Analog of Rabi oscillations in resonant electron-ion systems

Quantum coherence between electron and ion dynamics, observed in organic semiconductors by means of ultrafast spectroscopy, is the object of recent theoretical and computational studies. To simulate this kind of quantum coherent dynamics, we have introduced in a previous article [L. Stella, M. Meister, A. J. Fisher, and A. P. Horsfield, J. Chem. Phys. 127, 214104 (2007)] an improved computational scheme based on Correlated Electron-Ion Dynamics (CEID). In this article, we provide a generalization of that scheme to model several ionic degrees of freedom and many-body electronic states. To illustrate the capability of this extended CEID, we study a model system which displays the electron-ion analog of the Rabi oscillations. Finally, we discuss convergence and scaling properties of the extended CEID along with its applicability to more realistic problems. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3589165]

Global quantum correlations in finite-size spin chains

We perform an extensive study of the properties of global quantum correlations in finite-size one-dimensional quantum spin models at finite temperature. By adopting a recently proposed measure for global quantum correlations (Rulli and Sarandy 2011 Phys. Rev. A 84 042109), called global discord, we show that critical points can be neatly detected even for many-body systems that are not in their ground state. We consider the transverse Ising model, the cluster-Ising model where three-body couplings compete with an Ising-like interaction, and the nearest-neighbor XX Hamiltonian in transverse magnetic field. These models embody our canonical examples showing the sensitivity of global quantum discord close to criticality. For the Ising model, we find a universal scaling of global discord with the critical exponents pertaining to the Ising universality class.

Scaling of the entanglement spectrum near quantum phase transitions

The entanglement spectrum describing quantum correlations in many-body systems has been recently recognized as a key tool to characterize different quantum phases, including topological ones. Here we derive its analytically scaling properties in the vicinity of some integrable quantum phase transitions and extend our studies also to nonintegrable quantum phase transitions in one-dimensional spin models numerically. Our analysis shows that, in all studied cases, the scaling of the difference between the two largest nondegenerate Schmidt eigenvalues yields with good accuracy critical points and mass scaling exponents.

Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors

We present an ab initio real-time-based computational approach to study nonlinear optical properties in condensed matter systems that is especially suitable for crystalline solids and periodic nanostructures. The equations of motion and the coupling of the electrons with the external electric field are derived from the Berry-phase formulation of the dynamical polarization [Souza et al., Phys. Rev. B 69, 085106 (2004)]. Many-body effects are introduced by adding single-particle operators to the independent-particle Hamiltonian. We add a Hartree operator to account for crystal local effects and a scissor operator to correct the independent particle band structure for quasiparticle effects. We also discuss the possibility of accurately treating excitonic effects by adding a screened Hartree-Fock self-energy operator. The approach is validated by calculating the second-harmonic generation of SiC and AlAs bulk semiconductors: an excellent agreement is obtained with existing ab initio calculations from response theory in frequency domain [Luppi et al., Phys. Rev. B 82, 235201 (2010)]. We finally show applications to the second-harmonic generation of CdTe and the third-harmonic generation of Si. 

Second harmonic generation in h-BN and MoS2 monolayers: Role of electron-hole interaction

We study second-harmonic generation in h-BN and MoS$_2$ monolayers using a novel \emph{ab initio} approach based on Many-body theory. We show that electron-hole interaction doubles the signal intensity at the excitonic resonances with respect to the contribution from independent electronic transitions. This implies that electron-hole interaction is essential to describe second-harmonic generation in those materials. We argue that this finding is general for nonlinear optical properties in nanostructures and that the present methodology is the key to disclose these effects.

Distillable entanglement and area laws in spin and harmonic-oscillator systems

We address the presence of nondistillable (bound) entanglement in natural many-body systems. In particular, we consider standard harmonic and spin-1/2 chains, at thermal equilibrium and characterized by few interaction parameters. The existence of bound entanglement is addressed by calculating explicitly the negativity of entanglement for different partitions. This allows us to individuate a range of temperatures for which no entanglement can be distilled by means of local operations, despite the system being globally entangled. We discuss how the appearance of bound entanglement can be linked to entanglement-area laws, typical of these systems. Various types of interactions are explored, showing that the presence of bound entanglement is an intrinsic feature of these systems. In the harmonic case, we analytically prove that thermal bound entanglement persists for systems composed by an arbitrary number of particles. Our results strongly suggest the existence of bound entangled states in the macroscopic limit also for spin-1/2 systems.

Thermal bound entanglement in macroscopic systems and area law

Does bound entanglement naturally appear in quantum many-body systems? We address this question by showing the existence of bound-entangled thermal states for harmonic oscillator systems consisting of an arbitrary number of particles. By explicit calculations of the negativity for different partitions, we find a range of temperatures for which no entanglement can be distilled by means of local operations, despite the system being globally entangled. We offer an interpretation of this result in terms of entanglement-area laws, typical of these systems. Finally, we discuss generalizations of this result to other systems, including spin chains.

Area laws and entanglement distillability of thermal states

We study the entanglement distillability properties of thermal states of many-body systems Following the ideas presented in [6, A Ferraro et al., Phys. Rev Lett 100, 080502 (2008)], we first discuss the appearance of bound entanglement in those systems satisfying an entanglement area law Then, we extend these results to other topologies, not necessarily satisfying an entanglement area law We also study whether bound entanglement survives in the macroscopic limit of an infinite number of particles.

Monogamy and ground-state entanglement in highly connected systems

We consider the ground-state entanglement in highly connected many-body systems consisting of harmonic oscillators and spin-1/2 systems. Varying their degree of connectivity, we investigate the interplay between the enhancement of entanglement, due to connections, and its frustration, due to monogamy constraints. Remarkably, we see that in many situations the degree of entanglement in a highly connected system is essentially of the same order as in a low connected one. We also identify instances in which the entanglement decreases as the degree of connectivity increases.

Reconstructing the quantum state of oscillator networks with a single qubit

We introduce a scheme to reconstruct arbitrary states of networks composed of quantum oscillators-e. g., the motionalstate of trapped ions or the radiation state of coupled cavities. The scheme involves minimal resources and minimal access, in the sense that it (i) requires only the interaction between a one-qubit probe and a single node of the network; (ii) provides the Weyl characteristic function of the network directly from the data, avoiding any tomographic transformation; (iii) involves the tuning of only one coupling parameter. In addition, we show that a number of quantum properties can be extracted without full reconstruction of the state. The scheme can be used for probing quantum simulations of anharmonic many-body systems and quantum computations with continuous variables. Experimental implementation with trapped ions is also discussed and shown to be within reach of current technology.

Reconfigurable Long-Range Phonon Dynamics in Optomechanical Arrays

We investigate periodic optomechanical arrays as reconfigurable platforms for engineering the coupling between multiple mechanical and electromagnetic modes and for exploring many-body phonon dynamics. Exploiting structural resonances in the coupling between light fields and collective motional modes of the array, we show that tunable effective long-range interactions between mechanical modes can be achieved. This paves the way towards the implementation of controlled phononic walks and heat transfer on densely connected graphs as well as the coherent transfer of excitations between distant elements of optomechanical arrays.

Long-range multipartite entanglement close to a first-order quantum phase transition

We provide insight into the quantum correlations structure present in strongly correlated systems beyond the standard framework of bipartite entanglement. To this aim we first exploit rotationally invariant states as a test bed to detect genuine tripartite entanglement beyond the nearest neighbor in spin-1/2 models. Then we construct in a closed analytical form a family of entanglement witnesses which provides a sufficient condition to determine if a state of a many-body system formed by an arbitrary number of spin-1/2 particles possesses genuine tripartite entanglement, independently of the details of the model. We illustrate our method by analyzing in detail the anisotropic XXZ spin chain close to its phase transitions, where we demonstrate the presence of long-range multipartite entanglement near the critical point and the breaking of the symmetries associated with the quantum phase transition.

Positron scattering and annihilation on noble-gas atoms

Positron scattering and annihilation on noble-gas atoms is studied ab initio using many-body theory methods for positron energies below the positronium formation threshold. We show that in this energy range, the many-body theory yields accurate numerical results and provides a near-complete understanding of the positron–noble-gas atom system. It accounts for positron-atom and electron-positron correlations, including the polarization of the atom by the positron and the nonperturbative effect of virtual positronium formation. These correlations have a large influence on the scattering dynamics and result in a strong enhancement of the annihilation rates compared to the independent-particle mean-field description. Computed elastic scattering cross sections are found to be in good agreement with recent experimental results and Kohn variational and convergent close-coupling calculations. The calculated values of the annihilation rate parameter Zeff (effective number of electrons participating in annihilation) rise steeply along the sequence of noble-gas atoms due to the increasing strength of the correlation effects, and agree well with experimental data.

Shortcut to Adiabaticity in the Lipkin-Meshkov-Glick Model

We study transitionless quantum driving in an infinite-range many-body system described by the Lipkin-Meshkov-Glick model. Despite the correlation length being always infinite the closing of the gap at the critical point makes the driving Hamiltonian of increasing complexity also in this case. To this aim we develop a hybrid strategy combining a shortcut to adiabaticity and optimal control that allows us to achieve remarkably good performance in suppressing the defect production across the phase transition.

Gamma-ray Spectra and Enhancement Factors for Positron Annihilation with Core Electrons

Many-body theory is developed to calculate the γ spectra for positron annihilation in noble-gas atoms. Inclusion of electron-positron correlation effects and core annihilation gives spectra in excellent agreement with experiment [K. Iwata et al., Phys. Rev. Lett. 79, 39 (1997)]. The calculated correlation enhancement factors γnl for individual electron orbitals nl are found to scale with the ionization energy I_nl (in eV), as γnl=1+ √A/Inl+(B/I_nl)β, where A≈40  eV, B≈24  eV, and β≈2.3.