Entanglement and Frustration in Ordered Systems

This article reviews and extends recent results concerning entanglement and frustration in multipartite systems which have some symmetry with respect to the ordering of the particles. Starting point of the discussion are Bell inequalities: their relation to frustration in classical systems and their satisfaction for quantum states which have a symmetric extension. It is then discussed how more general global symmetries of multipartite systems constrain the entanglement between two neighboring particles. We prove that maximal entanglement (measured in terms of the entanglement of formation) is always attained for the ground state of a certain nearest neighbor interaction Hamiltonian having the considered symmetry with the achievable amount of entanglement being a function of the ground state energy. Systems of Gaussian states, i.e. quantum harmonic oscillators, are investigated in more detail and the results are compared to what is known about ordered qubit systems.Comment: 13 pages, for the Proceedings of QIT-EQIS'0

General Monogamy Inequality for Bipartite Qubit Entanglement

We consider multipartite states of qubits and prove that their bipartite quantum entanglement, as quantified by the concurrence, satisfies a monogamy inequality conjectured by Coffman, Kundu, and Wootters. We relate this monogamy inequality to the concept of frustration of correlations in quantum spin systems.Comment: Fixed spelling mistake. Added references. Fixed error in transformation law. Shorter and more explicit proof of capacity formula. Reference added. Rewritten introduction and conclusion

Cumulant expansion for phonon contributions to the electron spectral function

We describe an approach for calculations of phonon contributions to the electron spectral function, including both quasiparticle properties and satellites. The method is based on a cumulant expansion for the retarded one-electron Green's function and a many-pole model for the electron self-energy. The electron-phonon couplings are calculated from the Eliashberg functions, and the phonon density of states is obtained from a Lanczos representation of the phonon Green's function. Our calculations incorporate ab initio dynamical matrices and electron-phonon couplings from the density functional theory code ABINIT. Illustrative results are presented for several elemental metals and for Einstein and Debye models with a range of coupling constants. These are compared with experiment and other theoretical models. Estimates of corrections to Migdal's theorem are obtained by comparing with leading order contributions to the self-energy, and are found to be significant only for large electron-phonon couplings at low temperatures

Diverging Entanglement Length in Gapped Quantum Spin Systems

We prove the existence of gapped quantum Hamiltonians whose ground states exhibit an infinite entanglement length, as opposed to their finite correlation length. Using the concept of entanglement swapping, the localizable entanglement is calculated exactly for valence bond and finitely correlated states, and the existence of the so--called string-order parameter is discussed. We also report on evidence that the ground state of an antiferromagnetic chain can be used as a perfect quantum channel if local measurements on the individual spins can be implemented.Comment: 4 page

Multipartite entanglement in 2 x 2 x n quantum systems

We classify multipartite entangled states in the 2 x 2 x n (n >= 4) quantum system, for example the 4-qubit system distributed over 3 parties, under local filtering operations. We show that there exist nine essentially different classes of states, and they give rise to a five-graded partially ordered structure, including the celebrated Greenberger-Horne-Zeilinger (GHZ) and W classes of 3 qubits. In particular, all 2 x 2 x n-states can be deterministically prepared from one maximally entangled state, and some applications like entanglement swapping are discussed.Comment: 9 pages, 3 eps figure

Matrix Product State Representations

This work gives a detailed investigation of matrix product state (MPS) representations for pure multipartite quantum states. We determine the freedom in representations with and without translation symmetry, derive respective canonical forms and provide efficient methods for obtaining them. Results on frustration free Hamiltonians and the generation of MPS are extended, and the use of the MPS-representation for classical simulations of quantum systems is discussed.Comment: Minor changes. To appear in QI

Quantum phase transitions in matrix product systems

We investigate quantum phase transitions (QPTs) in spin chain systems characterized by local Hamiltonians with matrix product ground states. We show how to theoretically engineer such QPT points between states with predetermined properties. While some of the characteristics of these transitions are familiar, like the appearance of singularities in the thermodynamic limit, diverging correlation length, and vanishing energy gap, others differ from the standard paradigm: In particular, the ground state energy remains analytic, and the entanglement entropy of a half-chain stays finite. Examples demonstrate that these kinds of transitions can occur at the triple point of `conventional' QPTs.Comment: 5 pages, 1 figur

Functionality in single-molecule devices: Model calculations and applications of the inelastic electron tunneling signal in molecular junctions

We analyze how functionality could be obtained within single-molecule devices by using a combination of non-equilibrium Green's functions and ab-initio calculations to study the inelastic transport properties of single-molecule junctions. First we apply a full non-equilibrium Green's function technique to a model system with electron-vibration coupling. We show that the features in the inelastic electron tunneling spectra (IETS) of the molecular junctions are virtually independent of the nature of the molecule-lead contacts. Since the contacts are not easily reproducible from one device to another, this is a very useful property. The IETS signal is much more robust versus modifications at the contacts and hence can be used to build functional nanodevices. Second, we consider a realistic model of a organic conjugated molecule. We use ab-initio calculations to study how the vibronic properties of the molecule can be controlled by an external electric field which acts as a gate voltage. The control, through the gate voltage, of the vibron frequencies and (more importantly) of the electron-vibron coupling enables the construction of functionality: non-linear amplification and/or switching is obtained from the IETS signal within a single-molecule device.Comment: Accepted for publication in Journal of Chemical Physic

PEPS as unique ground states of local Hamiltonians

In this paper we consider projected entangled pair states (PEPS) on arbitrary lattices. We construct local parent Hamiltonians for each PEPS and isolate a condition under which the state is the unique ground state of the Hamiltonian. This condition, verified by generic PEPS and examples like the AKLT model, is an injective relation between the boundary and the bulk of any local region. While it implies the existence of an energy gap in the 1D case we will show that in certain cases (e.g., on a 2D hexagonal lattice) the parent Hamiltonian can be gapless with a critical ground state. To show this we invoke a mapping between classical and quantum models and prove that in these cases the injectivity relation between boundary and bulk solely depends on the lattice geometry.Comment: 8 page