model in the presence of a magnetic field. The dependence of the eigenstates’ entanglement on the energy, as well as its behaviour in the regime of vanishing interaction, are similar to those observed in the three-electron system. On the other hand, the entanglement exhibits a monotonically decreasing behavior with the strength of the external magnetic field. For strong magnetic fields the entanglement approaches a finite asymptotic value that depends on the interaction strength. For both systems studied here we consider a perturbative approach in order to shed some light on the entanglement’s dependence on energy and also to clarify the finite entanglement exhibited by excited states in the limit of weak interactions. As far as we know, this is the first work that provides analytical and exact results for the entanglement properties of a three-electron model