Entanglement and the Born-Oppenheimer approximation in an exactly solvable quantum many-body system

We investigate the correlations between different bipartitions of an exactly solvable one-dimensional many-body Moshinsky model consisting of Nn "nuclei" and Ne "electrons". We study the dependence of entanglement on the inter-particle interaction strength, on the number of particles, and on the particle masses. Consistent with kinematic intuition, the entanglement between two subsystems vanishes when the subsystems have very different masses, while it attains its maximal value for subsystems of comparable mass. We show how this entanglement feature can be inferred by means of the Born-Oppenheimer Ansatz, whose validity and breakdown can be understood from a quantum information point of view.Comment: Accepted in Eur. Phys. J. D (2014

Bosonic behavior of entangled fermions

Two bound, entangled fermions form a composite boson, which can be treated as an elementary boson as long as the Pauli principle does not affect the behavior of many such composite bosons. The departure of ideal bosonic behavior is quantified by the normalization ratio of multi-composite-boson states. We derive the two-fermion-states that extremize the normalization ratio for a fixed single-fermion purity P, and establish general tight bounds for this indicator. For very small purities, P<1/N^2, the upper and lower bounds converge, which allows to quantify accurately the departure from perfectly bosonic behavior, for any state of many composite bosons.Comment: 9 pages, 5 figures, accepted by PR

Multipartite concurrence for identical-fermion systems

We study the problem of detecting multipartite entanglement among indistinguishable fermionic particles. A multipartite concurrence for pure states of N identical fermions, each one having a d-dimensional single-particle Hilbert space, is introduced. Such an entanglement measure, in particular, is optimized for maximally entangled states of three identical fermions that play a role analogous to the usual (qubit) Greenberger-Horne-Zeilinger state. In addition, it is shown that the fermionic multipartite concurrence can be expressed as the mean value of an observable, provided two copies of the composite state are available.Fil: Majtey, Ana Paula. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Universidade Federal do Rio de Janeiro; BrasilFil: Bouvrie, P. A.. Centro Brasileiro de Pesquisas Físicas; Brasil. Universidad de Granada; EspañaFil: Valdés Hernández, A.. Universidad Nacional Autónoma de México; MéxicoFil: Plastino, Ángel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Noroeste de la Provincia de Buenos Aires. Centro de Bioinvestigaciones (Sede Pergamino); Argentin

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.Fil: Bouvrie, P. A.. Universidad de Granada; EspañaFil: Majtey, Ana Paula. Universidad de Granada; España. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Plastino, Ángel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata; Argentina. Universidad Nacional de La Plata; ArgentinaFil: Sánchez Moreno, P.. Universidad de Granada; EspañaFil: Dehesa, J. S.. Universidad de Granada; Españ

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

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.Facultad de Ciencias ExactasCentro Regional de Estudios Genómico

Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method

Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and improved theoretical understanding of properties unique to electron-ion wave functions. Fixed-node diffusion Monte Caro is one technique that has shown promising results for simulating electron-ion systems. In particular, we focus on the CH molecule for which previous results suggested a relatively significant contribution to the energy from nonadiabatic effects. We propose a new wave function ansatz for diatomic systems which involves interpolating the determinant coefficients calculated from configuration interaction methods. We find this to be an improvement beyond previous wave function forms that have been considered. The calculated nonadiabatic contribution to the energy in the CH molecule is reduced compared to our previous results, but still remains the largest among the molecules under consideration.Comment: 7 pages, 3 figure

Review on computational methods for Lyapunov functions

Lyapunov functions are an essential tool in the stability analysis of dynamical systems, both in theory and applications. They provide sufficient conditions for the stability of equilibria or more general invariant sets, as well as for their basin of attraction. The necessity, i.e. the existence of Lyapunov functions, has been studied in converse theorems, however, they do not provide a general method to compute them. Because of their importance in stability analysis, numerous computational construction methods have been developed within the Engineering, Informatics, and Mathematics community. They cover different types of systems such as ordinary differential equations, switched systems, non-smooth systems, discrete-time systems etc., and employ di_erent methods such as series expansion, linear programming, linear matrix inequalities, collocation methods, algebraic methods, set-theoretic methods, and many others. This review brings these different methods together. First, the different types of systems, where Lyapunov functions are used, are briefly discussed. In the main part, the computational methods are presented, ordered by the type of method used to construct a Lyapunov function