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1

Quantum trajectories and open many-body quantum systems

The study of open quantum systems has become increasingly important in the past years, as the ability to control quantum coherence on a single particle level has been developed in a wide variety of physical systems. In quantum optics, the study of open systems goes well beyond understanding the breakdown of quantum coherence. There, the coupling to the environment is sufficiently well understood that it can be manipulated to drive the system into desired quantum states, or to project the system onto known states via feedback in quantum measurements. Many mathematical frameworks have been developed to describe such systems, which for atomic, molecular, and optical (AMO) systems generally provide a very accurate description of the open quantum system on a microscopic level. In recent years, AMO systems including cold atomic and molecular gases and trapped ions have been applied heavily to the study of many-body physics, and it has become important to extend previous understanding of open system dynamics in single- and few-body systems to this many-body context. A key formalism that has already proven very useful in this context is the quantum trajectories technique. This was developed as a numerical tool for studying dynamics in open quantum systems, and falls within a broader framework of continuous measurement theory as a way to understand the dynamics of large classes of open quantum systems. We review the progress that has been made in studying open many-body systems in the AMO context, focussing on the application of ideas from quantum optics, and on the implementation and applications of quantum trajectories methods. Control over dissipative processes promises many further tools to prepare interesting and important states in strongly interacting systems, including the realisation of parameter regimes in quantum simulators that are inaccessible via current techniques.

Andrew J. Daley

2014-05-26

2

Measure synchronization in quantum many-body systems

The concept of measure synchronization between two coupled quantum many-body systems is presented. In general terms we consider two quantum many-body systems whose dynamics gets coupled through the contact particle-particle interaction. This coupling is shown to produce measure synchronization, a generalization of synchrony to a large class of systems which takes place in absence of dissipation. We find that in quantum measure synchronization, the many-body quantum properties for the two subsystems, e.g. condensed fractions and particle fluctuations, behave in a coordinated way. To illustrate the concept we consider a simple case of two species of bosons occupying two distinct quantum states. Measure synchronization can be readily explored with state-of-the-art techniques in ultracold atomic gases and, if propertly controlled, be employed to share quantum correlations between different degrees of freedom.

Haibo Qiu; Bruno Julia-Diaz; Miguel Angel Garcia-March; Artur Polls

2014-10-24

3

Quantum many-body systems out of equilibrium

NASA Astrophysics Data System (ADS)

How do closed quantum many-body systems driven out of equilibrium eventually achieve equilibration? And how do these systems thermalize, given that they comprise so many degrees of freedom? Progress in answering these--and related--questions has accelerated in recent years--a trend that can be partially attributed to success with experiments performing quantum simulations using ultracold atoms and trapped ions. Here we provide an overview of this progress, specifically in studies probing dynamical equilibration and thermalization of systems driven out of equilibrium by quenches, ramps and periodic driving. In doing so, we also address topics such as the eigenstate thermalization hypothesis, typicality, transport, many-body localization and universality near phase transitions, as well as future prospects for quantum simulation.

Eisert, J.; Friesdorf, M.; Gogolin, C.

2015-02-01

4

Boundary driven open quantum many-body systems

In this lecture course I outline a simple paradigm of non-eqjuilibrium quantum statistical physics, namely we shall study quantum lattice systems with local, Hamiltonian (conservative) interactions which are coupled to the environment via incoherent processes only at the system's boundaries. This is arguably the simplest nontrivial context where one can study far from equilibrium steady states and their transport properties. We shall formulate the problem in terms of a many-body Markovian master equation (the so-called Lindblad equation, and some of its extensions, e.g. the Redfield eqaution). The lecture course consists of two main parts: Firstly, and most extensively we shall present canonical Liouville-space many-body formalism, the so-called 'third quantization' and show how it can be implemented to solve bi-linear open many-particle problems, the key peradigmatic examples being the XY spin 1/2 chains or quasi-free bosonic (or harmonic) chains. Secondly, we shall outline several recent approaches on how to approach exactly solvable open quantum interacting many-body problems, such as anisotropic Heisenberg ((XXZ) spin chain or fermionic Hubbard chain.

Prosen, Tomaž [Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana, Jadranska 19, SI-1000 Ljubljana (Slovenia)

2014-01-08

5

Periodically driven ergodic and many-body localized quantum systems

NASA Astrophysics Data System (ADS)

We study dynamics of isolated quantum many-body systems whose Hamiltonian is switched between two different operators periodically in time. The eigenvalue problem of the associated Floquet operator maps onto an effective hopping problem. Using the effective model, we establish conditions on the spectral properties of the two Hamiltonians for the system to localize in energy space. We find that ergodic systems always delocalize in energy space and heat up to infinite temperature, for both local and global driving. In contrast, many-body localized systems with quenched disorder remain localized at finite energy. We support our conclusions by numerical simulations of disordered spin chains. We argue that our results hold for general driving protocols, and discuss their experimental implications.

Ponte, Pedro; Chandran, Anushya; Papi?, Z.; Abanin, Dmitry A.

2015-02-01

6

Frustration, Entanglement, and Correlations in Quantum Many Body Systems

We derive an exact lower bound to a universal measure of frustration in degenerate ground states of quantum many-body systems. The bound results in the sum of two contributions: entanglement and classical correlations arising from local measurements. We show that average frustration properties are completely determined by the behavior of the maximally mixed ground state. We identify sufficient conditions for a quantum spin system to saturate the bound, and for models with twofold degeneracy we prove that average and local frustration coincide.

U. Marzolino; S. M. Giampaolo; F. Illuminati

2013-04-30

7

Burnett coefficients in quantum many-body systems

NASA Astrophysics Data System (ADS)

The Burnett coefficient B is investigated for transport in one-dimensional quantum many-body systems. Extensive numerical computations in spin-1/2 chains suggest a linear growth with time, B(t)˜t, for nonintegrable chains exhibiting diffusive transport. For integrable spin chains in the metallic regime, on the other hand, we find a cubic growth with time, B(t)˜-Dm2t3, with the proportionality constant being simply a square of the Drude weight Dm. The results are corroborated with additional studies in noninteracting quantum chains and in the classical limit of large-spin chains.

Steinigeweg, R.; Prosen, T.

2013-05-01

8

Unifying variational methods for simulating quantum many-body systems.

We introduce a unified formulation of variational methods for simulating ground state properties of quantum many-body systems. The key feature is a novel variational method over quantum circuits via infinitesimal unitary transformations, inspired by flow equation methods. Variational classes are represented as efficiently contractible unitary networks, including the matrix-product states of density matrix renormalization, multiscale entanglement renormalization (MERA) states, weighted graph states, and quantum cellular automata. In particular, this provides a tool for varying over classes of states, such as MERA, for which so far no efficient way of variation has been known. The scheme is flexible when it comes to hybridizing methods or formulating new ones. We demonstrate the functioning by numerical implementations of MERA, matrix-product states, and a new variational set on benchmarks. PMID:18517924

Dawson, C M; Eisert, J; Osborne, T J

2008-04-01

9

Unifying Variational Methods for Simulating Quantum Many-Body Systems

We introduce a unified formulation of variational methods for simulating ground state properties of quantum many-body systems. The key feature is a novel variational method over quantum circuits via infinitesimal unitary transformations, inspired by flow equation methods. Variational classes are represented as efficiently contractible unitary networks, including the matrix-product states of density matrix renormalization, multiscale entanglement renormalization (MERA) states, weighted graph states, and quantum cellular automata. In particular, this provides a tool for varying over classes of states, such as MERA, for which so far no efficient way of variation has been known. The scheme is flexible when it comes to hybridizing methods or formulating new ones. We demonstrate the functioning by numerical implementations of MERA, matrix-product states, and a new variational set on benchmarks.

Dawson, C. M. [Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Eisert, J. [Blackett Laboratory, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Physics Department, University of Potsdam, Am Neuen Palais 10, 14469 Potsdam (Germany); Osborne, T. J. [Department of Mathematics, Royal Holloway University of London, Egham, Surrey TW20 0EX (United Kingdom)

2008-04-04

10

Monte Carlo Studies of Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

This thesis describes studies of the ground-state properties of quantum many-body systems by Monte Carlo techniques. In the first part, an algorithm is described to address the fundamental "sign problem" in quantum Monte Carlo when applied to fermion systems. Implementation of this algorithm in a parallel distributed environment is then discussed. The last part presents variational calculations of the ground states of ^4 He clusters. The sign problem prevents exact simulations of large many-fermion systems without uncontrolled approximations. It arises because of the antisymmetric nature of wavefunctions of fermion systems, and because of the use of random sampling. The proposed new algorithm is within the framework of the Green's function Monte Carlo method. To attack the difficulties associated with the sign problem, several new ideas are introduced to improve the Monte Carlo sampling techniques. As tests, the energies of an excited state of the He atom and of the ground states of the Li, Be, and N atoms are calculated. The algorithm remained stable and the results were in excellent agreement with the experimental values for the energies. The fermion algorithm was parallelized and implemented on a coupled cluster of workstations using a message-passing environment. The method of parallelization maintains large granularity and therefore low overhead. Despite the stochastic nature of the algorithm, good load-balancing can be accomplished and reproducibility is ensured. Droplets of ^4He atoms, as an example of simple inhomogeneous quantum many-body systems, are of interest to condensed-matter physics as well as nuclear physics. Previous variational studies of their ground states were unsatisfactory as unphysical one-body form factors had to be used to enforce a bound state. The new trial wavefunction, based on the shadow wavefunction for bulk helium, has a modified shadow-shadow correlation that reflects the varying local density in the system. A bound state is obtained without recourse to one-body form factors. The bulk wavefunction is naturally recovered as the system size is increased.

Zhang, Shiwei

1993-01-01

11

Many-body localization in imperfectly isolated quantum systems.

We use numerical exact diagonalization to analyze which aspects of the many-body localization phenomenon survive in an imperfectly isolated setting, when the system of interest is weakly coupled to a thermalizing environment. We show that widely used diagnostics (such as many-body level statistics and expectation values in exact eigenstates) cease to show signatures of many-body localization above a critical coupling that is exponentially small in the size of the environment. However, we also identify alternative diagnostics for many-body localization, in the spectral functions of local operators. Diagnostics include a discrete spectrum and a hierarchy of energy gaps, including a universal gap at zero frequency. These alternative diagnostics are shown to be robust, and continue to show signatures of many-body localization as long as the coupling to the bath is weaker than the characteristic energy scales in the system. We also examine how these signatures disappear when the coupling to the environment becomes larger than the characteristic energy scales of the system. PMID:25839306

Johri, Sonika; Nandkishore, Rahul; Bhatt, R N

2015-03-20

12

Many-Body Localization in Imperfectly Isolated Quantum Systems

NASA Astrophysics Data System (ADS)

We use numerical exact diagonalization to analyze which aspects of the many-body localization phenomenon survive in an imperfectly isolated setting, when the system of interest is weakly coupled to a thermalizing environment. We show that widely used diagnostics (such as many-body level statistics and expectation values in exact eigenstates) cease to show signatures of many-body localization above a critical coupling that is exponentially small in the size of the environment. However, we also identify alternative diagnostics for many-body localization, in the spectral functions of local operators. Diagnostics include a discrete spectrum and a hierarchy of energy gaps, including a universal gap at zero frequency. These alternative diagnostics are shown to be robust, and continue to show signatures of many-body localization as long as the coupling to the bath is weaker than the characteristic energy scales in the system. We also examine how these signatures disappear when the coupling to the environment becomes larger than the characteristic energy scales of the system.

Johri, Sonika; Nandkishore, Rahul; Bhatt, R. N.

2015-03-01

13

General coordinate invariance in quantum many-body systems

NASA Astrophysics Data System (ADS)

We extend the notion of general coordinate invariance to many-body, not necessarily relativistic, systems. As an application, we investigate nonrelativistic general covariance in Galilei-invariant systems. The peculiar transformation rules for the background metric and gauge fields, first introduced by Son and Wingate in 2005 and refined in subsequent works, follow naturally from our framework. Our approach makes it clear that Galilei or Poincaré symmetry is by no means a necessary prerequisite for making the theory invariant under coordinate diffeomorphisms. General covariance merely expresses the freedom to choose spacetime coordinates at will, whereas the true, physical symmetries of the system can be separately implemented as "internal" symmetries within the vielbein formalism. A systematic way to implement such symmetries is provided by the coset construction. We illustrate this point by applying our formalism to nonrelativistic s -wave superfluids.

Brauner, Tomáš; Endlich, Solomon; Monin, Alexander; Penco, Riccardo

2014-11-01

14

General coordinate invariance in quantum many-body systems

We extend the notion of general coordinate invariance to many-body, not necessarily relativistic, systems. As an application, we investigate nonrelativistic general covariance in Galilei-invariant systems. The peculiar transformation rules for the background metric and gauge fields, first introduced by Son and Wingate in 2005 and refined in subsequent works, follow naturally from our framework. Our approach makes it clear that Galilei or Poincare symmetry is by no means a necessary prerequisite for making the theory invariant under coordinate diffeomorphisms. General covariance merely expresses the freedom to choose spacetime coordinates at will, whereas the true, physical symmetries of the system can be separately implemented as "internal" symmetries within the vielbein formalism. A systematic way to implement such symmetries is provided by the coset construction. We illustrate this point by applying our formalism to nonrelativistic s-wave superfluids.

Tomas Brauner; Solomon Endlich; Alexander Monin; Riccardo Penco

2014-10-21

15

Periodo de Concentracin Quantum Information and Quantum Many Body Systems

Phase Transitions, Topological order, Entaglement Responsables del periodo de concentración: David Pérez Systems David Pérez-García, Universidad Complutense de Madrid. 6 - 10 october 2008 #12;ADVANCED WORKSHOP. Huebner (Innbruck), S. Iblisdir (Barcelona), J.I. Latorre (Barcelona), J. León (CSIC), M.A. Martín

Tradacete, Pedro

16

Characterizing and quantifying frustration in quantum many-body systems.

We present a general scheme for the study of frustration in quantum systems. We introduce a universal measure of frustration for arbitrary quantum systems and we relate it to a class of entanglement monotones via an exact inequality. If all the (pure) ground states of a given Hamiltonian saturate the inequality, then the system is said to be inequality saturating. We introduce sufficient conditions for a quantum spin system to be inequality saturating and confirm them with extensive numerical tests. These conditions provide a generalization to the quantum domain of the Toulouse criteria for classical frustration-free systems. The models satisfying these conditions can be reasonably identified as geometrically unfrustrated and subject to frustration of purely quantum origin. Our results therefore establish a unified framework for studying the intertwining of geometric and quantum contributions to frustration. PMID:22243147

Giampaolo, S M; Gualdi, G; Monras, A; Illuminati, F

2011-12-23

17

Characterizing and Quantifying Frustration in Quantum Many-Body Systems

We present a general scheme for the study of frustration in quantum systems. We introduce a universal measure of frustration for arbitrary quantum systems and we relate it to a class of entanglement monotones via an exact inequality. If all the (pure) ground states of a given Hamiltonian saturate the inequality, then the system is said to be inequality saturating. We introduce sufficient conditions for a quantum spin system to be inequality saturating and confirm them with extensive numerical tests. These conditions provide a generalization to the quantum domain of the Toulouse criteria for classical frustration-free systems. The models satisfying these conditions can be reasonably identified as geometrically unfrustrated and subject to frustration of purely quantum origin. Our results therefore establish a unified framework for studying the intertwining of geometric and quantum contributions to frustration.

S. M. Giampaolo; G. Gualdi; A. Monras; F. Illuminati

2012-01-05

18

Quantum Field Theory of Many-body Systems from the Origin of Sound

Quantum Field Theory of Many-body Systems Â from the Origin of Sound to an Origin of Light-model, quantum gauge theory, dualities, projective construction, and exactly soluble models beyond one: Condensed mater physics, many-body, quantum field theory, gauge theory, topological order, quantum matter

Wen, Xiao-Gang

19

A quantum many-body spin system in an optical lattice clock.

Strongly interacting quantum many-body systems arise in many areas of physics, but their complexity generally precludes exact solutions to their dynamics. We explored a strongly interacting two-level system formed by the clock states in (87)Sr as a laboratory for the study of quantum many-body effects. Our collective spin measurements reveal signatures of the development of many-body correlations during the dynamical evolution. We derived a many-body Hamiltonian that describes the experimental observation of atomic spin coherence decay, density-dependent frequency shifts, severely distorted lineshapes, and correlated spin noise. These investigations open the door to further explorations of quantum many-body effects and entanglement through use of highly coherent and precisely controlled optical lattice clocks. PMID:23929976

Martin, M J; Bishof, M; Swallows, M D; Zhang, X; Benko, C; von-Stecher, J; Gorshkov, A V; Rey, A M; Ye, Jun

2013-08-01

20

Schrieffer-Wolff transformation for quantum many-body systems

The Schrieffer-Wolff (SW) method is a version of degenerate perturbation theory in which the low-energy effective Hamiltonian H{sub eff} is obtained from the exact Hamiltonian by a unitary transformation decoupling the low-energy and high-energy subspaces. We give a self-contained summary of the SW method with a focus on rigorous results. We begin with an exact definition of the SW transformation in terms of the so-called direct rotation between linear subspaces. From this we obtain elementary proofs of several important properties of H{sub eff} such as the linked cluster theorem. We then study the perturbative version of the SW transformation obtained from a Taylor series representation of the direct rotation. Our perturbative approach provides a systematic diagram technique for computing high-order corrections to H{sub eff}. We then specialize the SW method to quantum spin lattices with short-range interactions. We establish unitary equivalence between effective low-energy Hamiltonians obtained using two different versions of the SW method studied in the literature. Finally, we derive an upper bound on the precision up to which the ground state energy of the nth-order effective Hamiltonian approximates the exact ground state energy. - Highlights: > The Schrieffer-Wolff transformation is specialized to quantum spin lattices with short-range interactions. > We provide a diagram technique for computing high-order corrections to the effective low-energy Hamiltonian. > We derive a rigorous bound on the error up to which the nth-order effective low-energy dynamics approximates the exact dynamics.

Bravyi, Sergey, E-mail: sbravyi@us.ibm.com [IBM Watson Research Center, Yorktown Heights, NY 10598 (United States); DiVincenzo, David P., E-mail: d.divincenzo@fz-juelich.de [RWTH Aachen and Forschungszentrum Juelich (Germany); Loss, Daniel, E-mail: Daniel.Loss@unibas.ch [Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel (Switzerland)

2011-10-15

21

Numerical Simulations of Quantum Many-body Systems

The goals of our DOE work were to develop numerical tools in order to (1) determine the actual phase of particular many-electron models and (2) to understand the underlying mechanisms responsible for the observed phases. Over the years, DOE funds provided support for a number of graduate students and postdoctoral fellows who have gone on to continue and extend this effort. Looking back, they were more successful in determining the types of correlations that developed in particular models and less successful in establishing the underlying mechanisms. For example, they found clear evidence for antiferromagnetism, d{sub x{sup 3}-y{sup 2}}-pairing correlations, and stripes in various t-t{prime}-J and Hubbard models. Here, the stripes consisted of 1/2-filled domain walls of holes separated by {pi}-phase shifted antiferromagnetic regions. They found that a next-near-neighbor hopping t{prime} with t{prime}/t > 0 suppressed the stripes and favored the d{sub x{sup 3}-y{sup 2}}-pairing correlations. They studied a model of a CuO, 2-leg ladder and found that d{sub x{sup 3}-y{sup 2}} correlations formed when the system was doped with either electrons or holes. Another example that they studied was a two-dimensional spin 1/2 easy plane model with a near-neighbor exchange J and a four-site ring exchange K. In this J-K model, as K/J is increased, one moves from XY order to stripe order and to Ising antiferromagnetic order. They are still exploring the unusual transition between the Xy and striped phase. The key feature that we found was that strongly-correlated, many-electron systems are 'delicately balanced' between different possible phases. They also believe that their work provides strong support in favor of Anderson's suggestion that the Hubbard model contains the basic physics of the cuprates. That is, it exhibits antiferromagnetism, d{sub x{sup 3}-y{sup 2}}-pairing correlations, and stripes as the half-filled model is doped with holes. They were not as successful in determining the basic mechanisms. Specifically, they sought to determine the basic pairing mechanism. They tried various approaches and concluded that the spin-fluctuations play a central role. However, it was only recently, with Professor Mark Jarrell (UC) and Dr. Thomas Maier (ORNL), that they have found clear evidence that the pairing is mediated by an S = 1 particle-hole fluctuation.

Scalapino, Douglas J.

1998-04-20

22

Quantum Phase Space, Quantization Hierarchy, and Eclectic Quantum Many-Body System

An operator-valued quantum phase space formula is constructed. The phase space formula of Quantum Mechanics provides a natural link between first and second quantization, thus contributing to the understanding of quantization problem. By the combination of quantization and hamiltonization of dynamics, a quantization hierarchy is introduced, beyond the framework of first and second quantization and generalizing the standard quantum theory. We apply our quantization method to quantum many-body system and propose an eclectic model, in which the dimension of Hilbert space does not scale exponentially with the number of particles due to the locality of interaction, and the evolution is a constrained Hamiltonian dynamics.

Dong-Sheng Wang

2014-10-05

23

A positive tensor network approach for simulating open quantum many-body systems

Open many-body quantum systems play an important role in quantum optics and condensed-matter physics, and capture phenomena like transport, interplay between Hamiltonian and incoherent dynamics, and topological order generated by dissipation. We introduce a versatile method to numerically simulate one-dimensional open quantum many-body dynamics using tensor networks representing mixed quantum states in a locally purified form. This strategy guarantees that positivity is preserved at all times, while keeping the algorithm stable and efficient, thus actually overcoming various obstacles of the known numerical open-system evolution schemes. To exemplify the functioning of the approach, we study both stationary states and transient dissipative behaviour, for various open quantum systems ranging from few to many-body physics.

A. H. Werner; D. Jaschke; P. Silvi; T. Calarco; J. Eisert; S. Montangero

2014-12-18

24

NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER

Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.

DeMille, David; LeHur, Karyn

2013-11-27

25

Editorial: Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

The dynamics and thermalization of classical systems have been extensively studied in the past. However, the corresponding quantum phenomena remain, to a large extent, uncharted territory. Recent experiments with ultracold quantum gases have at last allowed exploration of the coherent dynamics of isolated quantum systems, as well as observation of non-equilibrium phenomena that challenge our current understanding of the dynamics of quantum many-body systems. These experiments have also posed many new questions. How can we control the dynamics to engineer new states of matter? Given that quantum dynamics is unitary, under which conditions can we expect observables of the system to reach equilibrium values that can be predicted by conventional statistical mechanics? And, how do the observables dynamically approach their statistical equilibrium values? Could the approach to equilibrium be hampered if the system is trapped in long-lived metastable states characterized, for example, by a certain distribution of topological defects? How does the dynamics depend on the way the system is perturbed, such as changing, as a function of time and at a given rate, a parameter across a quantum critical point? What if, conversely, after relaxing to a steady state, the observables cannot be described by the standard equilibrium ensembles of statistical mechanics? How would they depend on the initial conditions in addition to the other properties of the system, such as the existence of conserved quantities? The search for answers to questions like these is fundamental to a new research field that is only beginning to be explored, and to which researchers with different backgrounds, such as nuclear, atomic, and condensed-matter physics, as well as quantum optics, can make, and are making, important contributions. This body of knowledge has an immediate application to experiments in the field of ultracold atomic gases, but can also fundamentally change the way we approach and understand many-body quantum systems. This focus issue of New Journal Physics brings together both experimentalists and theoreticians working on these problems to provide a comprehensive picture of the state of the field. Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems Contents Spin squeezing of high-spin, spatially extended quantum fields Jay D Sau, Sabrina R Leslie, Marvin L Cohen and Dan M Stamper-Kurn Thermodynamic entropy of a many-body energy eigenstate J M Deutsch Ground states and dynamics of population-imbalanced Fermi condensates in one dimension Masaki Tezuka and Masahito Ueda Relaxation dynamics in the gapped XXZ spin-1/2 chain Jorn Mossel and Jean-Sébastien Caux Canonical thermalization Peter Reimann Minimally entangled typical thermal state algorithms E M Stoudenmire and Steven R White Manipulation of the dynamics of many-body systems via quantum control methods Julie Dinerman and Lea F Santos Multimode analysis of non-classical correlations in double-well Bose-Einstein condensates Andrew J Ferris and Matthew J Davis Thermalization in a quasi-one-dimensional ultracold bosonic gas I E Mazets and J Schmiedmayer Two simple systems with cold atoms: quantum chaos tests and non-equilibrium dynamics Cavan Stone, Yassine Ait El Aoud, Vladimir A Yurovsky and Maxim Olshanii On the speed of fluctuations around thermodynamic equilibrium Noah Linden, Sandu Popescu, Anthony J Short and Andreas Winter A quantum central limit theorem for non-equilibrium systems: exact local relaxation of correlated states M Cramer and J Eisert Quantum quench dynamics of the sine-Gordon model in some solvable limits A Iucci and M A Cazalilla Nonequilibrium quantum dynamics of atomic dark solitons A D Martin and J Ruostekoski Quantum quenches in the anisotropic spin-1?2 Heisenberg chain: different approaches to many-body dynamics far from equilibrium Peter Barmettler, Matthias Punk, Vladimir Gritsev, Eugene Demler and Ehud Altman Crossover from adiabatic to sudden interaction quenches in the Hubbard model: prethermalization and non-equilibrium dynamics Mic

Cazalilla, M. A.; Rigol, M.

2010-05-01

26

Variational Principle for Steady States of Dissipative Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

We present a novel generic framework to approximate the nonequilibrium steady states of dissipative quantum many-body systems. It is based on the variational minimization of a suitable norm of the quantum master equation describing the dynamics. We show how to apply this approach to different classes of variational quantum states and demonstrate its successful application to a dissipative extension of the Ising model, which is of importance to ongoing experiments on ultracold Rydberg atoms, as well as to a driven-dissipative variant of the Bose-Hubbard model. Finally, we identify several advantages of the variational approach over previously employed mean-field-like methods.

Weimer, Hendrik

2015-01-01

27

Coherent Imaging Spectroscopy of a Quantum Many-Body Spin System

Quantum simulators, in which well controlled quantum systems are used to reproduce the dynamics of less understood ones, have the potential to explore physics that is inaccessible to modeling with classical computers. However, checking the results of such simulations will also become classically intractable as system sizes increase. In this work, we introduce and implement a coherent imaging spectroscopic technique to validate a quantum simulation, much as magnetic resonance imaging exposes structure in condensed matter. We use this method to determine the energy levels and interaction strengths of a fully-connected quantum many-body system. Additionally, we directly measure the size of the critical energy gap near a quantum phase transition. We expect this general technique to become an important verification tool for quantum simulators once experiments advance beyond proof-of-principle demonstrations and exceed the resources of conventional computers.

C. Senko; J. Smith; P. Richerme; A. Lee; W. C. Campbell; C. Monroe

2014-01-22

28

Isolated many-body quantum systems far from equilibrium: Relaxation process and thermalization

We present an overview of our recent numerical and analytical results on the dynamics of isolated interacting quantum systems that are taken far from equilibrium by an abrupt perturbation. The studies are carried out on one-dimensional systems of spins-1/2, which are paradigmatic models of many-body quantum systems. Our results show the role of the interplay between the initial state and the post-perturbation Hamiltonian in the relaxation process, the size of the fluctuations after equilibration, and the viability of thermalization.

Torres-Herrera, E. J.; Santos, Lea F. [Physics Department, Yeshiva University, New York, New York 10016 (United States)

2014-10-15

29

Quasiparticle engineering and entanglement propagation in a quantum many-body system

NASA Astrophysics Data System (ADS)

The key to explaining and controlling a range of quantum phenomena is to study how information propagates around many-body systems. Quantum dynamics can be described by particle-like carriers of information that emerge in the collective behaviour of the underlying system, the so-called quasiparticles. These elementary excitations are predicted to distribute quantum information in a fashion determined by the system's interactions. Here we report quasiparticle dynamics observed in a quantum many-body system of trapped atomic ions. First, we observe the entanglement distributed by quasiparticles as they trace out light-cone-like wavefronts. Second, using the ability to tune the interaction range in our system, we observe information propagation in an experimental regime where the effective-light-cone picture does not apply. Our results will enable experimental studies of a range of quantum phenomena, including transport, thermalization, localization and entanglement growth, and represent a first step towards a new quantum-optic regime of engineered quasiparticles with tunable nonlinear interactions.

Jurcevic, P.; Lanyon, B. P.; Hauke, P.; Hempel, C.; Zoller, P.; Blatt, R.; Roos, C. F.

2014-07-01

30

Thermopower as a tool to investigate many-body effects in quantum systems

Measuring the thermopower of a confined quantum system reveals important information about its excitation spectrum. Our simulations show how this kind of transport spectroscopy is able to extract a clear signal for the onset of Wigner localization in a nanowire segment. This demonstrates that thermopower measurements provide a tool for investigating complex many-body quantum effects, which is less intrusive than the usual charge-stability diagram as no high source-drain bias is required. While the effect is most pronounced for weak tunnel coupling and low temperatures, the excited states also significantly affect the thermopower spectrum at moderate temperature, adding distinct features to the characteristic thermopower lineshape.

Kristinsdóttir, L. H.; Bengtsson, J.; Reimann, S. M.; Wacker, A., E-mail: Andreas.Wacker@fysik.lu.se [Nanometer Structure Consortium (nmC-LU), Lund University, Box 118, 22100 Lund (Sweden); Mathematical Physics, Lund University, Box 118, 22100 Lund (Sweden); Linke, H. [Nanometer Structure Consortium (nmC-LU), Lund University, Box 118, 22100 Lund (Sweden); Solid State Physics, Lund University, Box 118, 22100 Lund (Sweden)

2014-08-25

31

The walk-sum method for simulating quantum many-body systems

We present the method of walk-sum to study the real-time dynamics of interacting quantum many-body systems. The walk-sum method generates explicit expressions for any desired pieces of an evolution operator U independently of any others. The computational cost for evaluating any such piece at a fixed order grows polynomially with the number of particles. Walk-sum is valid for systems presenting long-range interactions and in any geometry. We illustrate the method by means of two physical systems.

Pierre-Louis Giscard; Martin Kiffner; Dieter Jaksch

2014-04-15

32

Seniority in quantum many-body systems. I. Identical particles in a single shell

A discussion of the seniority quantum number in many-body systems is presented. The analysis is carried out for bosons and fermions simultaneously but is restricted to identical particles occupying a single shell. The emphasis of the paper is on the possibility of {\\em partial} conservation of seniority which turns out to be a peculiar property of spin-9/2 fermions but prevalent in systems of interacting bosons of any spin. Partial conservation of seniority is at the basis of the existence of seniority isomers, frequently observed in semi-magic nuclei, and also gives rise to peculiar selection rules in one-nucleon transfer reactions.

P. Van Isacker; S. Heinze

2014-06-16

33

Equivalent dynamical complexity in a many-body quantum and collective human system

Proponents of Complexity Science believe that the huge variety of emergent phenomena observed throughout nature, are generated by relatively few microscopic mechanisms [1-7]. Skeptics however point to the lack of concrete examples in which a single mechanistic model manages to capture relevant macroscopic and microscopic properties for two or more distinct systems operating across radically different length and time scales. Here we show how a single complexity model built around cluster coalescence and fragmentation, can cross the fundamental divide between many-body quantum physics and social science. It simultaneously (i) explains a mysterious recent finding concerning quantum many-body effects in cuprate superconductors [8,9] (i.e. scale of 10^{-9}-10^{-4} meters and 10^{-12}-10^{-6} seconds), (ii) explains the apparent universality of the casualty distributions in distinct human insurgencies and terrorism [10] (i.e. scale of 10^{3}-10^{6} meters and 10^{4}-10^{8} seconds), (iii) shows consistency with var...

Johnson, Neil F; Zhao, Zhenyuan; Quiroga, Luis

2010-01-01

34

The Interplay of Localization and Interactions in Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

Disorder and interactions both play crucial roles in quantum transport. Decades ago, Mott showed that electron-electron interactions can lead to insulating behavior in materials that conventional band theory predicts to be conducting. Soon thereafter, Anderson demonstrated that disorder can localize a quantum particle through the wave interference phenomenon of Anderson localization. Although interactions and disorder both separately induce insulating behavior, the interplay of these two ingredients is subtle and often leads to surprising behavior at the periphery of our current understanding. Modern experiments probe these phenomena in a variety of contexts (e.g., disordered superconductors, cold atoms, photonic waveguides, etc.); thus, theoretical and numerical advancements are urgently needed. In this thesis, we report progress on understanding two contexts in which the interplay of disorder and interactions is especially important. The first is the so-called "dirty" or random boson problem. In the past decade, a strong-disorder renormalization group (SDRG) treatment by Altman, Kafri, Polkovnikov, and Refael has raised the possibility of a new unstable fixed point governing the superfluid-insulator transition in the one-dimensional dirty boson problem. This new critical behavior may take over from the weak-disorder criticality of Giamarchi and Schulz when disorder is sufficiently strong. We analytically determine the scaling of the superfluid susceptibility at the strong-disorder fixed point and connect our analysis to recent Monte Carlo simulations by Hrahsheh and Vojta. We then shift our attention to two dimensions and use a numerical implementation of the SDRG to locate the fixed point governing the superfluid-insulator transition there. We identify several universal properties of this transition, which are fully independent of the microscopic features of the disorder. The second focus of this thesis is the interplay of localization and interactions in systems with high energy density (i.e., far from the usual low energy limit of condensed matter physics). Recent theoretical and numerical work indicates that localization can survive in this regime, provided that interactions are sufficiently weak. Stronger interactions can destroy localization, leading to a so-called many-body localization transition. This dynamical phase transition is relevant to questions of thermalization in isolated quantum systems: it separates a many-body localized phase, in which localization prevents transport and thermalization, from a conducting ("ergodic") phase in which the usual assumptions of quantum statistical mechanics hold. Here, we present evidence that many-body localization also occurs in quasiperiodic systems that lack true disorder.

Iyer, Shankar

35

NASA Astrophysics Data System (ADS)

We analyze the nature of the statistics of the work done on or by a quantum many-body system brought out of equilibrium. We show that, for the sudden quench and for an initial state that commutes with the initial Hamiltonian, it is possible to retrieve the whole nonequilibrium thermodynamics via single projective measurements of observables. We highlight, in a physically clear way, the qualitative implications for the statistics of work coming from considering processes described by operators that either commute or do not commute with the unperturbed Hamiltonian of a given system. We consider a quantum many-body system and derive an expression that allows us to give a physical interpretation, for a thermal initial state, to all of the cumulants of the work in the case of quenched operators commuting with the unperturbed Hamiltonian. In the commuting case, the observables that we need to measure have an intuitive physical meaning. Conversely, in the noncommuting case, we show that, although it is possible to operate fully within the single-measurement framework irrespectively of the size of the quench, some difficulties are faced in providing a clear-cut physical interpretation to the cumulants. This circumstance makes the study of the physics of the system nontrivial and highlights the nonintuitive phenomenology of the emergence of thermodynamics from the fully quantum microscopic description. We illustrate our ideas with the example of the Ising model in a transverse field showing the interesting behavior of the high-order statistical moments of the work distribution for a generic thermal state and linking them to the critical nature of the model itself.

Fusco, L.; Pigeon, S.; Apollaro, T. J. G.; Xuereb, A.; Mazzola, L.; Campisi, M.; Ferraro, A.; Paternostro, M.; De Chiara, G.

2014-07-01

36

NASA Astrophysics Data System (ADS)

Tensor network states (TNS) methods combined with the Monte Carlo (MC) technique have been proven a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of the tensors, it is easy to get stuck in local minima when optimizing the TNS of the simulated physical systems. To overcome this difficulty, we introduce a replica-exchange molecular dynamics optimization algorithm to obtain the TNS ground state, based on the MC sampling technique, by mapping the energy function of the TNS to that of a classical mechanical system. The method is expected to effectively avoid local minima. We make benchmark tests on a 1D Hubbard model based on matrix product states (MPS) and a Heisenberg J1–J2 model on square lattice based on string bond states (SBS). The results show that the optimization method is robust and efficient compared to the existing results.

Liu, Wenyuan; Wang, Chao; Li, Yanbin; Lao, Yuyang; Han, Yongjian; Guo, Guang-Can; Zhao, Yong-Hua; He, Lixin

2015-03-01

37

NASA Astrophysics Data System (ADS)

Recent developments in the study of ultracold Rydberg gases demand an advanced level of experimental sophistication, in which high atomic and optical densities must be combined with excellent control of external fields and sensitive Rydberg atom detection. We describe a tailored experimental system used to produce and study Rydberg-interacting atoms excited from dense ultracold atomic gases. The experiment has been optimized for fast duty cycles using a high flux cold atom source and a three beam optical dipole trap. The latter enables tuning of the atomic density and temperature over several orders of magnitude, all the way to the Bose-Einstein condensation transition. An electrode structure surrounding the atoms allows for precise control over electric fields and single-particle sensitive field ionization detection of Rydberg atoms. We review two experiments which highlight the influence of strong Rydberg-Rydberg interactions on different many-body systems. First, the Rydberg blockade effect is used to pre-structure an atomic gas prior to its spontaneous evolution into an ultracold plasma. Second, hybrid states of photons and atoms called dark-state polaritons are studied. By looking at the statistical distribution of Rydberg excited atoms we reveal correlations between dark-state polaritons. These experiments will ultimately provide a deeper understanding of many-body phenomena in strongly-interacting regimes, including the study of strongly-coupled plasmas and interfaces between atoms and light at the quantum level.

Hofmann, C. S.; Günter, G.; Schempp, H.; Müller, N. L. M.; Faber, A.; Busche, H.; Robert-de-Saint-Vincent, M.; Whitlock, S.; Weidemüller, M.

2014-10-01

38

Simulating open quantum systems: from many-body interactions to stabilizer pumping

In a recent experiment, Barreiro et al. demonstrated the fundamental building blocks of an open-system quantum simulator with trapped ions [Nature 470, 486 (2011)]. Using up to five ions, single- and multi-qubit entangling gate operations were combined with optical pumping in stroboscopic sequences. This enabled the implementation of both coherent many-body dynamics as well as dissipative processes by controlling the coupling of the system to an artificial, suitably tailored environment. This engineering was illustrated by the dissipative preparation of entangled two- and four-qubit states, the simulation of coherent four-body spin interactions and the quantum non-demolition measurement of a multi-qubit stabilizer operator. In the present paper, we present the theoretical framework of this gate-based ("digital") simulation approach for open-system dynamics with trapped ions. In addition, we discuss how within this simulation approach minimal instances of spin models of interest in the context of topological quantum computing and condensed matter physics can be realized in state-of-the-art linear ion-trap quantum computing architectures. We outline concrete simulation schemes for Kitaev's toric code Hamiltonian and a recently suggested color code model. The presented simulation protocols can be adapted to scalable and two-dimensional ion-trap architectures, which are currently under development.

M. Mueller; K. Hammerer; Y. L. Zhou; C. F. Roos; P. Zoller

2011-04-13

39

Spectrum of quantum transfer matrices via classical many-body systems

NASA Astrophysics Data System (ADS)

In this paper we clarify the relationship between inhomogeneous quantum spin chains and classical integrable many-body systems. It provides an alternative (to the nested Bethe ansatz) method for computation of spectra of the spin chains. Namely, the spectrum of the quantum transfer matrix for the inhomogeneous n -invariant XXX spin chain on N sites with twisted boundary conditions can be found in terms of velocities of particles in the rational N -body Ruijsenaars-Schneider model. The possible values of the velocities are to be found from intersection points of two Lagrangian submanifolds in the phase space of the classical model. One of them is the Lagrangian hyperplane corresponding to fixed coordinates of all N particles and the other one is an N -dimensional Lagrangian submanifold obtained by fixing levels of N classical Hamiltonians in involution. The latter are determined by eigenvalues of the twist matrix. To support this picture, we give a direct proof that the eigenvalues of the Lax matrix for the classical Ruijsenaars-Schneider model, where velocities of particles are substituted by eigenvalues of the spin chain Hamiltonians, calculated through the Bethe equations, coincide with eigenvalues of the twist matrix, with certain multiplicities. We also prove a similar statement for the n Gaudin model with N marked points (on the quantum side) and the Calogero-Moser system with N particles (on the classical side). The realization of the results obtained in terms of branes and supersymmetric gauge theories is also discussed.

Gorsky, A.; Zabrodin, A.; Zotov, A.

2014-01-01

40

Off-diagonal matrix elements of local operators in many-body quantum systems

In the time evolution of isolated quantum systems out of equilibrium, local observables generally relax to a long-time asymptotic value, governed by the expectation values (diagonal matrix elements) of the corresponding operator in the eigenstates of the system. The temporal fluctuations around this value, response to further perturbations, and the relaxation toward this asymptotic value, are all determined by the off-diagonal matrix elements. Motivated by this non-equilibrium role, we present generic statistical properties of off-diagonal matrix elements of local observables in two families of interacting many-body systems with local interactions. Since integrability (or lack thereof) is an important ingredient in the relaxation process, we analyze models that can be continuously tuned to integrability. We show that, for generic non-integrable systems, the distribution of off-diagonal matrix elements is a gaussian centered at zero. As one approaches integrability, the peak around zero becomes sharper, so that the distribution is approximately a combination of two gaussians. We characterize the proximity to integrability through the deviation of this distribution from a gaussian shape. We also determine the scaling dependence on system size of the average magnitude of off-diagonal matrix elements.

Wouter Beugeling; Roderich Moessner; Masudul Haque

2015-01-29

41

Off-diagonal matrix elements of local operators in many-body quantum systems

NASA Astrophysics Data System (ADS)

In the time evolution of isolated quantum systems out of equilibrium, local observables generally relax to a long-time asymptotic value, governed by the expectation values (diagonal matrix elements) of the corresponding operator in the eigenstates of the system. The temporal fluctuations around this value, response to further perturbations, and the relaxation toward this asymptotic value are all determined by the off-diagonal matrix elements. Motivated by this nonequilibrium role, we present generic statistical properties of off-diagonal matrix elements of local observables in two families of interacting many-body systems with local interactions. Since integrability (or lack thereof) is an important ingredient in the relaxation process, we analyze models that can be continuously tuned to integrability. We show that, for generic nonintegrable systems, the distribution of off-diagonal matrix elements is a Gaussian centered at zero. As one approaches integrability, the peak around zero becomes sharper, so the distribution is approximately a combination of two Gaussians. We characterize the proximity to integrability through the deviation of this distribution from a Gaussian shape. We also determine the scaling dependence on system size of the average magnitude of off-diagonal matrix elements.

Beugeling, Wouter; Moessner, Roderich; Haque, Masudul

2015-01-01

42

Off-diagonal matrix elements of local operators in many-body quantum systems.

In the time evolution of isolated quantum systems out of equilibrium, local observables generally relax to a long-time asymptotic value, governed by the expectation values (diagonal matrix elements) of the corresponding operator in the eigenstates of the system. The temporal fluctuations around this value, response to further perturbations, and the relaxation toward this asymptotic value are all determined by the off-diagonal matrix elements. Motivated by this nonequilibrium role, we present generic statistical properties of off-diagonal matrix elements of local observables in two families of interacting many-body systems with local interactions. Since integrability (or lack thereof) is an important ingredient in the relaxation process, we analyze models that can be continuously tuned to integrability. We show that, for generic nonintegrable systems, the distribution of off-diagonal matrix elements is a Gaussian centered at zero. As one approaches integrability, the peak around zero becomes sharper, so the distribution is approximately a combination of two Gaussians. We characterize the proximity to integrability through the deviation of this distribution from a Gaussian shape. We also determine the scaling dependence on system size of the average magnitude of off-diagonal matrix elements. PMID:25679607

Beugeling, Wouter; Moessner, Roderich; Haque, Masudul

2015-01-01

43

The problem of how to visualize and sometimes solve a general many-body system is considered. The ideas are established in the context of very simple small systems, a Hubbard model and a coupled electron-phonon model, both on two lattice sites. These models are also solved to good approximation in the thermodynamic limit, although the Hubbard model is restricted to a small number of holes away from the Mott insulating state. Response functions are also considered. A fairly general many-body Hamiltonian is considered. It consists of an electron or other fermion kinetic energy and electron-electron interactions, which may be coupled to a bose field such as a phonon. The phonons themselves may be nonlinear (have self-interactions). The system may be strongly coupled. One may also add coupling to an external driving field, such as an ac electric field. The methods discussed are nonperturbative, and so differ from the standard methods of diagrammatic perturbation theory. A comparison is made with diagrammatic methods in the context of the random phase approximation. 6 refs., 12 figs.

Trugman, S.A.

1989-01-01

44

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.

P. A. Bouvrie; A. P. Majtey; M. C. Tichy; J. S. Dehesa; A. R. Plastino

2014-08-29

45

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

NASA Astrophysics Data System (ADS)

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.

Bouvrie, Peter A.; Majtey, Ana P.; Tichy, Malte C.; Dehesa, Jesus S.; Plastino, Angel R.

2014-11-01

46

Quantum Information Processing with Quantum Zeno Many-Body Dynamics

We show how the quantum Zeno effect can be exploited to control quantum many-body dynamics for quantum information and computation purposes. In particular, we consider a one dimensional array of three level systems interacting via a nearest-neighbour interaction. By encoding the qubit on two levels and using simple projective frequent measurements yielding the quantum Zeno effect, we demonstrate how to

Alex Monras; Oriol Romero-Isart

2008-01-01

47

A Correlation Estimate for Quantum Many-Body Systems at Positive Temperature

We present an inequality that gives a lower bound on the expectation value of certain two-body interaction potentials in a general state on Fock space in terms of the corresponding expectation value for thermal equilibrium states of non-interacting systems and the difference in the free energy. This bound can be viewed as a rigorous version of first order perturbation theory for many-body systems at positive temperature. As an application, we give a proof of the first two terms in a high density (and high temperature) expansion of the free energy of jellium with Coulomb interactions, both in the fermionic and bosonic case. For bosons, our method works above the transition temperature (for the non-interacting gas) for Bose-Einstein condensation.

Robert Seiringer

2006-04-18

48

Local unitary operations allow for a unifying approach to the quantification of quantum correlations among the constituents of a bipartite quantum systems. The distance between a given state and its image under least perturbing local unitary operations is a bona fide measure of quantum entanglement, the so-called entanglement of response, for pure states, while for mixed states it is a bona fide measure of quantum correlations, the so-called discord of response. Exploiting this unifying approach, we perform a detailed comparison between two-body entanglement and two-body quantum correlations in infinite XY quantum spin chains both in symmetry-preserving and symmetry-breaking ground states as well as in thermal states at finite temperature.

M. Cianciaruso; S. M. Giampaolo; W. Roga; G. Zonzo; M. Blasone; F. Illuminati

2014-12-02

49

Eigenvalues and low energy eigenvectors of quantum many-body systems

I first give an overview of the thesis and Matrix Product States (MPS) representation of quantum spin systems on a line with an improvement on the notation. The rest of this thesis is divided into two parts. The first part ...

Movassagh, Ramis

2012-01-01

50

Trapping ultracold atoms in optical lattices enabled numerous breakthroughs uniting several disciplines. Although the light is a key ingredient in such systems, its quantum properties are typically neglected, reducing the role of light to a classical tool for atom manipulation. Here we show how elevating light to the quantum level leads to novel phenomena, inaccessible in setups based on classical optics. Interfacing a many-body atomic system with quantum light opens it to the environment in an essentially nonlocal way, where spatial coupling can be carefully designed. The competition between typical processes in strongly correlated systems (local tunnelling and interaction) with global measurement backaction leads to novel multimode dynamics and the appearance of long-range correlated tunnelling capable of entangling distant lattices sites, even when tunnelling between neighbouring sites is suppressed by the quantum Zeno effect. We demonstrate both the break-up and protection of strongly interacting fermion pairs by different measurements.

Gabriel Mazzucchi; Wojciech Kozlowski; Santiago F. Caballero-Benitez; Thomas J. Elliott; Igor B. Mekhov

2015-03-30

51

Trapping ultracold atoms in optical lattices enabled numerous breakthroughs uniting several disciplines. Although the light is a key ingredient in such systems, its quantum properties are typically neglected, reducing the role of light to a classical tool for atom manipulation. Here we show how elevating light to the quantum level leads to novel phenomena, inaccessible in setups based on classical optics. Interfacing a many-body atomic system with quantum light opens it to the environment in an essentially nonlocal way, where spatial coupling can be carefully designed. The competition between typical processes in strongly correlated systems (local tunnelling and interaction) with global measurement backaction leads to novel multimode dynamics and the appearance of long-range correlated tunnelling capable of entangling distant lattices sites, even when tunnelling between neighbouring sites is suppressed by the quantum Zeno effect. We demonstrate both the break-up and protection of strongly interacting fermion ...

Mazzucchi, Gabriel; Caballero-Benitez, Santiago F; Elliott, Thomas J; Mekhov, Igor B

2015-01-01

52

Nuclear forces and the quantum many-body problem

1. Challenges for the nuclear many-body problem Intricate nuclear forces, which have yet to be completely determined, two different fermionic species (protons and neutrons) and the lack of an external force, generate a range and diversity of behaviours that make the nucleus a truly unique quantum many-body system. One major goal of the physics of nuclei is to develop a

B R Barrett; D J Dean; M Hjorth-Jensen; J P Vary

2005-01-01

53

NASA Astrophysics Data System (ADS)

A new method, here called thermal Gaussian molecular dynamics (TGMD), for simulating the dynamics of quantum many-body systems has recently been introduced [I. Georgescu and V. A. Mandelshtam, Phys. Rev. B 82, 094305 (2010)]. As in the centroid molecular dynamics (CMD), in TGMD the N-body quantum system is mapped to an N-body classical system. The associated both effective Hamiltonian and effective force are computed within the variational Gaussian wave-packet approximation. The TGMD is exact for the high-temperature limit, accurate for short times, and preserves the quantum canonical distribution. For a harmonic potential and any form of operator hat{A}, it provides exact time correlation functions CAB(t) at least for the case of hat{B}, a linear combination of the position, hat{x}, and momentum, hat{p}, operators. While conceptually similar to CMD and other quantum molecular dynamics approaches, the great advantage of TGMD is its computational efficiency. We introduce the many-body implementation and demonstrate it on the benchmark problem of calculating the velocity time auto-correlation function for liquid para-hydrogen, using a system of up to N = 2592 particles.

Georgescu, IonuÅ£; Deckman, Jason; Fredrickson, Laura J.; Mandelshtam, Vladimir A.

2011-05-01

54

A new method, here called thermal Gaussian molecular dynamics (TGMD), for simulating the dynamics of quantum many-body systems has recently been introduced [I. Georgescu and V. A. Mandelshtam, Phys. Rev. B 82, 094305 (2010)]. As in the centroid molecular dynamics (CMD), in TGMD the N-body quantum system is mapped to an N-body classical system. The associated both effective Hamiltonian and effective force are computed within the variational Gaussian wave-packet approximation. The TGMD is exact for the high-temperature limit, accurate for short times, and preserves the quantum canonical distribution. For a harmonic potential and any form of operator A?, it provides exact time correlation functions C(AB)(t) at least for the case of B, a linear combination of the position, x, and momentum, p, operators. While conceptually similar to CMD and other quantum molecular dynamics approaches, the great advantage of TGMD is its computational efficiency. We introduce the many-body implementation and demonstrate it on the benchmark problem of calculating the velocity time auto-correlation function for liquid para-hydrogen, using a system of up to N = 2592 particles. PMID:21548675

Georgescu, Ionut; Deckman, Jason; Fredrickson, Laura J; Mandelshtam, Vladimir A

2011-05-01

55

Complexity of controlling quantum many-body dynamics

We demonstrate that arbitrary time evolutions of many-body quantum systems can be reversed even in cases when only part of the Hamiltonian can be controlled. The reversed dynamics obtained via optimal control—contrary to ...

Caneva, T.

56

Quantum nonlocality. Detecting nonlocality in many-body quantum states.

Intensive studies of entanglement properties have proven essential for our understanding of quantum many-body systems. In contrast, much less is known about the role of quantum nonlocality in these systems because the available multipartite Bell inequalities involve correlations among many particles, which are difficult to access experimentally. We constructed multipartite Bell inequalities that involve only two-body correlations and show how they reveal the nonlocality in many-body systems relevant for nuclear and atomic physics. Our inequalities are violated by any number of parties and can be tested by measuring total spin components, opening the way to the experimental detection of many-body nonlocality, for instance with atomic ensembles. PMID:24926014

Tura, J; Augusiak, R; Sainz, A B; Vértesi, T; Lewenstein, M; Acín, A

2014-06-13

57

Many-body entanglement in gapped quantum systems : representation, classification, and application

Entanglement is a special form of quantum correlation that exists among quantum particles and it has been realized that surprising things can happen when a large number of particles are entangled together. For example, ...

Chen, Xie, Ph. D. Massachusetts Institute of Technology

2012-01-01

58

Gauging Quantum States: From Global to Local Symmetries in Many-Body Systems

NASA Astrophysics Data System (ADS)

We present an operational procedure to transform global symmetries into local symmetries at the level of individual quantum states, as opposed to typical gauging prescriptions for Hamiltonians or Lagrangians. We then construct a compatible gauging map for operators, which preserves locality and reproduces the minimal coupling scheme for simple operators. By combining this construction with the formalism of projected entangled-pair states (PEPS), we can show that an injective PEPS for the matter fields is gauged into a G -injective PEPS for the combined gauge-matter system, which potentially has topological order. We derive the corresponding parent Hamiltonian, which is a frustration-free gauge-theory Hamiltonian closely related to the Kogut-Susskind Hamiltonian at zero coupling constant. We can then introduce gauge dynamics at finite values of the coupling constant by applying a local filtering operation. This scheme results in a low-parameter family of gauge-invariant states of which we can accurately probe the phase diagram, as we illustrate by studying a Z2 gauge theory with Higgs matter.

Haegeman, Jutho; Van Acoleyen, Karel; Schuch, Norbert; Cirac, J. Ignacio; Verstraete, Frank

2015-01-01

59

Two-time correlations are a crucial tool to probe the dynamics of many-body systems. We use these correlation functions to study the dynamics of dissipative quantum systems. Extending the adiabatic elimination method, we show that the correlations can display two distinct behaviors, depending on the observable of interest: a fast exponential decay, with a timescale of the order of the dissipative coupling, or a much slower dynamics. We apply this formalism to bosons in a double well subjected to phase noise. While the single-particle correlations decay exponentially, the density-density correlations display slow aging dynamics. We also show that the two-time correlations of dissipatively engineered quantum states can evolve in a drastically different manner compared to their Hamiltonian counterparts.

Bruno Sciolla; Dario Poletti; Corinna Kollath

2014-07-18

60

Probing quantum and thermal noise in an interacting many-body system

Physik, UniversitÂ¨at Innsbruck, Technikerstr. 21a, A-6020 Innsbruck, Austria 5 Department of Physics statistics in an atom laser11 and the Hanbury BrownÂTwiss effect for both bosons and fermions12ÂKosterlitzÂThouless transition in a two-dimensional quantum gas16 . Recently, it has been suggested that the full statistics

Loss, Daniel

61

of the same object. Such a superposition is generally referred to as ``SchroÂ¨dinger cat state'' SCS following SchroÂ¨dinger's dis- cussion of quantum superposition of ``live cat'' and ``dead cat'' states 1 been realized, e.g., for the Rydberg atomic electron states 5 , photons in a microwave cavity 3

62

The statistical measures of complexity defined by Lopez-Ruiz, Mancini, and Calbet (LMC) and Shiner, Davison and Landsberg (SDL) are calculated as functions of the number of particles for four quantum many-body systems, i.e. atoms, nuclei, atomic clusters, and correlated atoms in a trap (bosons). A pair of order and disorder strengths, evaluated for each system, can serve as a Pair of Order-Disorder Indices (PODI), characterizing quantitatively order versus disorder in any quantum system. According to the above classification, we assign to bosons the complexity character of disorder, to atoms the character of order, while nuclei and atomic clusters are (less) disordered and lie between them. This criterion can be used to estimate the relative contribution of order and disorder to complexity for other more complicated quantum systems as well and even classical ones, if one is able to describe them probabilistically. We also address the issue, whether those systems can grow in complexity as the number of particles increases. Our comparative study indicates that atoms are the only quantum system out of four, which is ordered, with the ability to self-organize. We conjecture that this is an information-theoretic reason that atoms are suitable as building blocks of larger structures of biological interest i.e. molecules and macromolecules. This is in the spirit of Wheeler's "it from bit" quote, the project to present everything about the Universe in terms of information theory.

C. P. Panos; K. Ch. Chatzisavvas

2009-02-09

63

We have experimentally tested a recently suggested possibility for anomalous sensitivity of the cross sections of dissipative heavy ion collisions. Cross sections for the $^{19}$F+$^{27}$Al dissipative collisions were measured at the fixed energy 118.75 MeV of the $^{19}$F for the 12 different beam spots on the same target foil. The data demonstrate dramatic differences between the cross sections for the different beam spots. The effect may indicate deterministic randomness in complex quantum collisions. New experiments are highly desirable in a view of the fundamental importance of the problem.

Qi Wang; Jian-Long Han; Yu-Chuan Dong; Song-Lin Li; Li-Min Duan; Hu-Shan Xu; Hua-Gen Xu; Ruo-Fu Chen; He-Yu Wu; Zhen Bai; Zhi-Chang Li; Xiu-Qin Lu; Kui Zhao; Jian-Cheng Liu; Guo-Ji Xu; S. Yu. Kun

2007-05-31

64

Clusters of bound particles in a quantum integrable many-body system and number theory

We construct clusters of bound particles for a quantum integrable derivative delta-function Bose gas in one dimension. It is found that clusters of bound particles can be constructed for this Bose gas for some special values of the coupling constant, by taking the quasi-momenta associated with the corresponding Bethe state to be equidistant points on a single circle in the complex momentum plane. Interestingly, there exists a connection between the above mentioned special values of the coupling constant and some fractions belonging to the Farey sequences in number theory. This connection leads to a classification of the clusters of bound particles for the derivative delta-function Bose gas and the determination of various properties of these clusters like their size and their stability under a variation of the coupling constant.

B. Basu-Mallick; Tanaya Bhattacharyya; Diptiman Sen

2014-10-25

65

We propose an elegant formulation of parafermionic algebra and parasupersymmetry of arbitrary order in quantum many-body systems without recourse to any specific matrix representation of parafermionic operators and any kind of deformed algebra. Within our formulation, we show generically that every parasupersymmetric quantum system of order p consists of N-fold supersymmetric pairs with N{<=}p and thus has weak quasi-solvability and isospectral property. We also propose a new type of non-linear supersymmetries, called quasi-parasupersymmetry, which is less restrictive than parasupersymmetry and is different from N-fold supersymmetry even in one-body systems though the conserved charges are represented by higher-order linear differential operators. To illustrate how our formulation works, we construct second-order parafermionic algebra and three simple examples of parasupersymmetric quantum systems of order 2, one is essentially equivalent to the one-body Rubakov-Spiridonov type and the others are two-body systems in which two supersymmetries are folded. In particular, we show that the first model admits a generalized 2-fold superalgebra.

Tanaka, Toshiaki [Department of Physics, National Cheng-Kung University, Tainan 701, Taiwan (China); National Center for Theoretical Sciences, Taiwan (China)], E-mail: ttanaka@mail.ncku.edu.tw

2007-10-15

66

Many-Body Localization in Dipolar Systems

NASA Astrophysics Data System (ADS)

Systems of strongly interacting dipoles offer an attractive platform to study many-body localized phases, owing to their long coherence times and strong interactions. We explore conditions under which such localized phases persist in the presence of power-law interactions and supplement our analytic treatment with numerical evidence of localized states in one dimension. We propose and analyze several experimental systems that can be used to observe and probe such states, including ultracold polar molecules and solid-state magnetic spin impurities.

Yao, N. Y.; Laumann, C. R.; Gopalakrishnan, S.; Knap, M.; Müller, M.; Demler, E. A.; Lukin, M. D.

2014-12-01

67

Many-body localization in dipolar systems.

Systems of strongly interacting dipoles offer an attractive platform to study many-body localized phases, owing to their long coherence times and strong interactions. We explore conditions under which such localized phases persist in the presence of power-law interactions and supplement our analytic treatment with numerical evidence of localized states in one dimension. We propose and analyze several experimental systems that can be used to observe and probe such states, including ultracold polar molecules and solid-state magnetic spin impurities. PMID:25541771

Yao, N Y; Laumann, C R; Gopalakrishnan, S; Knap, M; Müller, M; Demler, E A; Lukin, M D

2014-12-12

68

DiracQ: A Quantum Many-Body Physics Package

We present a software package DiracQ, for use in quantum many-body Physics. It is designed for helping with typical algebraic manipulations that arise in quantum Condensed Matter Physics and Nuclear Physics problems, and also in some subareas of Chemistry. DiracQ is invoked within a Mathematica session, and extends the symbolic capabilities of Mathematica by building in standard commutation and anticommutation rules for several objects relevant in many-body Physics. It enables the user to carry out computations such as evaluating the commutators of arbitrary combinations of spin, Bose and Fermi operators defined on a discrete lattice, or the position and momentum operators in the continuum. Some examples from popular systems, such as the Hubbard model, are provided to illustrate the capabilities of the package.

John G. Wright; B. Sriram Shastry

2013-01-20

69

Decoherence of many-body systems due to many-body interactions

We study a spin-gas model, where N{sub S} system qubits are interacting with N{sub B} bath qubits via many-body interactions. We consider multipartite Ising interactions and show how the effect of decoherence depends on the specific coupling between the system and its environment. For instance, we analyze the influence of decoherence induced by k-body interactions for different values of k. Moreover, we study how the effect of decoherence depends on the correlation between bath qubits that are coupled to different individual system qubits and compare Markovian with non-Markovian scenarios. We derive a useful canonical form of a completely positive map that describes a class of system environment interactions with a finite size of environment correlations. As examples we consider specific quantum many-body states and investigate their evolution under different decoherence models. As a complementary investigation, we study how the coupling to the environment can be employed to generate a desired multipartite state.

Carle, T.; Kraus, B. [Institute for Theoretical Physics, University of Innsbruck, Innsbruck (Austria); Briegel, H. J. [Institute for Theoretical Physics, University of Innsbruck, Innsbruck (Austria); Institute for Quantum Optics and Quantum Information, Austrian Academy of Science, Innsbruck (Austria)

2011-07-15

70

Entanglement and Nonlocality in Many-Body Systems: a primer

Current understanding of correlations and quantum phase transitions in many-body systems has significantly improved thanks to the recent intensive studies of their entanglement properties. In contrast, much less is known about the role of quantum non-locality in these systems. On the one hand, standard, "theorist- and experimentalist-friendly" many-body observables involve correlations among only few (one, two, rarely three...) particles. On the other hand, most of the available multipartite Bell inequalities involve correlations among many particles. Such correlations are notoriously hard to access theoretically, and even harder experimentally. Typically, there is no Bell inequality for many-body systems built only from low-order correlation functions. Recently, however, it has been shown in [J. Tura et al., Science 344, 1256 (2014)] that multipartite Bell inequalities constructed only from two-body correlation functions are strong enough to reveal non-locality in some many-body states, in particular those relevant for nuclear and atomic physics. The purpose of this lecture is to provide an overview of the problem of quantum correlations in many-body systems - from entanglement to nonlocality - and the methods for their characterization.

J. Tura; A. B. Sainz; T. Grass; R. Augusiak; A. Acín; M. Lewenstein

2015-01-12

71

Quantum many-body interactions in digital oxide superlattices

NASA Astrophysics Data System (ADS)

Controlling the electronic properties of interfaces has enormous scientific and technological implications and has been recently extended from semiconductors to complex oxides that host emergent ground states not present in the parent materials. These oxide interfaces present a fundamentally new opportunity where, instead of conventional bandgap engineering, the electronic and magnetic properties can be optimized by engineering quantum many-body interactions. We use an integrated oxide molecular-beam epitaxy and angle-resolved photoemission spectroscopy system to synthesize and investigate the electronic structure of superlattices of the Mott insulator LaMnO3 and the band insulator SrMnO3. By digitally varying the separation between interfaces in (LaMnO3)2n/(SrMnO3)n superlattices with atomic-layer precision, we demonstrate that quantum many-body interactions are enhanced, driving the electronic states from a ferromagnetic polaronic metal to a pseudogapped insulating ground state. This work demonstrates how many-body interactions can be engineered at correlated oxide interfaces, an important prerequisite to exploiting such effects in novel electronics.

Monkman, Eric J.; Adamo, Carolina; Mundy, Julia A.; Shai, Daniel E.; Harter, John W.; Shen, Dawei; Burganov, Bulat; Muller, David A.; Schlom, Darrell G.; Shen, Kyle M.

2012-10-01

72

A Central Limit Theorem in Many-Body Quantum Dynamics

NASA Astrophysics Data System (ADS)

We study the many body quantum evolution of bosonic systems in the mean field limit. The dynamics is known to be well approximated by the Hartree equation. So far, the available results have the form of a law of large numbers. In this paper we go one step further and we show that the fluctuations around the Hartree evolution satisfy a central limit theorem. Interestingly, the variance of the limiting Gaussian distribution is determined by a time-dependent Bogoliubov transformation describing the dynamics of initial coherent states in a Fock space representation of the system.

Arous, Gérard Ben; Kirkpatrick, Kay; Schlein, Benjamin

2013-07-01

73

Scattering approach to quantum transport and many body effects

NASA Astrophysics Data System (ADS)

We review a series of works discussing how the scattering approach to quantum transport developed by Landauer and Buttiker for one body elastic scatterers can be extended to the case where electron-electron interactions act inside the scattering region and give rise to many body scattering. Firstly, we give an exact numerical result showing that at zero temperature a many body scatterer behaves as an effective one body scatterer, with an interaction dependent transmission. Secondly, we underline that this effective scatterer depends on the presence of external scatterers put in its vicinity. The implications of this non local scattering are illustrated studying the conductance of a quantum point contact where electrons interact with a scanning gate microscope. Thirdly, using the numerical renormalization group developed by Wilson for the Kondo problem, we study a double dot spinless model with an inter-dot interaction U and inter-dot hopping td, coupled to leads by hopping terms tc. We show that the quantum conductance as a function of td is given by a universal function, independently of the values of U and tc, if one measures td in units of a characteristic scale ?(U,tc). Mapping the double dot system without spin onto a single dot Anderson model with spin and magnetic field, we show that ?(U,tc) = 2TK, where TK is the Kondo temperature of the Anderson model.

Pichard, Jean-Louis; Freyn, Axel

2010-12-01

74

Analyzing many-body localization with a quantum computer

Many-body localization, the persistence against electron-electron interactions of the localization of states with non-zero excitation energy density, poses a challenge to current methods of theoretical and numerical analysis. Numerical simulations have so far been limited to a small number of sites, making it difficult to obtain reliable statements about the thermodynamic limit. In this paper, we explore the ways in which a relatively small quantum computer could be leveraged to study many-body localization. We show that, in addition to studying time-evolution, a quantum computer can, in polynomial time, obtain eigenstates at arbitrary energies to sufficient accuracy that localization can be observed. The limitations of quantum measurement, which preclude the possibility of directly obtaining the entanglement entropy, make it difficult to apply some of the definitions of many-body localization used in the recent literature. We discuss alternative tests of localization that can be implemented on a quantum computer.

Bela Bauer; Chetan Nayak

2014-11-05

75

Analyzing Many-Body Localization with a Quantum Computer

NASA Astrophysics Data System (ADS)

Many-body localization, the persistence against electron-electron interactions of the localization of states with nonzero excitation energy density, poses a challenge to current methods of theoretical and numerical analyses. Numerical simulations have so far been limited to a small number of sites, making it difficult to obtain reliable statements about the thermodynamic limit. In this paper, we explore the ways in which a relatively small quantum computer could be leveraged to study many-body localization. We show that, in addition to studying time evolution, a quantum computer can, in polynomial time, obtain eigenstates at arbitrary energies to sufficient accuracy that localization can be observed. The limitations of quantum measurement, which preclude the possibility of directly obtaining the entanglement entropy, make it difficult to apply some of the definitions of many-body localization used in the recent literature. We discuss alternative tests of localization that can be implemented on a quantum computer.

Bauer, Bela; Nayak, Chetan

2014-10-01

76

Quantum quenches in the many-body localized phase

NASA Astrophysics Data System (ADS)

Many-body localized (MBL) systems are characterized by the absence of transport and thermalization and, therefore, cannot be described by conventional statistical mechanics. In this paper, using analytic arguments and numerical simulations, we study the behavior of local observables in an isolated MBL system following a quantum quench. For the case of a global quench, we find that the local observables reach stationary, highly nonthermal values at long times as a result of slow dephasing characteristic of the MBL phase. These stationary values retain the local memory of the initial state due to the existence of local integrals of motion in the MBL phase. The temporal fluctuations around stationary values exhibit universal power-law decay in time, with an exponent set by the localization length and the diagonal entropy of the initial state. Such a power-law decay holds for any local observable and is related to the logarithmic in time growth of entanglement in the MBL phase. This behavior distinguishes the MBL phase from both the Anderson insulator (where no stationary state is reached) and from the ergodic phase (where relaxation is expected to be exponential). For the case of a local quench, we also find a power-law approach of local observables to their stationary values when the system is prepared in a mixed state. Quench protocols considered in this paper can be naturally implemented in systems of ultracold atoms in disordered optical lattices, and the behavior of local observables provides a direct experimental signature of many-body localization.

Serbyn, Maksym; Papi?, Z.; Abanin, D. A.

2014-11-01

77

Studying many-body physics through quantum coding theory

The emerging closeness between correlated spin systems and error-correcting codes enables us to use coding theoretical techniques to study physical properties of many-body spin systems. This thesis illustrates the use of ...

Yoshida, Beni

2012-01-01

78

We study the emergence of collective dynamics in the integrable Hamiltonian system of two finite ensembles of coupled harmonic oscillators. After identification of a collective degree of freedom, the Hamiltonian is mapped onto a model of Caldeira-Leggett type, where the collective coordinate is coupled to an internal bath of phonons. In contrast to the usual Caldeira-Leggett model, the bath in the present case is part of the system. We derive an equation of motion for the collective coordinate which takes the form of a damped harmonic oscillator. We show that the distribution of quantum transition strengths induced by the collective mode is determined by its classical dynamics.

Jens Hammerling; Boris Gutkin; Thomas Guhr

2009-11-13

79

Entanglement replication in driven dissipative many-body systems.

We study the dissipative dynamics of two independent arrays of many-body systems, locally driven by a common entangled field. We show that in the steady state the entanglement of the driving field is reproduced in an arbitrarily large series of inter-array entangled pairs over all distances. Local nonclassical driving thus realizes a scale-free entanglement replication and long-distance entanglement distribution mechanism that has immediate bearing on the implementation of quantum communication networks. PMID:25166146

Zippilli, S; Paternostro, M; Adesso, G; Illuminati, F

2013-01-25

80

NASA Astrophysics Data System (ADS)

Recent cold atom researches are reaching out far beyond the realm that was conventionally viewed as atomic physics. Many long standing issues in other physics disciplines or in Gedanken-experiments are nowadays common targets of cold atom physicists. Two prominent examples will be discussed in this talk: BEC-BCS crossover and Efimov physics. Here, cold atoms are employed to emulate electrons in superconductors, and nucleons in nuclear reactions, respectively. The ability to emulate exotic or thought systems using cold atoms stems from the precisely determined, simple, and tunable interaction properties of cold atoms. New experimental tools have also been devised toward an ultimate goal: a complete control and a complete characterization of a few- or many-body quantum system. We are tantalizingly close to this major milestone, and will soon open new venues to explore new quantum phenomena that may (or may not!) exist in scientists' dreams.

Chin, Cheng

2011-06-01

81

Many-body energy localization transition in periodically driven systems

According to the second law of thermodynamics the total entropy of a system is increased during almost any dynamical process. The positivity of the specific heat implies that the entropy increase is associated with heating. This is generally true both at the single particle level, like in the Fermi acceleration mechanism of charged particles reflected by magnetic mirrors, and for complex systems in everyday devices. Notable exceptions are known in noninteracting systems of particles moving in periodic potentials. Here the phenomenon of dynamical localization can prevent heating beyond certain threshold. The dynamical localization is known to occur both at classical (Fermi–Ulam model) and at quantum levels (kicked rotor). However, it was believed that driven ergodic systems will always heat without bound. Here, on the contrary, we report strong evidence of dynamical localization transition in both classical and quantum periodically driven ergodic systems in the thermodynamic limit. This phenomenon is reminiscent of many-body localization in energy space. -- Highlights: •A dynamical localization transition in periodically driven ergodic systems is found. •This phenomenon is reminiscent of many-body localization in energy space. •Our results are valid for classical and quantum systems in the thermodynamic limit. •At critical frequency, the short time expansion for the evolution operator breaks down. •The transition is associated to a divergent time scale.

D’Alessio, Luca, E-mail: dalessio@buphy.bu.edu [Physics Department, Boston University, Boston, MA 02215 (United States) [Physics Department, Boston University, Boston, MA 02215 (United States); Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106 (United States); Polkovnikov, Anatoli, E-mail: asp@bu.edu [Physics Department, Boston University, Boston, MA 02215 (United States)] [Physics Department, Boston University, Boston, MA 02215 (United States)

2013-06-15

82

We study the interplay between collective and incoherent single-particle motion in a model of two chains of particles whose interaction comprises a non-integrable part. In the perturbative regime, but for a general form of the interaction, we calculate the spectral density for collective excitations. We obtain the remarkable result that it always has a unique semiclassical interpretation. We show this by a proper renormalization procedure which allows us to map our system to a Caldeira-Leggett--type of model in which the bath is part of the system.

Jens Hammerling; Boris Gutkin; Thomas Guhr

2010-12-14

83

Computational nuclear quantum many-body problem: The UNEDF project

The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. The primary focus of the project was on constructing, validating, and applying an optimized nuclear energy density functional, which entailed a wide range of pioneering developments in microscopic nuclear structure and reactions, algorithms, high-performance computing, and uncertainty quantification. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay.

Fann, George I [ORNL

2013-01-01

84

NASA Astrophysics Data System (ADS)

Feynman path-integral quantum Monte Carlo (QMC) simulations and an analytic many-body approach are used to study the ground state properties of one-dimensional (1D) chains in the theoretical framework of model Hamiltonians of the Hubbard type. The QMC algorithm is employed to derive position-space quantities, while band structure properties are evaluated by combining QMC data with expressions derived in momentum (k) space. Bridging link between both representations is the quasi-chemical approximation (QCA). Electronic charge fluctuations <(?n2i)> and the fluctuations of the magnetic local moments <(?s2i)> are studied as a function of the on-site density

Böhm, Michael C.; Schulte, Joachim; Utrera, Luis

85

Petascale Many Body Methods for Complex Correlated Systems

NASA Astrophysics Data System (ADS)

Correlated systems constitute an important class of materials in modern condensed matter physics. Correlation among electrons are at the heart of all ordering phenomena and many intriguing novel aspects, such as quantum phase transitions or topological insulators, observed in a variety of compounds. Yet, theoretically describing these phenomena is still a formidable task, even if one restricts the models used to the smallest possible set of degrees of freedom. Here, modern computer architectures play an essential role, and the joint effort to devise efficient algorithms and implement them on state-of-the art hardware has become an extremely active field in condensed-matter research. To tackle this task single-handed is quite obviously not possible. The NSF-OISE funded PIRE collaboration ``Graduate Education and Research in Petascale Many Body Methods for Complex Correlated Systems'' is a successful initiative to bring together leading experts around the world to form a virtual international organization for addressing these emerging challenges and educate the next generation of computational condensed matter physicists. The collaboration includes research groups developing novel theoretical tools to reliably and systematically study correlated solids, experts in efficient computational algorithms needed to solve the emerging equations, and those able to use modern heterogeneous computer architectures to make then working tools for the growing community.

Pruschke, Thomas

2012-02-01

86

Phase transitions in fermionic systems with many-body interaction

NASA Technical Reports Server (NTRS)

A linearized version of the Hartree-Fock method is used as a probe to investigate phase transitions in fermionic systems with many-body interactions. An application to a new exactly solvable model which includes two- and three-body forces is shown.

Bozzolo, G.; Plastino, A.; Ferrante, J.

1989-01-01

87

Preparation of many-body states for quantum simulation.

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum states on a lattice in real space. In particular, the present algorithm is able to prepare general pure and mixed many-particle states of any number of particles. It relies on a procedure for converting from a second-quantized state to its first-quantized counterpart. The algorithm is efficient in that it operates in time that is polynomial in all the essential descriptors of the system, the number of particles, the resolution of the lattice, and the inverse of the maximum final error. This scaling holds under the assumption that the wave function to be prepared is bounded or its indefinite integral is known and that the Fock operator of the system is efficiently simulatable. PMID:19466819

Ward, Nicholas J; Kassal, Ivan; Aspuru-Guzik, Alán

2009-05-21

88

Preparation of many-body states for quantum simulation

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum states on a lattice in real space. In particular, the present algorithm is able to prepare general pure and mixed many-particle states of any number of particles. It relies on a procedure for converting from a second-quantized state to its first-quantized counterpart. The algorithm is efficient in that it operates in time that is polynomial in all the essential descriptors of the system, the number of particles, the resolution of the lattice, and the inverse of the maximum final error. This scaling holds under the assumption that the wave function to be prepared is bounded or its indefinite integral is known and that the Fock operator of the system is efficiently simulatable.

Ward, Nicholas J.; Kassal, Ivan; Aspuru-Guzik, Alan [Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 (United States)

2009-05-21

89

Scaling in many-body systems and proton structure function

The observation of scaling in processes in which a weakly interacting probe delivers large momentum ${\\bf q}$ to a many-body system simply reflects the dominance of incoherent scattering off target constituents. While a suitably defined scaling function may provide rich information on the internal dynamics of the target, in general its extraction from the measured cross section requires careful consideration of the nature of the interaction driving the scattering process. The analysis of deep inelastic electron-proton scattering in the target rest frame within standard many-body theory naturally leads to the emergence of a scaling function that, unlike the commonly used structure functions $F_1$ and $F_2$, can be directly identified with the intrinsic proton response.

Omar Benhar

2001-10-17

90

Rotation of quantum impurities in the presence of a many-body environment

We develop a microscopic theory describing a quantum impurity whose rotational degree of freedom is coupled to a many-particle bath. We approach the problem by introducing the concept of an 'angulon' - a quantum rotor dressed by a quantum field - and reveal its quasiparticle properties using a combination of variational and diagrammatic techniques. Our theory predicts renormalisation of the impurity rotational structure, such as observed in experiments with molecules in superfluid helium droplets, in terms of a rotational Lamb shift induced by the many-particle environment. Furthermore, we discover a rich many-body-induced fine structure, emerging in rotational spectra due to a redistribution of angular momentum within the quantum many-body system.

Schmidt, Richard

2015-01-01

91

Many-Body Quantum Spin Dynamics with Monte Carlo Trajectories on a Discrete Phase Space

NASA Astrophysics Data System (ADS)

Interacting spin systems are of fundamental relevance in different areas of physics, as well as in quantum information science and biology. These spin models represent the simplest, yet not fully understood, manifestation of quantum many-body systems. An important outstanding problem is the efficient numerical computation of dynamics in large spin systems. Here, we propose a new semiclassical method to study many-body spin dynamics in generic spin lattice models. The method is based on a discrete Monte Carlo sampling in phase space in the framework of the so-called truncated Wigner approximation. Comparisons with analytical and numerically exact calculations demonstrate the power of the technique. They show that it correctly reproduces the dynamics of one- and two-point correlations and spin squeezing at short times, thus capturing entanglement. Our results open the possibility to study the quantum dynamics accessible to recent experiments in regimes where other numerical methods are inapplicable.

Schachenmayer, J.; Pikovski, A.; Rey, A. M.

2015-01-01

92

Lattice simulations for few- and many-body systems

We review the recent literature on lattice simulations for few- and many-body systems. We focus on methods and results that combine the framework of effective field theory with computational lattice methods. Lattice effective field theory is discussed for cold atoms as well as low-energy nucleons with and without pions. A number of different lattice formulations and computational algorithms are considered, and an effort is made to show common themes in studies of cold atoms and low-energy nuclear physics as well as common themes in work by different collaborations.

Dean Lee

2008-12-13

93

Critical quasienergy states in driven many-body systems

NASA Astrophysics Data System (ADS)

We discuss singularities in the spectrum of driven many-body spin systems. In contrast to undriven models, the driving allows us to control the geometry of the quasienergy landscape. As a consequence, one can engineer singularities in the density of quasienergy states by tuning an external control. We show that the density of levels exhibits logarithmic divergences at the saddle points, while jumps are due to local minima of the quasienergy landscape. We discuss the characteristic signatures of these divergences in observables such as the magnetization, which should be measurable with current technology.

Bastidas, V. M.; Engelhardt, G.; Pérez-Fernández, P.; Vogl, M.; Brandes, T.

2014-12-01

94

Novel many-body transport phenomenon in coupled quantum wires.

We demonstrate the presence of a resonant interaction between a pair of coupled quantum wires, which are formed in the ultrahigh mobility two-dimensional electron gas of a GaAs/AlGaAs quantum well. The coupled-wire system is realized by an extension of the split-gate technique, in which bias voltages are applied to Schottky gates on the semiconductor surface, to vary the width of the two quantum wires, as well as the strength of the coupling between them. The key observation of interest here is one in which the gate voltages used to define one of the wires are first fixed, after which the conductance of this wire is measured as the gate voltage used to form the other wire is swept. Over the range of gate voltage where the swept wire pinches off, we observe a resonant peak in the conductance of the fixed wire that is correlated precisely to this pinchoff condition. In this paper, we present new results on the current- and temperature-dependence of this conductance resonance, which we suggest is related to the formation of a local moment in the swept wire as its conductance is reduced below 2e{sup 2}/h.

Sasaki, T. (Chiba University, Chiba, Japan); Lilly, Michael Patrick; Bird, J. P. (Arizona State University, Tempe, AZ); Shailos, A. (Arizona State University, Tempe, AZ); Reno, John Louis; Ochiai, Y. (Chiba University, Chiba, Japan); Aoki, N. (Chiba University, Chiba, Japan); Iwase, Y. (Chiba University, Chiba, Japan); Morimoto, T. (Chiba University, Chiba, Japan); Simmons, Jerry Alvon

2003-08-01

95

Adiabatic many-body state preparation and information transfer in quantum dot arrays

Quantum simulation of many-body systems are one of the most interesting tasks of quantum technology. Among them is the preparation of a many-body system in its ground state when the vanishing energy gap makes the cooling mechanisms ineffective. Adiabatic theorem, as an alternative to cooling, can be exploited for driving the many-body system to its ground state. In this paper, we study two most common disorders in quantum dot arrays, namely exchange coupling fluctuations and hyperfine interaction, in adiabatically preparation of ground state in such systems. We show that the adiabatic ground state preparation is highly robust against those disorder effects making it good analog simulator. Moreover, we also study the adiabatic classical information transfer, using singlet-triplet states, across a spin chain. In contrast to ground state preparation the transfer mechanism is highly affected by disorder and in particular, the hyperfine interaction is very destructive for the performance. This suggests that for communication tasks across such arrays adiabatic evolution is not as effective and quantum quenches could be preferable.

Umer Farooq; Abolfazl Bayat; Stefano Mancini; Sougato Bose

2014-11-05

96

Exploring dynamics of unstable many-body systems

In this work we acquaint reader with the Continuum Shell Model (CSM), which is a proper theoretical tool for the description of physics of unstable systems. We describe the effective non-Hermitian Hamiltonian of the CSM and concentrate on specific aspects of dynamics using realistic examples. The continuum effects are discussed in the case of weakly bound heavy oxygen isotopes, where inclusion of continuum coupling is necessary to improve the traditional nuclear shell model techniques. Physics of overlapping resonances is illustrated using recent experimental information on {sup 8}B nucleus. In the limit of strong continuum coupling the many-body states restructure relative to continuum leading to a few very broad super-radiant states, while at the same time other states become narrow and nearly decoupled from decay. The recent observations of very broad alpha clustering states in {sup 18}O is one of the most transparent manifestations of super-radiance.

Volya, Alexander [Department of Physics, Florida State University, Tallahassee, FL 32306-4350 (United States); Zelevinsky, Vladimir [National Superconducting Cyclotron Laboratory and Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States)

2014-10-15

97

Bosonic many-body theory of quantum spin ice

NASA Astrophysics Data System (ADS)

We carry out an analytical study of quantum spin ice, a U (1 ) quantum spin liquid close to the classical spin-ice solution for an effective spin-1/2 model with anisotropic exchange couplings Jz z, J±, and Jz ± on the pyrochlore lattice. Starting from the quantum rotor model introduced by Savary and Balents [Phys. Rev. Lett. 108, 037202 (2012), 10.1103/PhysRevLett.108.037202], we retain the dynamics of both the spinons and gauge field sectors in our treatment. The spinons are described by a bosonic representation of quantum XY rotors, while the dynamics of the gauge field is captured by a phenomenological Hamiltonian. By calculating the one-loop spinon self-energy, which is proportional to Jz± 2, we determine the stability region of the U (1 ) quantum spin-liquid phase in the J±/Jz z versus Jz ±/Jz z zero-temperature phase diagram. From these results, we estimate the location of the boundaries between the spin-liquid phase and classical long-range ordered phases.

Hao, Zhihao; Day, Alexandre G. R.; Gingras, Michel J. P.

2014-12-01

98

Conservative chaotic map as a model of quantum many-body environment

We study the dynamics of the entanglement between two qubits coupled to a common chaotic environment, described by the quantum kicked rotator model. We show that the kicked rotator, which is a single-particle deterministic dynamical system, can reproduce the effects of a pure dephasing many-body bath. Indeed, in the semiclassical limit the interaction with the kicked rotator can be described as a random phase-kick, so that decoherence is induced in the two-qubit system. We also show that our model can efficiently simulate non-Markovian environments.

Davide Rossini; Giuliano Benenti; Giulio Casati

2006-06-08

99

Conservative chaotic map as a model of quantum many-body environment.

We study the dynamics of the entanglement between two qubits coupled to a common chaotic environment, described by the quantum kicked rotator model. We show that the kicked rotator, which is a single-particle deterministic dynamical system, can reproduce the effects of a pure dephasing many-body bath. Indeed, in the semiclassical limit the interaction with the kicked rotator can be described as a random phase kick, so that decoherence is induced in the two-qubit system. We also show that our model can efficiently simulate non-Markovian environments. PMID:17025731

Rossini, Davide; Benenti, Giuliano; Casati, Giulio

2006-09-01

100

Experimental quantum simulations of many-body physics with trapped ions

NASA Astrophysics Data System (ADS)

Direct experimental access to some of the most intriguing quantum phenomena is not granted due to the lack of precise control of the relevant parameters in their naturally intricate environment. Their simulation on conventional computers is impossible, since quantum behaviour arising with superposition states or entanglement is not efficiently translatable into the classical language. However, one could gain deeper insight into complex quantum dynamics by experimentally simulating the quantum behaviour of interest in another quantum system, where the relevant parameters and interactions can be controlled and robust effects detected sufficiently well. Systems of trapped ions provide unique control of both the internal (electronic) and external (motional) degrees of freedom. The mutual Coulomb interaction between the ions allows for large interaction strengths at comparatively large mutual ion distances enabling individual control and readout. Systems of trapped ions therefore exhibit a prominent system in several physical disciplines, for example, quantum information processing or metrology. Here, we will give an overview of different trapping techniques of ions as well as implementations for coherent manipulation of their quantum states and discuss the related theoretical basics. We then report on the experimental and theoretical progress in simulating quantum many-body physics with trapped ions and present current approaches for scaling up to more ions and more-dimensional systems.

Schneider, Ch; Porras, Diego; Schaetz, Tobias

2012-02-01

101

Quantum Many-Body Theory and Mechanisms for Low Energy Nuclear Reaction Processes in Matter

NASA Astrophysics Data System (ADS)

Recently, a theoretical model of Bose-Einstein Condensation (BEC) mechanism has been developed to describe low-energy nuclear reaction in a quantum many-body system confined in a micro/nano scale trap. The BEC mechanism is applied to explain various anomalous results observed recently in experiments involved with low-energy nuclear reaction processes in matter and in acoustic cavitation. Experimental tests of the BEC mechanism are also discussed. In addition to the BEC mechanism, plasma impact fusion (PIF) and particle cavitation fusion (PCF) mechanisms are also described.

Kim, Y. E.

102

Vibrational many-body methods for molecules and extended systems

NASA Astrophysics Data System (ADS)

Vibrational many-body methods for molecules and extended systems have been developed that can account for the effects of anharmonicity in the potential energy surfaces (PESs) on energies and other observable properties. For molecules, we present a general scheme to calculate anharmonic vibrational frequencies and vibrationally-averaged structures along with applications to some key species in hydrocarbon combustion chemistry: HCO+, HCO, HNO, HOO, HOO--, CH3+, and CH3. We propose a hybrid, compact representation of PESs that combines the merits of two existing representations, which are a quartic force field (QFF) and numerical values on a rectilinear grid. We employed a combination of coupled-cluster singles and doubles (CCSD), CCSD with a second-order perturbation correction in the space of triples [CCSD(2)T] and in the space of triples and quadruples [CCSD(2)TQ], and a correlation-consistent basis set series to achieve the complete-correlation, complete-basis-set limits of the potential energy surfaces. The mean absolute deviation between the predicted and the observed frequencies is 11 cm --1. For extended systems, we generalized the formulations of the vibrational self-consistent field (VSCF), vibrational Moller--Plesset perturbation (VMP), and vibrational coupled-cluster (VCC) methods on the basis of a QFF in normal coordinates. We have identified algebraically and eliminated several terms in the formalisms of VSCF that have nonphysical size dependence, leading to compact and strictly size-extensive equations. This size-extensive VSCF method (XVSCF) thus defined has no contributions from cubic force constants and alters only the transition energies of the underlying harmonic-oscillator reference from a subset of quartic force constants. The mean-field potential of XVSCF felt by each mode is shown to be effectively harmonic, making the XVSCF equations subject to a self-consistent analytical solution without a basis-set expansion and matrix diagonalization, which are necessary in VSCF. We implemented the XVSCF method for finite systems, and applied it to polyacenes up to tetracene as well as to a model system of a linear chain of masses interacting through a quartic force field. We showed that the results of XVSCF and VSCF approach each other as the size of the system is increased, implicating the inclusion of unnecessary, nonphysical terms in VSCF. We have also shown that apart from reducing the scaling of the VSCF calculation from quartic to quadratic, XVSCF is nearly three orders of magnitude faster than VSCF implemented with a reduced set of force constants. The second-order VMP and VCC methods based on the XVSCF reference are shown to account for anharmonic effects due to all cubic and quartic force constants in a size-extensive fashion.

Keceli, Murat

103

The many-body Wigner Monte Carlo method for time-dependent ab-initio quantum simulations

NASA Astrophysics Data System (ADS)

The aim of ab-initio approaches is the simulation of many-body quantum systems from the first principles of quantum mechanics. These methods are traditionally based on the many-body Schrödinger equation which represents an incredible mathematical challenge. In this paper, we introduce the many-body Wigner Monte Carlo method in the context of distinguishable particles and in the absence of spin-dependent effects. Despite these restrictions, the method has several advantages. First of all, the Wigner formalism is intuitive, as it is based on the concept of a quasi-distribution function. Secondly, the Monte Carlo numerical approach allows scalability on parallel machines that is practically unachievable by means of other techniques based on finite difference or finite element methods. Finally, this method allows time-dependent ab-initio simulations of strongly correlated quantum systems. In order to validate our many-body Wigner Monte Carlo method, as a case study we simulate a relatively simple system consisting of two particles in several different situations. We first start from two non-interacting free Gaussian wave packets. We, then, proceed with the inclusion of an external potential barrier, and we conclude by simulating two entangled (i.e. correlated) particles. The results show how, in the case of negligible spin-dependent effects, the many-body Wigner Monte Carlo method provides an efficient and reliable tool to study the time-dependent evolution of quantum systems composed of distinguishable particles.

Sellier, J. M.; Dimov, I.

2014-09-01

104

Hidden Quantum Markov Models and non-adaptive read-out of many-body states

Stochastic finite-state generators are compressed descriptions of infinite time series. Alternatively, compressed descriptions are given by quantum finite- state generators [K. Wiesner and J. P. Crutchfield, Physica D 237, 1173 (2008)]. These are based on repeated von Neumann measurements on a quantum dynamical system. Here we generalise the quantum finite-state generators by replacing the von Neumann pro jections by stochastic quantum operations. In this way we assure that any time series with a stochastic compressed description has a compressed quantum description. Moreover, we establish a link between our stochastic generators and the sequential readout of many-body states with translationally-invariant matrix product state representations. As an example, we consider the non-adaptive read-out of 1D cluster states. This is shown to be equivalent to a Hidden Quantum Model with two internal states, providing insight on the inherent complexity of the process. Finally, it is proven by example that the quantum description can have a higher degree of compression than the classical stochastic one.

Alex Monras; Almut Beige; Karoline Wiesner

2012-08-30

105

221B Lecture Notes Many-Body Problems I (Quantum Statistics)

221B Lecture Notes Many-Body Problems I (Quantum Statistics) 1 Quantum Statistics of Identical is for bosons (particles that obey BoseÂEinstein statistics) and -1 for fermions (those that obey Fermi-Dirac statistics). The above argument is actually true only for three spatial dimensions and above. In two

Murayama, Hitoshi

106

Introduction to Integrable Many-Body Systems II

NASA Astrophysics Data System (ADS)

This is the second part of a three-volume introductory course about integrable systems of interacting bodies. The models of interest are quantum spin chains with nearest-neighbor interactions between spin operators, in particular Heisenberg spin-1/2 models. The Ising model in a transverse field, expressible as a quadratic fermion form by using the Jordan-Wigner transformation, is the subject of Sect. 12. The derivation of the coordinate Bethe ansatz for the XXZ Heisenberg chain and the determination of its absolute ground state in various regions of the anisotropy parameter are presented in Sect. 13. The magnetic properties of the ground state are explained in Sect. 14. Sect. 15 concerns excited states and the zero-temperature thermodynamics of the XXZ model. The thermodynamics of the XXZ Heisenberg chain is derived on the basis of the string hypothesis in Sect. 16; the thermodynamic Bethe ansatz equations are analyzed in high-temperature and low-temperature limits. An alternative derivation of the thermodynamics without using strings, leading to a non-linear integral equation determining the free energy, is the subject of Sect. 17. A nontrivial application of the Quantum Inverse Scattering method to the fully anisotropic XYZ Heisenberg chain is described in Sect. 18. Sect. 19 deals with integrable cases of isotropic spin chains with an arbitrary spin.

Šamaj, Ladislav

2010-04-01

107

The nonequilibrium quantum many-body problem as a paradigm for extreme data science

NASA Astrophysics Data System (ADS)

Generating big data pervades much of physics. But some problems, which we call extreme data problems, are too large to be treated within big data science. The nonequilibrium quantum many-body problem on a lattice is just such a problem, where the Hilbert space grows exponentially with system size and rapidly becomes too large to fit on any computer (and can be effectively thought of as an infinite-sized data set). Nevertheless, much progress has been made with computational methods on this problem, which serve as a paradigm for how one can approach and attack extreme data problems. In addition, viewing these physics problems from a computer-science perspective leads to new approaches that can be tried to solve more accurately and for longer times. We review a number of these different ideas here.

Freericks, J. K.; Nikoli?, B. K.; Frieder, O.

2014-12-01

108

Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis

NASA Astrophysics Data System (ADS)

We provide a Mathematica code for decomposing strongly correlated quantum states described by a first-quantized, analytical wave function into many-body Fock states. Within them, the single-particle occupations refer to the subset of Fock-Darwin functions with no nodes. Such states, commonly appearing in two-dimensional systems subjected to gauge fields, were first discussed in the context of quantum Hall physics and are nowadays very relevant in the field of ultracold quantum gases. As important examples, we explicitly apply our decomposition scheme to the prominent Laughlin and Pfaffian states. This allows for easily calculating the overlap between arbitrary states with these highly correlated test states, and thus provides a useful tool to classify correlated quantum systems. Furthermore, we can directly read off the angular momentum distribution of a state from its decomposition. Finally we make use of our code to calculate the normalization factors for Laughlin's famous quasi-particle/quasi-hole excitations, from which we gain insight into the intriguing fractional behavior of these excitations. Program summaryProgram title: Strongdeco Catalogue identifier: AELA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5475 No. of bytes in distributed program, including test data, etc.: 31 071 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which Mathematica can be installed Operating system: Linux, Windows, Mac Classification: 2.9 Nature of problem: Analysis of strongly correlated quantum states. Solution method: The program makes use of the tools developed in Mathematica to deal with multivariate polynomials to decompose analytical strongly correlated states of bosons and fermions into a standard many-body basis. Operations with polynomials, determinants and permanents are the basic tools. Running time: The distributed notebook takes a couple of minutes to run.

Juliá-Díaz, Bruno; Graß, Tobias

2012-03-01

109

The large dielectric constant and small effective mass in a semiconductor allows a description of its electronic states in terms of envelope wavefunctions whose energy, time, and length scales are mesoscopic, i.e., halfway between those of atomic and those of condensed matter systems. This property makes it possible to demonstrate and investigate many quantum mechanical, many-body, and quantum kinetic phenomena with tabletop experiments that would be nearly impossible in other systems. This, along with the ability to custom-design semiconductor nanostructures, makes semiconductors an ideal laboratory for experimental investigations. We present an overview of some of the most exciting results obtained in semiconductors in recent years using the technique of ultrafast nonlinear optical spectrocopy. These results show that Coulomb correlation plays a major role in semiconductors and makes them behave more like a strongly interacting system than like an atomic system. The results provide insights into the physics of strongly interacting systems that are relevant to other condensed matter systems, but not easily accessible in other materials. PMID:10716981

Chemla, Daniel S.; Shah, Jagdeep

2000-01-01

110

Exact numerical methods for a many-body Wannier-Stark system

NASA Astrophysics Data System (ADS)

We present exact methods for the numerical integration of the Wannier-Stark system in a many-body scenario including two Bloch bands. Our ab initio approaches allow for the treatment of a few-body problem with bosonic statistics and strong interparticle interaction. The numerical implementation is based on the Lanczos algorithm for the diagonalization of large, but sparse symmetric Floquet matrices. We analyze the scheme efficiency in terms of the computational time, which is shown to scale polynomially with the size of the system. The numerically computed eigensystem is applied to the analysis of the Floquet Hamiltonian describing our problem. We show that this allows, for instance, for the efficient detection and characterization of avoided crossings and their statistical analysis. We finally compare the efficiency of our Lanczos diagonalization for computing the temporal evolution of our many-body system with an explicit fourth order Runge-Kutta integration. Both implementations heavily exploit efficient matrix-vector multiplication schemes. Our results should permit an extrapolation of the applicability of exact methods to increasing sizes of generic many-body quantum problems with bosonic statistics.

Parra-Murillo, Carlos A.; Madroñero, Javier; Wimberger, Sandro

2015-01-01

111

Synergetic approach to many-body problems: From scattering charge transfer to arrays of quantum dots

NASA Astrophysics Data System (ADS)

We call synergetic an approach in which the use of analytical and numerical methods interweave, the results naturally complimenting each other. Analytical results improve numerical approximations and vice versa. We apply this philosophy to two particularly interesting many-body problems involving charge transfer. First, we consider charge transfer between alkali atoms and metallic scattering surfaces. The question is this: what is the final charge state of an atom scattered off a metal surface as a function of its initial state and other experimental parameters, such as atom's velocity and surface work function? We use a generalized time-dependent Newns-Anderson Hamiltonian which includes electron spin, multiple atomic orbitals with image shifted levels, intra-atomic Coulomb repulsion, and resonant exchange. A variational electronic many-body wave function solves the dynamical problem. The wave function consists of sectors with either zero, one, or two particle-hole pairs: the wave function ansatz is equivalent to a 1/N expansion (we set N = 2 for the physical case of electrons). The equations of motion are integrated numerically without further approximation. The solution shows loss-of-memory--the final charge state is independent of the initial one--in agreement with theoretical and experimental expectations. We develop a picture of probability flow between different sectors of the Hilbert space, and show that retaining sectors up to the second order in 1/N is sufficient for an accurate description of charge transfer. As further tests of the theory, we reproduce the experimentally observed peak in the excited neutral Li(2p) occupancy at intermediate work functions starting from different initial conditions. We include Auger processes by adding two-body interaction terms to the many-body Hamiltonian. Preliminary experimental evidence for an upturn in the Li(2p) occupancy at the lowest work-functions may be explained by Auger transitions. Next, we turn our attention to a different class of physical systems which involve charge transfer, namely arrays of semiconducting quantum dots. The physics of these structures is rich, as novel phases are attainable. We find conditions under which enhanced symmetry characterized by the group SU(4) occurs in isolated semiconducting quantum dots. A Hubbard model then describes a pillar array of coupled dots and at half-filling it can be mapped onto a SU(4) spin chain, which has a reach phase diagram. The chain spontaneously dimerizes which we confirm numerically by using a recent numerical technique--the Density Matrix Renormalization Group (DMRG). We suggest further improvements to the method. Our DMRG analysis also shows that this state is robust to perturbations which break SU(4) symmetry. We propose ways to experimentally verify the phases.

Onufriev, Alexey Vlad

112

Classical Loschmidt echo in chaotic many-body systems

General theoretic approach to classical Loschmidt echoes in chaotic systems with many degrees of freedom is developed. For perturbations which affect essentially all degrees of freedom we find a doubly exponential decay with the rate determined by the largest Lyapunov exponent. The scaling of the decay rate on the perturbation strength depends on whether the initial phase-space density is continuous or not.

Gregor Veble; Tomaz Prosen

2005-03-21

113

The structure of many-body entanglement

In this thesis we discuss the general spatial structure of quantum entanglement in local many-body systems. A central theme is the organizing power of the renormalization group for thinking about many-body entanglement. ...

Swingle, Brian Gordon

2011-01-01

114

Many-body quantum dynamics of polarisation squeezing in optical fibre

We report new experiments that test quantum dynamical predictions of polarization squeezing for ultrashort photonic pulses in a birefringent fibre, including all relevant dissipative effects. This exponentially complex many-body problem is solved by means of a stochastic phase-space method. The squeezing is calculated and compared to experimental data, resulting in excellent quantitative agreement. From the simulations, we identify the physical limits to quantum noise reduction in optical fibres. The research represents a significant experimental test of first-principles time-domain quantum dynamics in a one-dimensional interacting Bose gas coupled to dissipative reservoirs.

J. F. Corney; P. D. Drummond; J. Heersink; V. Josse; G. Leuchs; U. L. Andersen

2006-03-30

115

First-principles path-integral renormalization-group method for Coulombic many-body systems

An approach for obtaining the ground state of Coulombic many-body systems is presented. This approach is based on the path-integral renormalization-group method with nonorthogonal Slater determinants, is free of the negative sign problem, and can handle higher dimensional systems with consideration of the correlation effect. Furthermore, it can be easily extended to the multicomponent quantum systems that contain more than two kinds of quantum particles. According to our results obtained with the present approach, it achieves the same accuracy as the variational Monte Carlo method with a few Slater determinants and enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation.

Kojo, Masashi; Hirose, Kikuji [Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

2009-10-15

116

Ground-state entanglement in a system with many-body interactions

Entanglement refers to the inability of many-body quantum mechanical systems to be separated into independent subsystems. This has been well investigated in systems consisting of two entangled subsystems. In larger systems, more complex types of entanglement exist. In a system consisting of three subsystems (e.g., qubits), it is possible that all three subsystems are entangled with each other in a way that cannot be reduced to bipartite entanglement, and it is known that two different, inequivalent forms of tripartite entanglement exist such as the GHZ and W states (GHZ denotes 'Greenberger-Horne-Zeilinger'). Here, we investigate a particularly interesting system with competing one-, two-, and three-body interactions. Its ground state can be a product state, a GHZ state, or a W state, depending on the type and strength of the spin-spin couplings. By varying an external control parameter, the system can be made to undergo quantum transitions between the various ground-state-entanglement phases. We implement the system in an NMR quantum simulator and use adiabatic evolution of the effective Hamiltonian to drive the system through the quantum transitions. In the experimental and numerical simulations, we check the suitability of different observables for making the quantum transitions visible and for characterizing the different phases.

Peng Xinhua [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Fakultaet Physik, Technische Universitaet Dortmund, D-44221 Dortmund (Germany); Zhang Jingfu; Suter, Dieter [Fakultaet Physik, Technische Universitaet Dortmund, D-44221 Dortmund (Germany); Du Jiangfeng [Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2010-04-15

117

INTRODUCTION: Many-Body Theory of Atomic Systems: Proceedings of the Nobel Symposium 46

NASA Astrophysics Data System (ADS)

A Nobel Symposium provides an excellent opportunity to bring together a group of prominent scientists for a stimulating meeting. The Nobel Symposia are very small meetings by invitation only and the number of key participants is usually in the range 20-40. These symposia are organized through a special Nobel Symposium Committee after proposals from individuals. They have been made possible through a major grant from the Tri-Centennial Fund of the Bank of Sweden. Our first ideas to arrange a Nobel Symposium on many-body theory of atomic systems came up more than two years ago. It was quite obvious to us that a major break-through was happening in this field. Very accurate schemes have been available for some time for studying the static properties of small closed-shell atomic systems. By "atomic" systems we understand here atoms as well as free molecules, which can be treated by the same formalism, although the technical approaches might be quite different. The conceptual and computational developments in recent years, however, have made it possible to apply the many-body formalism also to heavier systems. Although no rigorous relativistic many-body theory yet exists, there seems to be a general agreement about the way relativistic calculations should be performed on normal atoms and molecules. Schemes based on relativistic perturbation theory as well as on relativistic multi- configurational Hartree-Fock are now in operation and a rapid development is expected in this area. Another field of atomic theory, where significant progress has been made recently, is in the application of many-body formalism to open-shell systems. General schemes, applicable to systems with one or several open shells, are now available, which will make it possible to apply many-body formalism to a much larger group of atomic systems and, in particular, to systems of more physical interest, A number of atomic properties - not only the correlation energy - can then be compared with the corresponding experimental results, which will eventually lead to a better understanding of the behaviour of many-electron systems and possibly also of many-fermion systems in general. In addition to the static properties of atomic systems there is nowadays a great interest in the dynamics of the excitation process, which is of fundamental importance for our understanding of photoelectron and photoabsorption spectra. The experimental data being produced in this field are enormous and many intricate physical problems appear, which can only be understood by considering the atom as a fully interacting many-body system. All the new developments mentioned here have opened entirely new areas in atomic many-body theory, and we are evidently just at the verge of a very interesting period of rapid progress. It is quite evident that we could have limited the Symposium to atomic problems of the type described here. However, related problems appear in atoms bound in solids and in atoms/molecules bound to solid surfaces. Therefore, we proposed to include also some aspects of these fields in our program, which brought together scientists with different backgrounds, such as atomic and molecular physicists, theoretical chemists, solid state and surface physicists as well as nuclear physicists and quantum- liquid experts. The Symposium then got a distinctive inter-disciplinary character at the same time as it was concentrated on the specific atomic many-body problem. The response to our invitations to the Nobel Symposium was overwhelming. Many other participants were suggested and we extended the number of participants as far as we could. With the wide scope of the Symposium program and small format with regard to number, only a few representatives of each major area could be invited. The symposium gave an excellent picture how the various areas are developing. The various methods to treat the many-body problem were thoroughly discussed and many new results were reported. The relativistic many-body problem offers many challenging problems as does the open-shell many-body fo

Lindgren, Ingvar; Lundqvist, Stig

1980-01-01

118

Radiative heat transfer in anisotropic many-body systems: Tuning and enhancement

A general formalism for calculating the radiative heat transfer in many body systems with anisotropic component is presented. Our scheme extends the theory of radiative heat transfer in isotropic many body systems to anisotropic cases. In addition, the radiative heating of the particles by the thermal bath is taken into account in our formula. It is shown that the radiative heat exchange (HE) between anisotropic particles and their radiative cooling/heating (RCH) could be enhanced several order of magnitude than that of isotropic particles. Furthermore, we demonstrate that both the HE and RCH can be tuned dramatically by particles relative orientation in many body systems.

Nikbakht, Moladad, E-mail: mnik@znu.ac.ir [Department of Physics, Faculty of Sciences, University of Zanjan, Zanjan 45371-38791 (Iran, Islamic Republic of)

2014-09-07

119

Radiative heat transfer in anisotropic many-body systems: Tuning and enhancement

NASA Astrophysics Data System (ADS)

A general formalism for calculating the radiative heat transfer in many body systems with anisotropic component is presented. Our scheme extends the theory of radiative heat transfer in isotropic many body systems to anisotropic cases. In addition, the radiative heating of the particles by the thermal bath is taken into account in our formula. It is shown that the radiative heat exchange (HE) between anisotropic particles and their radiative cooling/heating (RCH) could be enhanced several order of magnitude than that of isotropic particles. Furthermore, we demonstrate that both the HE and RCH can be tuned dramatically by particles relative orientation in many body systems.

Nikbakht, Moladad

2014-09-01

120

Cavity quantum electrodynamics with many-body states of a two-dimensional electron gas.

Light-matter interaction has played a central role in understanding as well as engineering new states of matter. Reversible coupling of excitons and photons enabled groundbreaking results in condensation and superfluidity of nonequilibrium quasiparticles with a photonic component. We investigated such cavity-polaritons in the presence of a high-mobility two-dimensional electron gas, exhibiting strongly correlated phases. When the cavity was on resonance with the Fermi level, we observed previously unknown many-body physics associated with a dynamical hole-scattering potential. In finite magnetic fields, polaritons show distinct signatures of integer and fractional quantum Hall ground states. Our results lay the groundwork for probing nonequilibrium dynamics of quantum Hall states and exploiting the electron density dependence of polariton splitting so as to obtain ultrastrong optical nonlinearities. PMID:25278508

Smolka, Stephan; Wuester, Wolf; Haupt, Florian; Faelt, Stefan; Wegscheider, Werner; Imamoglu, Ataç

2014-10-17

121

Macroscopic quantum many-body tunneling of attractive Bose-Einstein condensate in anharmonic trap

NASA Astrophysics Data System (ADS)

We study the stability of attractive atomic Bose-Einstein condensate and the macroscopic quantum many-body tunneling (MQT) in the anharmonic trap. We utilize correlated two-body basis function which keeps all possible two-body correlations. The anharmonic parameter ( ?) is slowly tuned from harmonic to anharmonic. For each choice of ? the many-body equation is solved adiabatically. The use of the van der Waals interaction gives realistic picture which substantially differs from the mean-field results. For weak anharmonicity, we observe that the attractive condensate gains stability with larger number of bosons compared to that in the pure harmonic trap. The transition from resonances to bound states with weak anharmonicity also differs significantly from the earlier study of [N. Moiseyev, L.D. Carr, B.A. Malomed, Y.B. Band, J. Phys. B 37, L193 (2004)]. We also study the tunneling of the metastable condensate very close to the critical number N cr of collapse and observe that near collapse the MQT is the dominant decay mechanism compared to the two-body and three-body loss rate. We also observe the power law behavior in MQT near the critical point. The results for pure harmonic trap are in agreement with mean-field results. However, we fail to retrieve the power law behavior in anharmonic trap although MQT is still the dominant decay mechanism.

Haldar, Sudip Kumar; Debnath, Pankaj Kumar; Chakrabarti, Barnali

2013-09-01

122

NASA Astrophysics Data System (ADS)

The current worldwide effort to use cold atoms in optical lattices to simulate strongly correlated electron systems, referred to as Quantum Simulation, is a highly ambitious program in cold atom physics. Its success requires reaching temperatures far below nano Kelvin. Cooling to such low temperatures is the greatest challenge confronting this program. At the same time, to realize the full power of Quantum Simulation, one needs to find ways to deduce the equilibrium properties of homogenous systems from the data of trapped gases. In this talk, we shall discuss methods to achieve these goals.

Ho, Tin-Lun

2010-03-01

123

Many-body Effects in a Laterally Inhomogeneous Semiconductor Quantum Well

NASA Technical Reports Server (NTRS)

Many body effects on conduction and diffusion of electrons and holes in a semiconductor quantum well are studied using a microscopic theory. The roles played by the screened Hartree-Fock (SHE) terms and the scattering terms are examined. It is found that the electron and hole conductivities depend only on the scattering terms, while the two-component electron-hole diffusion coefficients depend on both the SHE part and the scattering part. We show that, in the limit of the ambipolax diffusion approximation, however, the diffusion coefficients for carrier density and temperature are independent of electron-hole scattering. In particular, we found that the SHE terms lead to a reduction of density-diffusion coefficients and an increase in temperature-diffusion coefficients. Such a reduction or increase is explained in terms of a density-and temperature dependent energy landscape created by the bandgap renormalization.

Ning, Cun-Zheng; Li, Jian-Zhong; Biegel, Bryan A. (Technical Monitor)

2002-01-01

124

We address the question on how weak perturbations, that are quite ineffective in small many-body systems, can lead to decoherence and hence to irreversibility when they proliferate as the system size increases. This question is at the heart of solid state NMR. There, an initially local polarization spreads all over due to spin-spin interactions that conserve the total spin projection, leading to an equilibration of the polarization. In principle, this quantum dynamics can be reversed by changing the sign of the Hamiltonian. However, the reversal is usually perturbed by non reversible interactions that act as a decoherence source. The fraction of the local excitation recovered defines the Loschmidt echo (LE), here evaluated in a series of closed $N$ spin systems with all-to-all interactions. The most remarkable regime of the LE decay occurs when the perturbation induces proliferated effective interactions. We show that if this perturbation exceeds some lower bound, the decay is ruled by an effective Fermi golden rule (FGR). Such a lower bound shrinks as $ N $ increases, becoming the leading mechanism for LE decay in the thermodynamic limit. Once the polarization stayed equilibrated longer than the FGR time, it remains equilibrated in spite of the reversal procedure.

Pablo R. Zangara; Denise Bendersky; Horacio M. Pastawski

2015-02-22

125

Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-level alignment at hybrid interfaces, using quantum Monte Carlo calculations to include many-body effects parameters. Here we present a scheme based on the quantum Monte Carlo QMC method18 to obtain accurate energy-lev

Wu, Zhigang

126

Renormalization of myoglobin-ligand binding energetics by quantum many-body effects.

We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, namely a linear-scaling density functional theory (DFT) approach wherein the treatment of localized iron 3d electrons is further refined using dynamical mean-field theory. This combination of methods explicitly accounts for dynamical and multireference quantum physics, such as valence and spin fluctuations, of the 3d electrons, while treating a significant proportion of the protein (more than 1,000 atoms) with DFT. The computed electronic structure of the myoglobin complexes and the nature of the Fe-O2 bonding are validated against experimental spectroscopic observables. We elucidate and solve a long-standing problem related to the quantum-mechanical description of the respiration process, namely that DFT calculations predict a strong imbalance between O2 and CO binding, favoring the latter to an unphysically large extent. We show that the explicit inclusion of the many-body effects induced by the Hund's coupling mechanism results in the correct prediction of similar binding energies for oxy- and carbonmonoxymyoglobin. PMID:24717844

Weber, Cédric; Cole, Daniel J; O'Regan, David D; Payne, Mike C

2014-04-22

127

Renormalization of myoglobin–ligand binding energetics by quantum many-body effects

We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, namely a linear-scaling density functional theory (DFT) approach wherein the treatment of localized iron 3d electrons is further refined using dynamical mean-field theory. This combination of methods explicitly accounts for dynamical and multireference quantum physics, such as valence and spin fluctuations, of the 3d electrons, while treating a significant proportion of the protein (more than 1,000 atoms) with DFT. The computed electronic structure of the myoglobin complexes and the nature of the Fe–O2 bonding are validated against experimental spectroscopic observables. We elucidate and solve a long-standing problem related to the quantum-mechanical description of the respiration process, namely that DFT calculations predict a strong imbalance between O2 and CO binding, favoring the latter to an unphysically large extent. We show that the explicit inclusion of the many-body effects induced by the Hund’s coupling mechanism results in the correct prediction of similar binding energies for oxy- and carbonmonoxymyoglobin. PMID:24717844

Weber, Cédric; Cole, Daniel J.; O’Regan, David D.; Payne, Mike C.

2014-01-01

128

Object oriented .Net Engine for the Simulation of Three-Dimensional, Relativistic Many-Body Systems

We present an original engine, developed in Microsoft C#.NET, for implementing the simulation of three-dimensional, relativistic many-body systems. Based on the object oriented programming principles and a modern technology, the main goal was to provide both flexibility and a framework which enforces a proper way to reuse and customize the code.

Grossu, I V; Jipa, Al; Felea, D; Bordeianu, C C

2008-01-01

129

Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications

Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water present electrostatically embedded two-body and three-body expansions for calculating the energies that including environmental point charges can lower the errors in the electrostatically embedded pairwise

Truhlar, Donald G

130

The Lanczos algorithm for extensive many-body systems in the thermodynamic limit

We establish rigorously the scaling properties of the Lanczos process applied to an arbitrary extensive many-body system which is carried to convergence n-->? and the thermodynamic limit N-->? taken. In this limit the solution for the limiting Lanczos coefficients are found exactly and generally through two equivalent sets of equations, given initial knowledge of the exact cumulant generating function. The

N. S. Witte; D. Bessis

1999-01-01

131

NASA Astrophysics Data System (ADS)

In this paper we present a new version of the Chaos Many-Body Engine C# application (Grossu et al. 2012 [1]). In order to benefit from the latest technological advantages, we migrated the application from .Net Framework 2.0 to .Net Framework 4.0. New tools were implemented also. Trying to estimate the particle interactions dependence on initial conditions, we considered a new distance, which takes into account only the structural differences between two systems. We used this distance for implementing the “Structural Lyapunov” function. We propose also a new precision test based on temporal reversed simulations. New version program summaryProgram title: Chaos Many-Body Engine v03 Catalogue identifier: AEGH_v3_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEGH_v3_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 214429 No. of bytes in distributed program, including test data, etc.: 9512380 Distribution format: tar.gz Programming language: Visual C# .Net 2010 Computer: PC Operating system: .Net Framework 4.0 running on MS Windows RAM: 128 MB Classification: 24.60.Lz, 05.45.a Catalogue identifier of previous version: AEGH_v2_0 Journal reference of previous version: Computer Physics Communications 183 (2012) 1055-1059 Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm. Implementation of temporal reversed simulation precision test, and “Structural Lyapunov” function. In order to benefit from the advantages involved in the latest technologies (e.g. LINQ Queries [2]), Chaos Many-Body Engine was migrated from .Net Framework 2.0 to .Net Framework 4.0. In addition to existing energy conservation assessment [3], we propose also a reverse simulation precision test. Thus, for a regular simulation, we considered the corresponding reversed process: initial time equals the end time of regular simulation, and temporal resolution dt<0. One can compare the initial state of the regular system, and the final state of the reversed one (t=0) using, for example, the phase-space distance. Trying to measure particle interactions dependence on initial conditions, we considered the following distance, which takes into account only the structure differences between two many-body systems with reactions: ds=?{?i=1n where Ni1 represents the number of particles of type “i” from the first system, and Ni2 is the corresponding number for the second system. We sum over all particle types. Inspired by the Lyapunov Exponent method [4], we implemented the evolution in time of the “Structural Lyapunov” function, for two identical systems with slightly different initial conditions: Ls(t)=ln ds(t)/ds(0). Migration from .Net Framework 2.0 to .Net Framework 4.0 Reverse simulation precision test “Structural Lyapunov” function. In [1] we applied the Chaos Many-Body Engine to some nuclear relativistic collisions at 4.5 A GeV/c (SKM 200 collaboration [5,6]). We considered also some first tests on He+He head-on collisions at 1 A TeV/c (choose the Simulation?Collision menu, and set the appropriate parameters Fig. 1). However, in this case, more complex reaction schemas should be considered. Further investigation on higher energies is currently in progress. He+He central, head-on collision at 1 A TeV/c (example of use). Restrictions: The reverse simulation precision test does not apply for: systems with reactions, parallel simulations, and Monte Carlo simulations. Running time: quadratic complexity.

Grossu, I. V.; Besliu, C.; Jipa, Al.; Felea, D.; Esanu, T.; Stan, E.; Bordeianu, C. C.

2013-04-01

132

The many-body expansion of the interaction potential between atoms and molecules is analyzed in detail for different types of interactions involving up to seven atoms. Elementary clusters of Ar, Na, Si, and, in particular, Au are studied, using first-principles wave-function- and density-functional-based methods to obtain the individual n-body contributions to the interaction energies. With increasing atom number the many-body expansion converges rapidly only for long-range weak interactions. Large oscillatory behavior is observed for other types of interactions. This is consistent with the fact that Au clusters up to a certain size prefer planar structures over the more compact three-dimensional Lennard-Jones-type structures. Several Au model potentials and semiempirical PM6 theory are investigated for their ability to reproduce the quantum results. We further investigate small water clusters as prototypes of hydrogen-bonded systems. Here, the many-body expansion converges rapidly, reflecting the localized nature of the hydrogen bond and justifying the use of two-body potentials to describe water-water interactions. The question of whether electron correlation contributions can be successfully modeled by a many-body interaction potential is also addressed.

Hermann, Andreas; Krawczyk, Robert P.; Lein, Matthias; Schwerdtfeger, Peter; Hamilton, I. P.; Stewart, James J. P. [Centre of Theoretical Chemistry, Physics and Institute of Advanced Studies and Institute of Fundamental Sciences, Massey University (Auckland Campus), Private Bag 102904, North Shore MSC, Auckland (New Zealand); Department of Chemistry, Wilfrid Laurier University, Waterloo, N2L 3C5 (Canada); Stewart Computational Chemistry, 15210 Paddington Circle, Colorado Springs, Colorado, CO 80921 (United States)

2007-07-15

133

Exact numerical methods for a many-body Wannier Stark system

We present exact methods for the numerical integration of the Wannier-Stark system in a many-body scenario including two Bloch bands. Our ab initio approaches allow for the treatment of a few-body problem with bosonic statistics and strong interparticle interaction. The numerical implementation is based on the Lanczos algorithm for the diagonalization of large, but sparse symmetric Floquet matrices. We analyze the scheme efficiency in terms of the computational time, which is shown to scale polynomially with the size of the system. The numerically computed eigensystem is applied to the analysis of the Floquet Hamiltonian describing our problem. We show that this allows, for instance, for the efficient detection and characterization of avoided crossings and their statistical analysis. We finally compare the efficiency of our Lanczos diagonalization for computing the temporal evolution of our many-body system with an explicit fourth order Runge-Kutta integration. Both implementations heavily exploit efficient m...

Parra-Murillo, Carlos A; Wimberger, Sandro

2015-01-01

134

Code C# for chaos analysis of relativistic many-body systems with reactions

NASA Astrophysics Data System (ADS)

In this work we present a reaction module for “Chaos Many-Body Engine” (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the “Clusterization Map”, as a new intuitive analysis method of many-body systems. For exemplification, we implemented a numerical toy-model for nuclear relativistic collisions at 4.5 A GeV/c (the SKM200 Collaboration). An encouraging agreement with experimental data was obtained for momentum, energy, rapidity, and angular ? distributions. Catalogue identifier: AEGH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 184 628 No. of bytes in distributed program, including test data, etc.: 7 905 425 Distribution format: tar.gz Programming language: Visual C#.NET 2005 Computer: PC Operating system: Net Framework 2.0 running on MS Windows Has the code been vectorized or parallelized?: Each many-body system is simulated on a separate execution thread. One processor used for each many-body system. RAM: 128 Megabytes Classification: 6.2, 6.5 Catalogue identifier of previous version: AEGH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1464 External routines: Net Framework 2.0 Library Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems with reactions. Object oriented solution, easy to reuse, extend and customize, in any development environment which accepts .Net assemblies or COM components. Treatment of two particles reactions and decays. For each particle, calculation of the time measured in the particle reference frame, according to the instantaneous velocity. Possibility to dynamically add particle properties (spin, isospin, etc.), and reactions/decays, using a specific XML input file. Basic support for Monte Carlo simulations. Implementation of: Lyapunov exponent, “fragmentation level”, “average system radius”, “virial coefficient”, “clusterization map”, and energy conservation precision test. As an example of use, we implemented a toy-model for nuclear relativistic collisions at 4.5 A GeV/c. Reasons for new version: Following our goal of applying chaos theory to nuclear relativistic collisions at 4.5 A GeV/c, we developed a reaction module integrated with the Chaos Many-Body Engine. In the previous version, inheriting the Particle class was the only possibility of implementing more particle properties (spin, isospin, and so on). In the new version, particle properties can be dynamically added using a dictionary object. The application was improved in order to calculate the time measured in the own reference frame of each particle. two particles reactions: a+b?c+d, decays: a?c+d, stimulated decays, more complicated schemas, implemented as various combinations of previous reactions. Following our goal of creating a flexible application, the reactions list, including the corresponding properties (cross sections, particles lifetime, etc.), could be supplied as parameter, using a specific XML configuration file. The simulation output files were modified for systems with reactions, assuring also the backward compatibility. We propose the “Clusterization Map” as a new investigation method of many-body systems. The multi-dimensional Lyapunov Exponent was adapted in order to be used for systems with variable structure. Basic support for Monte Carlo simulations was also added. Additiona

Grossu, I. V.; Besliu, C.; Jipa, Al.; Stan, E.; Esanu, T.; Felea, D.; Bordeianu, C. C.

2012-04-01

135

Cavity-assisted energy relaxation for quantum many-body simulations

NASA Astrophysics Data System (ADS)

We propose an energy relaxation mechanism whereby strongly correlated spin systems decay into their ground states. The relaxation is driven by cavity quantum electrodynamics interaction and the decay of cavity photons. It is shown that by applying broadband driving fields, strongly correlated systems can be cooled regardless of the specific details of their energy level profiles. The scheme would also have significant implications in other contexts, such as adiabatic quantum computation and steady-state entanglement in dissipative systems.

Cho, Jaeyoon; Bose, Sougato; Kim, M. S.

2015-02-01

136

Code C# for chaos analysis of relativistic many-body systems with reactions

In this work we present a reactions module for "Chaos Many-Body Engine" (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross-section, particles lifetime etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincare section, we propose also the "Clusterization map", as a new intuitive analysis method of many-body systems. For exemplification, we implemented a numerical toy-model for nuclear relativistic collisions at 4.5 A GeV/c (the SKM200 collaboration). An encouraging agreement with experimental data was obtained for momentum, energy, rapidity, and angular {\\pi}- distributions.

Grossu, I V; Jipa, Al; Stan, E; Esanu, T; Felea, D; Bordeianu, C C

2010-01-01

137

Extraction of an effective pair potential from a many body potential of metallic systems

NASA Astrophysics Data System (ADS)

For metallic systems most reliable descriptions are given by many body potentials and on the other hand most of successful liquid theories are formulated based upon pair potentials. The effective state-dependent pair intermolecular potential can be calculated as a solution of the modified hypernetted chain (MHNC) integral equation. With an initial guess of the bridge function in this equation either from the conventional MHNC approximation [1] or from the Fundamental Measure Density Functional Theory [2] several iterations with simulations lead to converged pair potential [3]. In this report we use the both methods to extract an effective pair potential from an embedded atom model potential of aluminum and a tight-binding many-body potential of silicon [4]. Using the effective pair potential the calculated phase diagrams agrees well with the phase diagram from direct simulations via the original many body potential. 1. Y.Rosenfeld and N.W.Ashcroft, Phys.Rev.A 20, 1208(1979). 2. Y.Rosenfeld and G.Kahl, J.Phys.:Condens.Matter 9, L89(1997). 3. L.Reatto, D.Levesque and J.J.Weis, Phys.Rev.A, 33, 3451(1986). 4. C.Z.Wang, B.C.Pan, and K.M.Ho, J. Phys. : Condens. Matter 11, 2043 (1999).

Song, Xueyu

2005-03-01

138

Chaos in fermionic many-body systems and the metal-insulator transition

We show that finite Fermi systems governed by a mean field and a few-body interaction generically possess spectral fluctuations of the Wigner-Dyson type and are, thus, chaotic. Our argument is based on an analogy to the metal-insulator transition. We construct a sparse random-matrix ensemble ScE that mimics that transition. Our claim then follows from the fact that the generic random-matrix ensemble modeling a fermionic interacting many-body system is much less sparse than ScE.

T. Papenbrock; Z. Pluhar; J. Tithof; H. A. Weidenmueller

2011-02-07

139

Spectral features of a many-body-localized system weakly coupled to a bath

NASA Astrophysics Data System (ADS)

We study many-body-localized (MBL) systems that are weakly coupled to thermalizing environments, focusing on the spectral functions of local operators. These spectral functions carry signatures of localization even away from the limit of perfectly isolated systems. We find that, in the limit of vanishing coupling to a bath, MBL systems come in two varieties, with either discrete or continuous local spectra. Both varieties of MBL systems exhibit a "soft gap" at zero frequency in the spatially averaged spectral functions of local operators, which serves as a diagnostic for localization. We estimate the degree to which coupling to a bath broadens these spectral features, and we find that some characteristics of incipient localization survive as long as the system-bath coupling is much weaker than the characteristic energy scales of the system. We discuss the crossover to localization that occurs as the coupling to the external bath is tuned to zero. Since perfect isolation is impossible, we expect the ideas discussed in this paper to be relevant for experiments on many-body localization.

Nandkishore, Rahul; Gopalakrishnan, Sarang; Huse, David A.

2014-08-01

140

Quantum many-body models with cold atoms coupled to photonic crystals

Using cold atoms to simulate strongly interacting quantum systems represents an exciting frontier of physics. However, achieving tunable, coherent long-range interactions between atoms is an outstanding challenge, which currently leaves a large class of models inaccessible to quantum simulation. Here, we propose a solution exploiting the powerful new platform of cold atoms trapped near nano-photonic systems. We show that the dielectric contrast of an atom trapped near a photonic crystal can seed a localized cavity mode around the atomic position. In a dynamic form of "all-atomic" cavity QED, the length of these cavity modes can be tuned, and atoms separated by the order of the effective cavity length can interact coherently with each other. Considering realistic conditions such as fabrication disorder and photon losses, coherent long-range potentials or spin interactions can be dominant in the system over length scales up to hundreds of wavelengths.

J. S. Douglas; H. Habibian; C. -L. Hung; A. V. Gorshkov; H. J. Kimble; D. E. Chang

2015-02-28

141

Long-Range Interacting Many-Body Systems with Alkaline-Earth-Metal Atoms

NASA Astrophysics Data System (ADS)

Alkaline-earth-metal atoms can exhibit long-range dipolar interactions, which are generated via the coherent exchange of photons on the P03-D13 transition of the triplet manifold. In the case of bosonic strontium, which we discuss here, this transition has a wavelength of 2.6?m and a dipole moment of 4.03 D, and there exists a magic wavelength permitting the creation of optical lattices that are identical for the states P03 and D13. This interaction enables the realization and study of mixtures of hard-core lattice bosons featuring long-range hopping, with tunable disorder and anisotropy. We derive the many-body master equation, investigate the dynamics of excitation transport, and analyze spectroscopic signatures stemming from coherent long-range interactions and collective dissipation. Our results show that lattice gases of alkaline-earth-metal atoms permit the creation of long-lived collective atomic states and constitute a simple and versatile platform for the exploration of many-body systems with long-range interactions. As such, they represent an alternative to current related efforts employing Rydberg gases, atoms with large magnetic moment, or polar molecules.

Olmos, B.; Yu, D.; Singh, Y.; Schreck, F.; Bongs, K.; Lesanovsky, I.

2013-04-01

142

Quantum many-body theory for qubit decoherence in a finite-size spin bath

We develop a cluster-correlation expansion theory for the many-body dynamics of a finite-size spin bath in a time scale relevant to the decoherence of a center spin or qubit embedded in the bath. By introducing the cluster correlation as the evolution of a group of bath spins divided by the correlations of all the subgroups, the propagator of the whole bath is factorized into the product of all possible cluster correlations. Each cluster-correlation term accounts for the authentic (non-factorizable) collective excitations within that group. Convergent results can be obtained by truncating the cluster-correlation expansion up to a certain cluster size, as verified in an exactly solvable spin-chain model.

Yang Wen; Liu Renbao [Department of Physics, Chinese University of Hong Kong, Shatin, N. T., Hong Kong (China)

2008-11-07

143

Many-body Green's-function calculations on the electronic excited states of extended systems

NASA Astrophysics Data System (ADS)

Electron correlation corrections to the excitation energy of the lowest-lying singlet exciton state of polyethylene are evaluated with the aid of the quasiparticle energies obtained from second-order many-body perturbation theory and from the second-order inverse Dyson equation. A simple approximation is proposed to avoid the evaluation of the quasiparticle energies for high- and low-lying energy bands, which is particularly problematic in extended-system calculations. The inclusion of both the electron correlation effects and diffuse basis functions is important for the proper description of the exciton state. The electron correlation corrections calculated by this method appear to be too large, probably due to the neglect of the screening effects of the quasiparticle interactions.

Hirata, So; Bartlett, Rodney J.

2000-05-01

144

The gain-spontaneous recombination characteristics have been calculated for a 40 A? Zn0.8Cd0.2Se-ZnSe quantum well including many body effects. We examine the effect of the inclusion of the Coulomb enhancement on the gain spectra and the gain-current relationship. We show that, in the absence of the Coulomb enhancement, the threshold current density of a 340 ?m 40 A? Zn0.8Cd0.2Se-ZnSe quantum well

P. Rees; F. P. Logue; J. F. Donegan; J. F. Heffernan; C. Jordan; J. Hegarty

1995-01-01

145

Efficient calculation of many-body induced electrostatics in molecular systems

Potential energy functions including many-body polarization are in widespread use in simulations of aqueous and biological systems, metal-organics, molecular clusters, and other systems where electronically induced redistribution of charge among local atomic sites is of importance. The polarization interactions, treated here via the methods of Thole and Applequist, while long-ranged, can be computed for moderate-sized periodic systems with extremely high accuracy by extending Ewald summation to the induced fields as demonstrated by Nymand, Sala, and others. These full Ewald polarization calculations, however, are expensive and often limited to very small systems, particularly in Monte Carlo simulations, which may require energy evaluation over several hundred-thousand configurations. For such situations, it shall be shown that sufficiently accurate computation of the polarization energy can be produced in a fraction of the central processing unit (CPU) time by neglecting the long-range extension to the induced fields while applying the long-range treatments of Ewald or Wolf to the static fields; these methods, denoted Ewald E-Static and Wolf E-Static (WES), respectively, provide an effective means to obtain polarization energies for intermediate and large systems including those with several thousand polarizable sites in a fraction of the CPU time. Furthermore, we shall demonstrate a means to optimize the damping for WES calculations via extrapolation from smaller trial systems.

McLaughlin, Keith, E-mail: kmclaugh@mail.usf.edu; Cioce, Christian R.; Pham, Tony; Space, Brian [Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620 (United States)] [Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620 (United States); Belof, Jonathan L. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)] [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)

2013-11-14

146

Stochastic many-body problems in ecology, evolution, neuroscience, and systems biology

NASA Astrophysics Data System (ADS)

Using the tools of many-body theory, I analyze problems in four different areas of biology dominated by strong fluctuations: The evolutionary history of the genetic code, spatiotemporal pattern formation in ecology, spatiotemporal pattern formation in neuroscience and the robustness of a model circadian rhythm circuit in systems biology. In the first two research chapters, I demonstrate that the genetic code is extremely optimal (in the sense that it manages the effects of point mutations or mistranslations efficiently), more than an order of magnitude beyond what was previously thought. I further show that the structure of the genetic code implies that early proteins were probably only loosely defined. Both the nature of early proteins and the extreme optimality of the genetic code are interpreted in light of recent theory [1] as evidence that the evolution of the genetic code was driven by evolutionary dynamics that were dominated by horizontal gene transfer. I then explore the optimality of a proposed precursor to the genetic code. The results show that the precursor code has only limited optimality, which is interpreted as evidence that the precursor emerged prior to translation, or else never existed. In the next part of the dissertation, I introduce a many-body formalism for reaction-diffusion systems described at the mesoscopic scale with master equations. I first apply this formalism to spatially-extended predator-prey ecosystems, resulting in the prediction that many-body correlations and fluctuations drive population cycles in time, called quasicycles. Most of these results were previously known, but were derived using the system size expansion [2, 3]. I next apply the analytical techniques developed in the study of quasi-cycles to a simple model of Turing patterns in a predator-prey ecosystem. This analysis shows that fluctuations drive the formation of a new kind of spatiotemporal pattern formation that I name "quasi-patterns." These quasi-patterns exist over a much larger range of physically accessible parameters than the patterns predicted in mean field theory and therefore account for the apparent observations in ecology of patterns in regimes where Turing patterns do not occur. I further show that quasi-patterns have statistical properties that allow them to be distinguished empirically from mean field Turing patterns. I next analyze a model of visual cortex in the brain that has striking similarities to the activator-inhibitor model of ecosystem quasi-pattern formation. Through analysis of the resulting phase diagram, I show that the architecture of the neural network in the visual cortex is configured to make the visual cortex robust to unwanted internally generated spatial structure that interferes with normal visual function. I also predict that some geometric visual hallucinations are quasi-patterns and that the visual cortex supports a new phase of spatially scale invariant behavior present far from criticality. In the final chapter, I explore the effects of fluctuations on cycles in systems biology, specifically the pervasive phenomenon of circadian rhythms. By exploring the behavior of a generic stochastic model of circadian rhythms, I show that the circadian rhythm circuit exploits leaky mRNA production to safeguard the cycle from failure. I also show that this safeguard mechanism is highly robust to changes in the rate of leaky mRNA production. Finally, I explore the failure of the deterministic model in two different contexts, one where the deterministic model predicts cycles where they do not exist, and another context in which cycles are not predicted by the deterministic model.

Butler, Thomas C.

147

Coupled quantum wires as a detector of many-body states below the last conductance plateau.

We demonstrate the presence of a resonant interaction between a pair of coupled quantum wires, which are realized in the ultra-high mobility two-dimensional electron gas of a GaAs/AlGaAs quantum well. Measuring the conductance of one wire, as the width of the other is varied, we observe a resonant peak in its conductance that is correlated with the point at which the swept wire pinches off. We discuss this behavior in terms of recent theoretical predictions concerning local spin-moment formation in quantum wires.

Sasaki, T. (Chiba University, Chiba, Japan); Lilly, Michael Patrick; Bird, J. P. (Arizona State University, Tempe, AZ); Shailos, A. (Arizona State University, Tempe, AZ); Reno, John Louis; Ochiai, Y. (Chiba University, Chiba, Japan); Aoki, N. (Chiba University, Chiba, Japan); Iwase, Y. (Chiba University, Chiba, Japan); Morimoto, T. (Chiba University, Chiba, Japan); Simmons, Jerry Alvon

2004-03-01

148

NASA Astrophysics Data System (ADS)

A simple approach is discussed which associates to (solvable) matrix equations (solvable) dynamical systems, generally interpretable as (interesting) many-body problems, possibly involving auxiliary dependent variables in addition to those identifying the positions of the moving particles. We then focus on cases in which the auxiliary variables can be altogether eliminated, reobtaining thereby (via this unified approach) well-known solvable many-body problems, and moreover a (solvable) extension of the "goldfish" model.

Calogero, Francesco

2004-06-01

149

Bound States and Many-Body Effects in H-Shaped Quantum Wires

In this paper, bound states energies and corresponding wave functions of H-shaped quantum wires are calculated numerically in the presence of external magnetic and electric fields and within the Landau gauge. With a suitable definition of external confinement potential, we present a numerical algorithm to calculate the profile of probability distribution of charge carriers. Our analysis shows that in the

Kourosh Nozari; Mehrnoush Mirzaei

2007-01-01

150

NASA Astrophysics Data System (ADS)

This thesis is composed of two parts. In the first part we summarize our study on implementation of quantum information processing (QIP) in optical cavity QED systems, while in the second part we present our numerical investigations on strongly interacting Fermi systems using a powerful numerical algorithm developed from the perspective of quantum information theory. We explore various possible applications of cavity QED in the strong coupling regime to quantum information processing tasks theoretically, including efficient preparation of Schrodinger-cat states for traveling photon pulses, robust implementation of conditional quantum gates on neutral atoms, as well as implementation of a hybrid controlled SWAP gate. We analyze the feasibility and performance of our schemes by solving corresponding physical models either numerically or analytically. We implement a novel numerical algorithm called Time Evolving Block Decimation (TEBD), which was proposed by Vidal from the perspective of quantum information science. With this algorithm, we numerically study the ground state properties of strongly interacting fermions in an anisotropic optical lattice across a wide Feshbach resonance. The interactions in this system can be described by a general Hubbard model with particle assisted tunneling. For systems with equal spin population, we find that the Luther-Emery phase, which has been known to exist only for attractive on-site interactions in the conventional Hubbard model, could also be found even in the case with repulsive on-site interactions in the general Hubbard model. Using the TEBD algorithm, we also study the effect of particle assisted tunneling in spin-polarized systems. Fermi systems with unequal spin population and attractive interaction could allow the existence of exotic superfluidity, such as the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state. In the general Hubbard model, such exotic FFLO pairing of fermions could be suppressed by high particle assisted tunneling rates. However, at low particle assisted tunneling rates, the FFLO order could be enhanced. The effect of particle density inhomogeneity due to the presence of a harmonic trap potential is also discussed based on the local density approximation.

Wang, Bin

151

NASA Astrophysics Data System (ADS)

Systems of strongly interacting atoms and photons, which can be realized wiring up individual Cavity QED (CQED) systems into lattices, are perceived as a new platform for quantum simulation [1-3]. While sharing important properties with other systems of interacting quantum particles, the nature of light-matter interaction gives rise to unique features with no analogs in condensed matter or atomic physics setups. Such Lattice CQED systems operate on polaritonic quasi-particles that are hybrids of light and matter in a controllable proportion, combining long-range coherence of photons and strong interactions typically displayed by massive particles. In this talk, I will discuss our recent efforts [4-6] on the possibility of observing quantum many body physics and quantum phase transitions in Lattice CQED systems. Unavoidable photon loss coupled with the ease of feeding in additional photons through continuous external driving renders such lattices open quantum systems [5]. Another key aspect of many body physics with light that I will focus on is the particle number non-conserving nature of the fundamental light-matter interaction [6] and the question of what quantity, if not the chemical potential, can stabilize finite density quantum phases of correlated photons.[4pt] [1] M. J. Hartmann, F. G. Brandao, and M. B. Plenio, Laser and Photonics Reviews 2, 527 (2008).[0pt] [2] A. Tomadin and R. Fazio, JOSA B 27, A130 (2010).[0pt] [3] A. Houck, H. E. Tureci, and J. Koch, Nature Phys. 8, 292 (2012).[0pt] [4] S. Schmidt, D. Gerace, A. A. Houck, G. Blatter, and H. E. Tureci, Physical Review B 82, 100507 (2010).[0pt] [5] F. Nissen, S. Schmidt, M. Biondi, G. Blatter, H. E. Tureci, J. Keeling, Phys. Rev. Lett. 108, 233603 (2012).[0pt] [6] M. Schiro, M. Bordyuh, B. Oztop, H. E. Tureci, Phys. Rev. Lett. 109, 053601 (2012).

Tureci, Hakan E.

2013-03-01

152

COVER IMAGE How quantum many-body systems

: Photonic neural networks Damien Woods and Thomas J. Naughton 259 Cell mechanics: Forced to branch out-AO CHEN COVER DESIGN: ALLEN BEATTIE ON THE COVER Laser-driven plasmas Multicolour redirection Article p344

Loss, Daniel

153

The occupation of more than one single-particle state and hence the emergence of fragmentation is a many-body phenomenon universal to systems of spatially confined interacting bosons. In the present study, we investigate the effect of the range of the interparticle interactions on the fragmentation degree of one- and two-dimensional systems. We solve the full many-body Schr\\"odinger equation of the system using the recursive implementation of the multiconfigurational time-dependent Hartree for bosons method, R-MCTDHB. The dependence of the degree of fragmentation on dimensionality, particle number, areal or line density and interaction strength is assessed. It is found that for contact interactions, the fragmentation is essentially density independent in two dimensions. However, fragmentation increasingly depends on density the more long-ranged the interactions become. The degree of fragmentation is increasing, keeping the particle number $N$ fixed, when the density is decreasing as expected in one spatial dimension. We demonstrate that this remains, nontrivially, true also for long-range interactions in two spatial dimensions. We, finally, find that within our fully self-consistent approach, the fragmentation degree, to a good approximation, decreases universally as $N^{-1/2}$ when only $N$ is varied.

Uwe R. Fischer; Axel U. J. Lode; Budhaditya Chatterjee

2015-02-17

154

The coupled-cluster approach to quantum many-body problem in a three-Hilbert-space reinterpretation

The quantum many-body bound-state problem in its computationally successful coupled cluster method (CCM) representation is reconsidered. In conventional practice one factorizes the ground-state wave functions $|\\Psi\\rangle= e^S |\\Phi\\rangle$ which live in the "physical" Hilbert space ${\\cal H}^{(P)}$ using an elementary ansatz for $|\\Phi\\rangle$ plus a formal expansion of $S$ in an operator basis of multi-configurational creation operators. In our paper a reinterpretation of the method is proposed. Using parallels between the CCM and the so called quasi-Hermitian, alias three-Hilbert-space (THS), quantum mechanics, the CCM transition from the known microscopic Hamiltonian (denoted by usual symbol $H$), which is self-adjoint in ${\\cal H}^{(P)}$, to its effective lower-case isospectral avatar $\\hat{h}=e^{-S} H e^S$, is assigned a THS interpretation. In the opposite direction, a THS-prescribed, non-CCM, innovative reinstallation of Hermiticity is shown to be possible for the CCM effective Hamiltonian $\\hat{h}$, ...

Bishop, Raymond F

2013-01-01

155

Understanding the many-body expansion for large systems. I. Precision considerations

NASA Astrophysics Data System (ADS)

Electronic structure methods based on low-order "n-body" expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H_2O)_{47}. Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program, we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ? 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems.

Richard, Ryan M.; Lao, Ka Un; Herbert, John M.

2014-07-01

156

The following issues are discussed inspired by the recent paper of Kadanoff (arXiv: 1403:6162): (a) Construction of a generalized one-particle Wigner distribution (GWD) function (analog of the classical distribution function) from which the quantum kinetic equation due to Kadanoff and Baym (KB) is derived, often called the Quantum Boltzmann Equation (QBE); (b) The equation obeyed by this has a collision contribution in the form of a two-particle Green function. This term is manipulated to have Kinetic Entropy in parallel to its counterpart in the classical Boltzmann kinetic equation for the classical distribution function. This proved to be problematic in that unlike in the classical Boltzmann kinetic equation, the contribution from the kinetic entropy term was non-positive; (3) Kadanoff surmised that this situation could perhaps be related to quantum entanglement that may not have been included in his theory. It is shown that GWD is not positive everywhere (indicating dynamical quantumness) just like the commonly recognized property of the Wigner function (negative property indicating quantumness of the state). The issue of non-positive feature appearing in approximate evaluation of patently positive entities in many particle systems is here pointed to an early discussion of this issue (Phys. Rev. A10, 1852 (1974)) in terms of a theorem on truncation of cumulant expansion of a probability distribution function due to Marcinkeiwicz. The last issue of presence or absence of entanglement in an approximate evaluation of a many particle correlation poses a new problem; it is considered here in terms of fermionic entanglement theory in the light of density matrix and Green function theory of many-fermion systems. The clue comes from the fact that the Hartree-Fock approximation exhbits no entantanglement in two-particle fermion density matrix and hence also in two-particle Green function.

A. K. Rajgaopal

2014-05-12

157

Physics 832: Quantum Many-Body Physics Fall 2011 Lecture: TuTh 2:003:15 in Phy 2202 by Michael Levin (Office: Phy 2220). Prerequisites: Quantum mechanics (Physics 402), Statistical physics (Physics 404). Philosophy: This course will introduce some of the basic tools and physical pictures nec- essary

Lathrop, Daniel P.

158

Ultra-cold atomic matter and quantum information My group studies various many-body states of ultra cold atoms and investigates possible applications towards quantum computation. Two subjects studies of nematic Mott states and dimerized valence bond states of spin-one atoms. We also have

Plotkin, Steven S.

159

NASA Astrophysics Data System (ADS)

We take advantage of the simple approach, recently discussed, which associates to (solvable) matrix equations (solvable) dynamical systems interpretable as (interesting) many-body problems, possibly involving auxiliary dependent variables in addition to those identifying the positions of the moving particles. Starting from a solvable matrix evolution equation, we obtain the corresponding many-body model and note that in one case the auxiliary variables can be altogether eliminated, obtaining thereby an (also Hamiltonian) extension of the "goldfish" model. The solvability of this novel model, and of its isochronous variant, is exhibited. A related, as well solvable, model, is also introduced, as well as its isochronous variant. Finally, the small oscillations of the isochronous models around their equilibrium configurations are investigated, and from their isochronicity certain diophantine relations are evinced.

Calogero, Francesco

2004-12-01

160

The (Berry-Aharonov-Anandan) geometric phase acquired during a cyclic quantum evolution of finite-dimensional quantum systems is studied. It is shown that a pure quantum state in a (2J+1)-dimensional Hilbert space (or, equivalently, of a spin-J system) can be mapped onto the partition function of a gas of independent Dirac strings moving on a sphere and subject to the Coulomb repulsion of 2J fixed test charges (the Majorana stars) characterizing the quantum state. The geometric phase may be viewed as the Aharonov-Bohm phase acquired by the Majorana stars as they move through the gas of Dirac strings. Expressions for the geometric connection and curvature, for the metric tensor, as well as for the multipole moments (dipole, quadrupole, etc.), are given in terms of the Majorana stars. Finally, the geometric formulation of the quantum dynamics is presented and its application to systems with exotic ordering such as spin nematics is outlined. PMID:23004240

Bruno, Patrick

2012-06-15

161

Introduction to the Statistical Physics of Integrable Many-body Systems

NASA Astrophysics Data System (ADS)

Preface; Part I. Spinless Bose and Fermi Gases: 1. Particles with nearest-neighbour interactions: Bethe ansatz and the ground state; 2. Bethe ansatz: zero-temperature thermodynamics and excitations; 3. Bethe ansatz: finite-temperature thermodynamics; 4. Particles with inverse-square interactions; Part II. Quantum Inverse Scattering Method: 5. QISM: Yang-Baxter equation; 6. QISM: transfer matrix and its diagonalization; 7. QISM: treatment of boundary conditions; 8. Nested Bethe ansatz for spin-1/2 fermions with delta interactions; 9. Thermodynamics of spin-1/2 fermions with delta interactions; Part III. Quantum Spin Chains: 10. Quantum Ising chain in a transverse field; 11. XXZ Heisenberg chain: Bethe ansatz and the ground state; 12. XXZ Heisenberg chain: ground state in the presence of magnetic field; 13. XXZ Heisenberg chain: excited states; 14. XXX Heisenberg chain: thermodynamics with strings; 15. XXZ Heisenberg chain: thermodynamics without strings; 16. XYZ Heisenberg chain; 17. Integrable isotropic chains with arbitrary spin; Part IV. Strongly Correlated Electrons: 18. Hubbard model; 19. Kondo effect; 20. Luttinger many-fermion model; 21. Integrable BCS superconductors; Part V. Sine-Gordon Model: 22. Classical sine-Gordon theory; 23. Conformal quantization; 24. Lagrangian quantization; 25. Bootstrap quantization; 26. UV-IR relation; 27. Exact finite volume description from XXZ; 28. Two-dimensional Coulomb gas; Appendix A. Spin and spin operators on chain; Appendix B. Elliptic functions; References; Index.

Šamaj, Ladislav Å.; Bajnok, Zoltán

2013-05-01

162

NASA Astrophysics Data System (ADS)

Many-body localization in a disordered system of interacting spins coupled by the long-range interaction 1 /R? is investigated combining analytical theory considering resonant interactions and a finite-size scaling of exact numerical solutions with number of spins N . The numerical results for a one-dimensional system are consistent with the general expectations of analytical theory for a d -dimensional system including the absence of localization in the infinite system at ? <2 d and a universal scaling of a critical energy disordering Wc?N2/d -? d .

Burin, Alexander L.

2015-03-01

163

Detecting two-site spin-entanglement in many-body systems with local particle-number fluctuations

We derive experimentally measurable lower bounds for the two-site entanglement of the spin-degrees of freedom of many-body systems with local particle-number fluctuations. Our method aims at enabling the spatially resolved detection of spin-entanglement in Hubbard systems using high-resolution imaging in optical lattices. A possible application is the observation of entanglement generation and spreading during spin impurity dynamics, for which we provide numerical simulations. More generally, the scheme can simplify the entanglement detection in ion chains, Rydberg atoms, or similar atomic systems.

Leonardo Mazza; Davide Rossini; Rosario Fazio; Manuel Endres

2014-08-20

164

Detecting two-site spin-entanglement in many-body systems with local particle-number fluctuations

NASA Astrophysics Data System (ADS)

We derive experimentally measurable lower bounds for the two-site entanglement of the spin-degrees of freedom of many-body systems with local particle-number fluctuations. Our method aims at enabling the spatially resolved detection of spin-entanglement in Hubbard systems using high-resolution imaging in optical lattices. A possible application is the observation of entanglement generation and spreading during spin impurity dynamics, for which we provide numerical simulations. More generally, the scheme can simplify the entanglement detection in ion chains, Rydberg atoms, or similar atomic systems.

Mazza, Leonardo; Rossini, Davide; Fazio, Rosario; Endres, Manuel

2015-01-01

165

Double Decimation and Sliding Vacua in the Nuclear Many-Body System

We propose that effective field theories for nuclei and nuclear matter comprise of "double decimation": (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown-Rho scaling recently identified as the parametric dependence intrinsic in the "vector manifestation" of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down to the scale at which the Fermi surface is formed as a quantum critical phenomenon. The next decimation to the top of the Fermi sea where standard nuclear physics is operative makes up the Fermi liquid decimation. Thus nuclear dynamics is dictated by two fixed points, namely, the vector manifestation fixed point and the Fermi liquid fixed point. It has been a prevalent practice in nuclear physics community to proceed with the second decimation only, assuming density independent masses. We show why most nuclear phenomena can be reproduced by theories using either density-independent, or density-dep...

Brown, G E; Rho, Mannque

2004-01-01

166

Double Decimation and Sliding Vacua in the Nuclear Many-Body System

We propose that effective field theories for nuclei and nuclear matter comprise of "double decimation": (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown-Rho scaling recently identified as the parametric dependence intrinsic in the "vector manifestation" of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down to the scale at which the Fermi surface is formed as a quantum critical phenomenon. The next decimation to the top of the Fermi sea where standard nuclear physics is operative makes up the Fermi liquid decimation. Thus nuclear dynamics is dictated by two fixed points, namely, the vector manifestation fixed point and the Fermi liquid fixed point. It has been a prevalent practice in nuclear physics community to proceed with the second decimation only, assuming density independent masses. We show why most nuclear phenomena can be reproduced by theories using either density-independent, or density-dependent masses, a grand conspiracy of nature that is an aspect that could be tied to the Cheshire-Cat phenomenon in hadron physics. We identify what is left out in the Fermi liquid decimation that does not incorporate the CSD. Experiments such as the dilepton production in relativistic heavy ion reactions, which are specifically designed to observe effects of dropping masses, could exhibit large effects from the reduced masses. However they are compounded with effects that are not directly tied to chiral symmetry. We discuss a recent STAR/RHIC observation where BR scaling can be singled out in a pristine environment.

G. E. Brown; Mannque Rho

2003-05-29

167

Double decimation and sliding vacua in the nuclear many-body system

NASA Astrophysics Data System (ADS)

We propose that effective field theories for nuclei and nuclear matter comprise of “double decimation”: (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown-Rho scaling recently identified as the parametric dependence intrinsic in the “vector manifestation” of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down to the scale at which the Fermi surface is formed as a quantum critical phenomenon. The next decimation to the top of the Fermi sea where standard nuclear physics is operative makes up the FLD. Thus, nuclear dynamics are dictated by two fixed points, namely, the vector manifestation fixed point and the Fermi liquid fixed point. It has been a prevalent practice in nuclear physics community to proceed with the second decimation only, assuming density-independent masses, without implementing the first, CSD. We show why most nuclear phenomena can be reproduced by theories using either density-independent, or density-dependent masses, a grand conspiracy of nature that is an aspect that could be tied to the Cheshire Cat phenomenon in hadron physics. We identify what is left out in the FLD that does not incorporate the CSD. Experiments such as the dilepton production in relativistic heavy ion reactions, which are specifically designed to observe effects of dropping masses, could exhibit large effects from the reduced masses. However, they are compounded with effects that are not directly tied to chiral symmetry. We discuss a recent STAR/RHIC observation where BR scaling can be singled out in a pristine environment.

Brown, G. E.; Rho, Mannque

2004-06-01

168

Many-body effects on optical gain in GaAsPN/GaPN quantum well lasers for silicon integration

Many-body effects on the optical gain in GaAsPN/GaP QW structures were investigated by using the multiband effective-mass theory and the non-Markovian gain model with many-body effects. The free-carrier model shows that the optical gain peak slightly increases with increasing N composition. In addition, the QW structure with a larger As composition shows a larger optical gain than that with a smaller As composition. On the other hand, in the case of the many-body model, the optical gain peak decreases with increasing N composition. Also, the QW structure with a smaller As composition is observed to have a larger optical gain than that with a larger As composition. This can be explained by the fact that the QW structure with a smaller As or N composition shows a larger Coulomb enhancement effect than that with a larger As or N composition. This means that it is important to consider the many-body effect in obtaining guidelines for device design issues.

Park, Seoung-Hwan, E-mail: shpark@cu.ac.kr [Department of Electronics Engineering, Catholic University of Daegu, Hayang, Kyeongbuk 712-702 (Korea, Republic of)

2014-02-14

169

Response function of the second kind in many-body systems

We analyze a new type of response function which portrays the properties of a system perturbed by an external field in terms of the perturbed two-point correlations of density fluctuations rather than in terms of perturbed averages of physical quantities. This “response function of the second kind” satisfies both fluctuation-dissipation-like theorems, relating it to three-point equilibrium functions, and hierarchical relationship

Xiao-Yue Gu; G. Kalman; Z. C. Tao

1993-01-01

170

Anomalous decoherence and absence of thermalization in a photonic many-body system

The intention of this work is twofold, first to present a most simple system capable of simulating the intrinsic bosonic Josephson effect with photons, and second to study various outcomes deriving from inherent or external decoherence. A qubit induces an effective coupling between two externally pumped cavity modes. Without cavity losses and in the dispersive regime, intrinsic Josephson oscillations of photons between the two modes occurs. In this case, contrary to regular Markovian decoherence, the qubit purity shows a Gaussian decay and recurrence of its coherence. Due to intrinsic non-linearities, both the Josephson oscillations as well as the qubit properties display a rich collapse-revival structure, where, however, the complexity of the qubit evolution is in some sense stronger. The qubit as a meter of the photon dynamics is considered, and it is shown that qubit dephasing, originating for example from non-demolition measurements, results in an exponential destruction of the oscillations which manifests the collectiveness of the Josephson effect. Non-selective qubit measurements, on the other hand, render a Zeno effect seen in a slowing down of the Josephson oscillations. Contrary to dephasing, cavity dissipation results in a Gaussian decay of the scaled Josephson oscillations. Finally, following Ponomarev et al. [Phys. Rev. Lett. 106, 010405 (2011)] we analyze aspects of thermalization. In particular, despite similarities with the generic model studied by Ponomarev {\\it et al.}, our system does not seem to thermalize.

Jonas Larson

2011-03-04

171

Multiple-time-scale Landau-Zener transitions in many-body systems

Motivated by recent cold atom experiments in optical lattices, we consider a lattice version of the Landau-Zener problem. Every single site is described by a Landau-Zener problem, but due to particle tunnelling between neighboring lattice sites this onsite single particle Landau-Zener dynamics couples to the particle motion within the lattice. The lattice, apart from having a dephasing effect on single site Landau-Zener transitions, also implies, in the presence of a confining trap, an inter-site particle flow induced by the Landau-Zener sweeping. This gives rise to an interplay between intra- and inter-site dynamics. The adiabaticity constrain is therefor not simply given by the standard one; the Hamiltonian rate of change relative to the gap of the onsite problem. In experimentally realistic situations, the full system evolution is well described by Franck-Condon physics, e.g. non-adiabatic excitations are predominantly external ones characterized by large phononic vibrations in the atomic cloud, while internal excitations are very weak as close to perfect onsite transitions take place.

Jonas Larson

2015-01-27

172

Multiple-time-scale Landau-Zener transitions in many-body systems

NASA Astrophysics Data System (ADS)

Motivated by recent cold-atom experiments in optical lattices, we consider a lattice version of the Landau-Zener problem. Every single site is described by a Landau-Zener problem, but due to particle tunneling between neighboring lattice sites this on-site single-particle Landau-Zener dynamics couples to the particle motion within the lattice. The lattice, apart from having a dephasing effect on single-site Landau-Zener transitions, also implies, in the presence of a confining trap, an intersite particle flow induced by the Landau-Zener sweeping. This gives rise to an interplay between intra- and intersite dynamics. The adiabaticity constraint is therefore not simply given by the standard one, the Hamiltonian rate of change relative to the gap of the on-site problem. In experimentally realistic situations, the full system evolution is well described by Franck-Condon physics; e.g., nonadiabatic excitations are predominantly external ones characterized by large phononic vibrations in the atomic cloud, while internal excitations are very weak as close-to-perfect on-site transitions take place.

Larson, Jonas

2015-01-01

173

The Loschmidt Echo as a robust decoherence quantifier for many-body systems

We employ the Loschmidt Echo, i.e. the signal recovered after the reversal of an evolution, to identify and quantify the processes contributing to decoherence. This procedure, which has been extensively used in single particle physics, is here employed in a spin ladder. The isolated chains have 1/2 spins with XY interaction and their excitations would sustain a one-body like propagation. One of them constitutes the controlled system S whose reversible dynamics is degraded by the weak coupling with the uncontrolled second chain, i.e. the environment E. The perturbative SE coupling is swept through arbitrary combinations of XY and Ising like interactions, that contain the standard Heisenberg and dipolar ones. Different time regimes are identified for the Loschmidt Echo dynamics in this perturbative configuration. In particular, the exponential decay scales as a Fermi golden rule, where the contributions of the different SE terms are individually evaluated and analyzed. Comparisons with previous analytical and numerical evaluations of decoherence based on the attenuation of specific interferences, show that the Loschmidt Echo is an advantageous decoherence quantifier at any time, regardless of the S internal dynamics.

Pablo R. Zangara; Axel D. Dente; Patricia R. Levstein; Horacio M. Pastawski

2012-07-23

174

Many Body Physics: Unfinished Revolution

. The study of many body physics has provided a scientific playground of surprise and continuing revolution over the past half\\u000a century. The serendipitous discovery of new states and properties of matter, phenomena such as superfluidity, the Meissner,\\u000a the Kondo and the fractional quantum hall effect, have driven the development of new conceptual frameworks for our understanding\\u000a about collective behavior, the

Piers Coleman

2003-01-01

175

Relativistic nuclear many-body theory

Nonrelativistic models of nuclear systems have provided important insight into nuclear physics. In future experiments, nuclear systems will be examined under extreme conditions of density and temperature, and their response will be probed at momentum and energy transfers larger than the nucleon mass. It is therefore essential to develop reliable models that go beyond the traditional nonrelativistic many-body framework. General properties of physics, such as quantum mechanics, Lorentz covariance, and microscopic causality, motivate the use of quantum field theories to describe the interacting, relativistic, nuclear many-body system. Renormalizable models based on hadronic degrees of freedom (quantum hadrodynamics) are presented, and the assumptions underlying this framework are discussed. Some applications and successes of quantum hadrodynamics are described, with an emphasis on the new features arising from relativity. Examples include the nuclear equation of state, the shell model, nucleon-nucleus scattering, and the inclusion of zero-point vacuum corrections. Current issues and problems are also considered, such as the construction of improved approximations, the full role of the quantum vacuum, and the relationship between quantum hadrodynamics and quantum chromodynamics. We also speculate on future developments. 103 refs., 18 figs.

Serot, B.D. (Indiana Univ., Bloomington, IN (United States)); Walecka, J.D. (Southeastern Universities Research Association, Newport News, VA (United States). Continuous Electron Beam Accelerator Facility)

1991-09-11

176

We prove a generalized version of the RAGE theorem for N-body quantum systems. The result states that only bound states of systems with $0\\leq n\\leq N$ particles persist in the long time average. The limit is formulated by means of an appropriate weak topology for many-body systems, which was introduced by the second author in a previous work, and is based on reduced density matrices. This topology is connected to the weak-* topology of states on the algebras of canonical commutation or anti-commutation relations, and we give a formulation of our main result in this setting.

Jonas Lampart; Mathieu Lewin

2015-03-02

177

Few- and many-body physics of dipoles in ion traps and optical lattice simulators

The presence of strong interactions in quantum many-body systems makes the analytical treatment of such systems very difficult. In this thesis we explore two possible proposals for simulating strongly correlated, quantum ...

Safavi-Naini, Arghavan

2014-01-01

178

NASA Astrophysics Data System (ADS)

We analyze the ground-state phase diagram of attractive lattice bosons, which are stabilized by a three-body onsite hardcore constraint. A salient feature of this model is an Ising-type transition from a conventional atomic superfluid to a dimer superfluid with vanishing atomic condensate. The study builds on an exact mapping of the constrained model to a theory of coupled bosons with polynomial interactions, proposed in a related paper [S. Diehl, M. Baranov, A. Daley, and P. Zoller, Phys. Rev. B 82, 064509 (2010).10.1103/PhysRevB.82.064509]. In this framework, we focus by analytical means on aspects of the phase diagram which are intimately connected to interactions, and are thus not accessible in a mean-field plus spin-wave approach. First, we determine shifts in the mean-field phase border, which are most pronounced in the low-density regime. Second, the investigation of the strong coupling limit reveals the existence of a “continuous supersolid,” which emerges as a consequence of enhanced symmetries in this regime. We discuss its experimental signatures. Third, we show that the Ising-type phase transition, driven first order via the competition of long-wavelength modes at generic fillings, terminates into a true Ising quantum critical point in the vicinity of half filling.

Diehl, S.; Baranov, M.; Daley, A. J.; Zoller, P.

2010-08-01

179

complexity in a many-body quantum and collective human system AIP Advances 1, 012114 (2011); 10 used to discuss and rationalize the behavior of many- body systems that are less tractable but moreCommunication: Dominance of extreme statistics in a prototype many-body Brownian ratchet Evan

Geissler, Phillip

180

Given a quantum many-body system, the Self-Consistent Phonons (SCP) method provides an optimal harmonic approximation by minimizing the free energy. In particular, the SCP estimate for the vibrational ground state (zero temperature) appears to be surprisingly accurate. We explore the possibility of going beyond the SCP approximation by considering the system Hamiltonian evaluated in the harmonic eigenbasis of the SCP Hamiltonian. It appears that the SCP ground state is already uncoupled to all singly- and doubly-excited basis functions. So, in order to improve the SCP result at least triply-excited states must be included, which then reduces the error in the ground state estimate substantially. For a multidimensional system two numerical challenges arise, namely, evaluation of the potential energy matrix elements in the harmonic basis, and handling and diagonalizing the resulting Hamiltonian matrix, whose size grows rapidly with the dimensionality of the system. Using the example of water hexamer we demonstrate that such calculation is feasible, i.e., constructing and diagonalizing the Hamiltonian matrix in a triply-excited SCP basis, without any additional assumptions or approximations. Our results indicate particularly that the ground state energy differences between different isomers (e.g., cage and prism) of water hexamer are already quite accurate within the SCP approximation.

Georgescu, Ionu?, E-mail: ionutg@gmail.com; Mandelshtam, Vladimir A. [Chemistry Department, University of California, Irvine, California 92697 (United States)] [Chemistry Department, University of California, Irvine, California 92697 (United States); Jitomirskaya, Svetlana [Department of Mathematics, University of California, Irvine, California 92697 (United States)] [Department of Mathematics, University of California, Irvine, California 92697 (United States)

2013-11-28

181

In two papers (of which this is the first) our central concern is to draw conclusions about the over-all dynamical properties of a many-body system. This is done without trying to solve the equations of motion, but rather, on the basis of our knowledge of oscillatory or collective variables (or more generally, from the existence of conservation rules and of

D. Bohm; G. Carmi

1964-01-01

182

Nuclear Many-Body Physics Where Structure And Reactions Meet

The path from understanding a simple reaction problem of scattering or tunneling to contemplating the quantum nuclear many-body system, where structure and continuum of reaction-states meet, overlap and coexist, is a complex and nontrivial one. In this presentation we discuss some of the intriguing aspects of this route.

Naureen Ahsan; Alexander Volya

2009-06-24

183

Many-body phenomena in QED-cavity arrays [Invited

Coupled quantum electrodynamics (QED) cavities have been recently proposed as new systems to simulate a variety of equilibrium and nonequilibrium many-body phenomena. We present a brief review of their main properties together with a survey of the latest developments of the field and some perspectives concerning their experimental realizations and possible new theoretical directions.

Tomadin, A. [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Fazio, Rosario [NEST, Scuola Normale Superiore and INFM-CNR, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)

2010-06-15

184

Scalable dissipative preparation of many-body entanglement

Entanglement is an essential resource for quantum information, quantum computation and quantum communication. While small entangled states of few particles have been used to demonstrate non-locality of nature and elementary quantum communication protocols, more advanced quantum computation and simulation tasks as well as quantum-enhanced measurements require many-body entanglement. Over the past years, impressive progress has been made on entangling larger numbers of qubits using unitary quantum gates. Entangled states are, however, sensitive to interactions with the environment, which are present in any open system. In particular decoherence and dissipation have remained a challenge. Here we show that by taking an approach alternative to quantum gates one can actively use dissipation to generate many-body entanglement. We demonstrate that by adding sources of dissipation and engineering decay processes, multi-particle entangled states can be prepared efficiently as steady states of the dissipative time evolution. Our protocols pave the way for the dissipative production of many-body entanglement in physical systems such as trapped ions.

Florentin Reiter; David Reeb; Anders S. Sørensen

2015-01-26

185

Gravitational Many-Body Problem

In this paper, we briefly review some aspects of the gravitational many-body problem, which is one of the oldest problems in the modern mathematical science. Then we review our GRAPE project to design computers specialized to this problem.

Makino, J. [Center for Computational Astrophysics, National Astronomical Observatory, Osawa, Mitaka, Tokyo 181 (Japan)

2008-04-29

186

Penn State: Consortium for Education in Many-Body Applications

NSDL National Science Digital Library

Funded by the National Science Foundation, the Consortium for Education in Many-Body Applications at Penn State University brings together scientists from a range of scientific and engineering disciplines to address "many-body" problems. These problems refer to "the complexities that arise when more than a few electrons or atoms or particles are involved." The solutions involve "the use of high performance and massively parallel computers coupled with improved algorithms." Drawing from seven academic departments (Aerospace Engineering, Chemistry, Chemical Engineering, Computer Science and Engineering, Materials Science and Engineering, Mathematics, and Physics) they offer courses, summer internships, seminars and tutorials, and conduct research projects. The Research section of the website provides summary articles on a variety of topics, including High-Performance and Parallel Computing; Advanced Visualization; and Quantum mechanics of many-body systems. Descriptions of courses and seminars as well as some of the PowerPoint presentations are also available online.

187

Â18]. We have experimentally observed such an entangling transition of a two-qubit Heisenberg spin chain measurement on that [20]. In the two-qubit system that we discussed in these earlier papers, only one typePHYSICAL REVIEW A 81, 042327 (2010) Ground-state entanglement in a system with many

Suter, Dieter

188

Many-Body Interactions with Tunable-Coupling Transmon Qubits

NASA Astrophysics Data System (ADS)

The efficient implementation of many-body interactions in superconducting circuits allows for the realization of multipartite entanglement and topological codes, as well as the efficient simulation of highly correlated fermionic systems. We propose the engineering of fast multiqubit interactions with tunable transmon-resonator couplings. This dynamics is obtained by the modulation of magnetic fluxes threading superconducting quantum interference device loops embedded in the transmon devices. We consider the feasibility of the proposed implementation in a realistic scenario and discuss potential applications.

Mezzacapo, A.; Lamata, L.; Filipp, S.; Solano, E.

2014-08-01

189

Area laws in a many-body localized state and its implications for topological order

The question whether Anderson insulators can persist to finite-strength interactions - a scenario dubbed many-body localization - has recently received a great deal of interest. The origin of such a many-body localized phase has been described as localization in Fock space, a picture we examine numerically. We then formulate a precise sense in which a single energy eigenstate of a Hamiltonian can be adiabatically connected to a state of a non-interacting Anderson insulator. We call such a state a many-body localized state and define a many-body localized phase as one in which almost all states are many-body localized states. We explore the possible consequences of this; the most striking is an area law for the entanglement entropy of almost all excited states in a many-body localized phase. We present the results of numerical calculations for a one-dimensional system of spinless fermions. Our results are consistent with an area law and, by implication, many-body localization for almost all states and almost all regions for weak enough interactions and strong disorder. However, there are rare regions and rare states with much larger entanglement entropies. Furthermore, we study the implications that many-body localization may have for topological phases and self-correcting quantum memories. We find that there are scenarios in which many-body localization can help to stabilize topological order at non-zero energy density, and we propose potentially useful criteria to confirm these scenarios.

Bela Bauer; Chetan Nayak

2013-06-30

190

Probing many-body interactions in an optical lattice clock

We present a unifying theoretical framework that describes recently observed many-body effects during the interrogation of an optical lattice clock operated with thousands of fermionic alkaline earth atoms. The framework is based on a many-body master equation that accounts for the interplay between elastic and inelastic p-wave and s-wave interactions, finite temperature effects and excitation inhomogeneity during the quantum dynamics of the interrogated atoms. Solutions of the master equation in different parameter regimes are presented and compared. It is shown that a general solution can be obtained by using the so called Truncated Wigner Approximation which is applied in our case in the context of an open quantum system. We use the developed framework to model the density shift and decay of the fringes observed during Ramsey spectroscopy in the JILA {sup 87}Sr and NIST {sup 171}Yb optical lattice clocks. The developed framework opens a suitable path for dealing with a variety of strongly-correlated and driven open-quantum spin systems. -- Highlights: •Derived a theoretical framework that describes many-body effects in a lattice clock. •Validated the analysis with recent experimental measurements. •Demonstrated the importance of beyond mean field corrections in the dynamics.

Rey, A.M., E-mail: arey@jilau1.colorado.edu [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Gorshkov, A.V. [Joint Quantum Institute, NIST and University of Maryland, Department of Physics, College Park, MD 20742 (United States)] [Joint Quantum Institute, NIST and University of Maryland, Department of Physics, College Park, MD 20742 (United States); Kraus, C.V. [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria) [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Institute for Theoretical Physics, University of Innsbruck, A-6020 Innsbruck (Austria); Martin, M.J. [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States) [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Institute for Quantum Information and Matter, California Institute of Technology, Pasadena, CA 91125 (United States); Bishof, M.; Swallows, M.D.; Zhang, X.; Benko, C.; Ye, J. [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States)] [JILA, NIST and University of Colorado, Department of Physics, Boulder, CO 80309 (United States); Lemke, N.D.; Ludlow, A.D. [National Institute of Standards and Technology, Boulder, CO 80305 (United States)] [National Institute of Standards and Technology, Boulder, CO 80305 (United States)

2014-01-15

191

Effective Field Theory in Nuclear Many-Body Physics

Recent progress in Lorentz-covariant quantum field theories of the nuclear many-body problem (quantum hadrodynamics, or QHD) is discussed. The importance of modern perspectives in effective field theory and density functional theory for understanding the successes of QHD is emphasized. To appear in: 150 Years of Quantum Many-Body Theory: A conference in honour of the 65th birthdays of John W. Clark, Alpo J. Kallio, Manfred L. Ristig, and Sergio Rosati.

Brian D. Serot; John Dirk Walecka

2000-10-10

192

Topological interactions of Nambu-Goldstone bosons in quantum many-body systems

We classify effective actions for Nambu-Goldstone (NG) bosons assuming absence of anomalies. Special attention is paid to Lagrangians invariant only up to a surface term, shown to be in a one-to-one correspondence with Chern-Simons (CS) theories for unbroken symmetry. Without making specific assumptions on spacetime symmetry, we give explicit expressions for these Lagrangians, generalizing the Berry and Hopf terms in ferromagnets. Globally well-defined matrix expressions are derived for symmetric coset spaces of broken symmetry. The CS Lagrangians exhibit special properties, on both the perturbative and the global topological level. The order-one CS term is responsible for non-invariance of canonical momentum density under internal symmetry, known as the linear momentum problem. The order-three CS term gives rise to a novel type of interaction among NG bosons. All the CS terms are robust against local variations of microscopic physics.

Tomas Brauner; Sergej Moroz

2014-11-03

193

Optical pumping into many-body entanglement

We propose a scheme of optical pumping by which a system of atoms coupled to harmonic oscillators is driven to an entangled steady state through the atomic spontaneous emission. It is shown that the optical pumping can be tailored so that the many-body atomic state asymptotically reaches an arbitrary stabilizer state regardless of the initial state. The proposed scheme can be suited to various physical systems. In particular, the ion-trap realization is well within current technology.

Jaeyoon Cho; Sougato Bose; M. S. Kim

2011-01-16

194

Towards Measuring the Many-Body Entanglement from Fluctuations

NASA Astrophysics Data System (ADS)

The degree of entanglement in a many-body quantum system is often characterized using the bipartite entanglement entropy. We propose that bipartite fluctuations are also an effective tool for studying many-body physics [1] particularly its entanglement properties, in the same way that noise and full counting statistics have been used in mesoscopic transport and cold atoms. We apply some concepts underlying the field of full counting statistics to the study of the ground states of many-body Hamiltonians, with the boundary introduced by the bipartition playing the role of the scattering or interacting region. For systems that are equivalent to non-interacting fermions, we show that fluctuations and higher-order cumulants fully encode the information needed to determine the entanglement entropy [1-3]. In the context of quantum point contacts, measurement of the second charge cumulant showing a logarithmic dependence on time [2] then would constitute a strong indication of many-body entanglement [1]. Here, the measurability of the entanglement entropy, while suggestive, is particular to the nature of non-interacting particles [4,5]. [4pt] [1] H. Francis Song, S. Rachel, C. Flindt, I. Klich, N. Laflorencie and K. Le Hur, arXiv:1109.1001. 30 pages + 25 pages supplementary information.[0pt] [2] I. Klich and L. Levitov, Phys. Rev. Lett. 102, 100502 (2009).[0pt] [3] H. F. Song, C. Flindt, S. Rachel, I. Klich and K. Le Hur, Phys. Rev. B 83, 161408R (2011).[0pt] [4] B. Hsu, E. Grosfeld and E. Fradkin, Phys. Rev. B 80, 235412 (2009).[0pt] [5] H. Francis Song, Stephan Rachel and Karyn Le Hur, Phys. Rev. B 82, 012405 (2010).

Le Hur, Karyn

2012-02-01

195

The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\\bf 79}, 195117 (2009); Reboredo, {\\it ibid.} {\\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. The method converges to exact eigenstates as the statistical data collected increases if the wave function is sufficiently flexible. It is shown that the wave functions of complex anti-symmetric eigen-states can be written as the product of an anti-symmetric real factor and a symmetric phase factor. The dimensionality of the nodal surface is dependent on whether phase is a scalar function or not. A recursive optimization algorithm is derived from the time evolution of the mixed probability density, which is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weight allows the amplitude of the fixed-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [Ortiz, Ceperley and Martin, Phys Rev. Lett. {\\bf 71}, 2777 (1993)]. When used recursively it simultaneously improves the node and the phase. The algorithm is demonstrated to converge to nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The computational cost is proportional to the number of independent degrees of freedom of the phase. The method is applied to obtain low-energy excitations of Hamiltonians with magnetic field or periodic boundary conditions. The method is used to optimize wave functions with twisted boundary conditions, which are included in a many-body Bloch phase. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed.

Fernando Agustín Reboredo

2011-06-09

196

Stochastic gene expression as a many-body problem

Gene expression has a stochastic component because of the single-molecule nature of the gene and the small number of copies of individual DNA-binding proteins in the cell. We show how the statistics of such systems can be mapped onto quantum many-body problems. The dynamics of a single gene switch resembles the spin-boson model of a two-site polaron or an electron transfer reaction. Networks of switches can be approximately described as quantum spin systems by using an appropriate variational principle. In this way, the concept of frustration for magnetic systems can be taken over into gene networks. The landscape of stable attractors depends on the degree and style of frustration, much as for neural networks. We show the number of attractors, which may represent cell types, is much smaller for appropriately designed weakly frustrated stochastic networks than for randomly connected networks. PMID:12606710

Sasai, Masaki; Wolynes, Peter G.

2003-01-01

197

Many-Body Models for Molecular Nanomagnets

NASA Astrophysics Data System (ADS)

We present a flexible and effective ab initio scheme to build many-body models for molecular nanomagnets, and to calculate magnetic exchange couplings and zero-field splittings. It is based on using localized Foster-Boys orbitals as a one-electron basis. We apply this scheme to three paradigmatic systems, the antiferromagnetic rings Cr8 and Cr7Ni, and the single-molecule magnet Fe4. In all cases we identify the essential magnetic interactions and find excellent agreement with experiments.

Chiesa, A.; Carretta, S.; Santini, P.; Amoretti, G.; Pavarini, E.

2013-04-01

198

Many-body models for molecular nanomagnets.

We present a flexible and effective ab initio scheme to build many-body models for molecular nanomagnets, and to calculate magnetic exchange couplings and zero-field splittings. It is based on using localized Foster-Boys orbitals as a one-electron basis. We apply this scheme to three paradigmatic systems, the antiferromagnetic rings Cr8 and Cr7Ni, and the single-molecule magnet Fe4. In all cases we identify the essential magnetic interactions and find excellent agreement with experiments. PMID:25167305

Chiesa, A; Carretta, S; Santini, P; Amoretti, G; Pavarini, E

2013-04-12

199

We show the coherent control of dephasing process of exciton polarization due to heavy hole-heavy hole and heavy hole-light hole scatterings in a GaAs single quantum well. The memory time of the exction scattering is estimated as 0.47 ps.

Ogawa, Y.; Minami, F. [Department of Physics, Tokyo Institute of Technology, Meguro, Tokyo 152-8551 (Japan)

2013-12-04

200

Interferometric probes of many-body localization.

We propose a method for detecting many-body localization (MBL) in disordered spin systems. The method involves pulsed coherent spin manipulations that probe the dephasing of a given spin due to its entanglement with a set of distant spins. It allows one to distinguish the MBL phase from a noninteracting localized phase and a delocalized phase. In particular, we show that for a properly chosen pulse sequence the MBL phase exhibits a characteristic power-law decay reflecting its slow growth of entanglement. We find that this power-law decay is robust with respect to thermal and disorder averaging, provide numerical simulations supporting our results, and discuss possible experimental realizations in solid-state and cold-atom systems. PMID:25325656

Serbyn, M; Knap, M; Gopalakrishnan, S; Papi?, Z; Yao, N Y; Laumann, C R; Abanin, D A; Lukin, M D; Demler, E A

2014-10-01

201

Dynamics of many-body localization

NASA Astrophysics Data System (ADS)

Following the field theoretic approach of Basko et al. [Ann. Phys. 321, 1126 (2006), 10.1016/j.aop.2005.11.014], we study in detail the real-time dynamics of a system expected to exhibit many-body localization. In particular, for time scales inaccessible to exact methods, we demonstrate that within the second-Born approximation the temporal decay of the density-density correlation function is consistent with a finite value for t ??, as expected in a nonergodic state. This behavior persists over a wide range of disorder and interaction strengths and suggests that the nonergodic phase is surprisingly robust compared to the prediction of Basko et al. We argue that this discrepancy may be resolved by the presence of a nonergodic, but metallic, phase.

Bar Lev, Yevgeny; Reichman, David R.

2014-06-01

202

Dynamical Stability of a Many-body Kapitza Pendulum

We consider a many-body generalization of the Kapitza pendulum: the periodically-driven sine-Gordon model. We show that this interacting system is dynamically stable to periodic drives with finite frequency and amplitude. This finding is in contrast to the common belief that periodically-driven unbounded interacting systems should always tend to an absorbing infinite-temperature state. The transition to an unstable absorbing state is described by a change in the sign of the kinetic term in the effective Floquet Hamiltonian and controlled by the short-wavelength degrees of freedom. We investigate the stability phase diagram through an analytic high-frequency expansion, a self-consistent variational approach, and a numeric semiclassical calculations. Classical and quantum experiments are proposed to verify the validity of our results.

Roberta Citro; Emanuele G. Dalla Torre; Luca DÁlessio; Anatoli Polkovnikov; Mehrtash Babadi; Takashi Oka; Eugene Demler

2015-01-22

203

Aiming for benchmark accuracy with the many-body expansion.

Conspectus The past 15 years have witnessed an explosion of activity in the field of fragment-based quantum chemistry, whereby ab initio electronic structure calculations are performed on very large systems by decomposing them into a large number of relatively small subsystem calculations and then reassembling the subsystem data in order to approximate supersystem properties. Most of these methods are based, at some level, on the so-called many-body (or "n-body") expansion, which ultimately requires calculations on monomers, dimers, ..., n-mers of fragments. To the extent that a low-order n-body expansion can reproduce supersystem properties, such methods replace an intractable supersystem calculation with a large number of easily distributable subsystem calculations. This holds great promise for performing, for example, "gold standard" CCSD(T) calculations on large molecules, clusters, and condensed-phase systems. The literature is awash in a litany of fragment-based methods, each with their own working equations and terminology, which presents a formidable language barrier to the uninitiated reader. We have sought to unify these methods under a common formalism, by means of a generalized many-body expansion that provides a universal energy formula encompassing not only traditional n-body cluster expansions but also methods designed for macromolecules, in which the supersystem is decomposed into overlapping fragments. This formalism allows various fragment-based methods to be systematically classified, primarily according to how the fragments are constructed and how higher-order n-body interactions are approximated. This classification furthermore suggests systematic ways to improve the accuracy. Whereas n-body approaches have been thoroughly tested at low levels of theory in small noncovalent clusters, we have begun to explore the efficacy of these methods for large systems, with the goal of reproducing benchmark-quality calculations, ideally meaning complete-basis CCSD(T). For high accuracy, it is necessary to deal with basis-set superposition error, and this necessitates the use of many-body counterpoise corrections and electrostatic embedding methods that are stable in large basis sets. Tests on small noncovalent clusters suggest that total energies of complete-basis CCSD(T) quality can indeed be obtained, with dramatic reductions in aggregate computing time. On the other hand, naive applications of low-order n-body expansions may benefit from significant error cancellation, wherein basis-set superposition error partially offsets the effects of higher-order n-body terms, affording fortuitously good results in some cases. Basis sets that afford reasonable results in small clusters behave erratically in larger systems and when high-order n-body expansions are employed. For large systems, and (H2O)N?30 is large enough, the combinatorial nature of the many-body expansion presents the possibility of serious loss-of-precision problems that are not widely appreciated. Tight thresholds are required in the subsystem calculations in order to stave off size-dependent errors, and high-order expansions may be inherently numerically ill-posed. Moreover, commonplace script- or driver-based implementations of the n-body expansion may be especially susceptible to loss-of-precision problems in large systems. These results suggest that the many-body expansion is not yet ready to be treated as a "black-box" quantum chemistry method. PMID:24883986

Richard, Ryan M; Lao, Ka Un; Herbert, John M

2014-09-16

204

Novel solvable variants of the goldfish many-body model

NASA Astrophysics Data System (ADS)

A recent technique to identify solvable many-body problems in two-dimensional space yields, via a new twist, new many-body problems of "goldfish" type. Some of these models are isochronous, namely their generic solutions are completely periodic with a fixed period (independent of the initial data). The investigation of the behavior of some of these isochronous systems in the vicinity of their equilibrium configurations yields some amusing diophantine relations.

Bruschi, M.; Calogero, F.

2006-02-01

205

Many-body physics of slow light

We present a quantum theory of slow light beyond the weak probe pulse approximation. By reduction of the full Hamiltonian of the system to an effective Hamiltonian for a single quantum field we demonstrate that the concept of dark-state polaritons can be introduced even if the linearized approach is no longer valid. The developed approach allows us to study the evolution of non-classical quantum states of the polariton field.

I. E. Mazets

2015-01-05

206

Symmetry-protected many-body Aharonov-Bohm effect

It is known as a purely quantum effect that a magnetic flux affects the real physics of a particle, such as the energy spectrum, even if the flux does not interfere with the particle's path - the Aharonov-Bohm effect. Here we examine an Aharonov-Bohm effect on a many-body wavefunction. Specifically, we study this many-body effect on the gapless edge states of a bulk gapped phase protected by a global symmetry (such as $\\mathbb{Z}_{N}$) - the symmetry-protected topological (SPT) states. The many-body analogue of spectral shifts, the twisted wavefunction and the twisted boundary realization are identified in this SPT state. An explicit lattice construction of SPT edge states is derived, and a challenge of gauging its non-onsite symmetry is overcome. Agreement is found in the twisted spectrum between a numerical lattice calculation and a conformal field theory prediction.

Luiz H. Santos; Juven Wang

2014-08-19

207

Many-body theory of surface-enhanced Raman scattering

A many-body Green's function approach to the microscopic theory of surface-enhanced Raman scattering is presented. Interaction effects between a general molecular system and a spatially anisotropic metal particle supporting plasmon excitations in the presence of an external radiation field are systematically included through many-body perturbation theory. Reduction of the exact effects of molecular-electronic correlation to the level of Hartree-Fock mean-field theory is made for practical initial implementation, while description of collective oscillations of conduction electrons in the metal is reduced to that of a classical plasma density; extension of the former to a Kohn-Sham density-functional or second-order M{\\o}ller-Plesset perturbation theory is discussed; further specialization of the latter to the random-phase approximation allows for several salient features of the formalism to be highlighted without need for numerical computation. Scattering and linear-response properties of the coupled system subjected to an external perturbing electric field in the electric-dipole interaction approximation are investigated. Both damping and finite-lifetime effects of molecular-electronic excitations as well as the characteristic fourth-power enhancement of the molecular Raman scattering intensity are elucidated from first principles. It is demonstrated that the presented theory reduces to previous models of surface-enhanced Raman scattering and leads naturally to a semiclassical picture of the response of a quantum-mechanical molecular system interacting with a spatially anisotropic classical metal particle with electronic polarization approximated by a discretized collection of electric dipoles.

David J. Masiello; George C. Schatz

2008-09-18

208

PREFACE: 17th International Conference on Recent Progress in Many-Body Theories (MBT17)

NASA Astrophysics Data System (ADS)

These are the proceedings of the XVII International Conference on Recent Progress in Many-Body Theories, which was held from 8-13 September 2013 in Rostock, Germany. The conference continued the triennial series initiated in Trieste in 1978 and was devoted to new developments in the field of many-body theories. The conference series encourages the exchange of ideas between physicists working in such diverse areas as nuclear physics, quantum chemistry, lattice Hamiltonians or quantum uids. Many-body theories are an integral part in different fields of theoretical physics such as condensed matter, nuclear matter and field theory. Phase transitions and macroscopic quantum effects such as magnetism, Bose-Einstein condensation, super uidity or superconductivity have been investigated within ultra-cold gases, finite systems or various nanomaterials. The conference series on Recent Progress in Many-Body Theories is devoted to foster the interaction and to cross-fertilize between different fields and to discuss future lines of research. The topics of the 17th meeting were Cluster Physics Cold Gases High Energy Density Matter and Intense Lasers Magnetism New Developments in Many-Body Techniques Nuclear Many-Body and Relativistic Theories Quantum Fluids and Solids Quantum Phase Transitions Topological Insulators and Low Dimensional Systems. 109 participants from 20 countries participated. 44 talks and 61 posters werde presented. As a particular highlight of the conference, The Eugene Feenberg Memorial Medal for outstanding results in the field of many-body theory and The Hermann Kümmel Early Achievement Award in Many-Body Physics for young scientists in that field were awarded. The Feenberg Medal went jointly to Patrick Lee (MIT, USA) for his fundamental contributions to condensed-matter theory, especially in regard to the quantum Hall effect, to universal conductance uctuations, and to the Kondo effect in quantum dots, and Douglas Scalapino (UC Santa Barbara, USA) for his imaginative use and development of the Monte-Carlo approach and for his ground-breaking contributions to superconductivity. The Kümmel Award went to Max Metlitski (UC Santa Barbara) for remarkable advances in the theory of quantum criticality in metals. The nominations for the Kümmel Award were of such high standard that the Committee announced Honourable Mentions to Martin Eckstein (MPDS/U Hamburg, Germany) for his leading contributions in the development of non-equilibrium dynamical mean field theory, Emanuel Gull (U Michigan, USA) for the development of the Continuous-Time Auxiliary-Field Quantum Monte Carlo Method and for its use in understanding the interplay of the pseudogap and superconductivity in the Hubbard model and Kai Sun (U Michigan, USA) for seminal contributions to the theory of topological effects in strongly correlated electron systems. The Conference continues the series of conferences held before in Trieste, Italy (1979); Oaxtapec, Mexico (1981); Odenthal-Altenberg, Germany (1983); San Francisco, USA (1985); Oulu, Finland (1987); Arad, Israel (1989); Minneapolis, USA (1991); Schloé Segau, Austria (1994); Sydney, Australia (1997); Seattle, USA (1999); Manchester, UK (2001); Santa Fe, USA (2004); Buenos Aires, Argentina (2005); Barcelona, Spain (2007); Columbus, USA (2009) and Bariloche, Argentina (2011). It has been a great pleasure to prepare for the conference. We thank the IAC and in particular Susana Hernandez and David Neilson as well as the International Programme Committee for their great support and advice. Many more people have been involved locally in organizing this international meeting and thanks goes to them, in particular to the members of the LOC Sonja Lorenzen, Dieter Bauer, Niels-Uwe Bastian, Marina Hertzfeldt, Volker Mosert and Gerd Röpke. The next meeting will take place in Buffalo, USA in 2015 and we look forward to yet another exciting exchange on Recent Progress in Many-Body Theories. Heidi Reinholz and Jordi Boronat Guest editors Conference photograph Details of the committees are available in the PDF.

Reinholz, Heidi; Boronat, Jordi

2014-08-01

209

Symmetries and self-similarity of many-body wavefunctions

This PhD thesis is dedicated to the study of the interplay between symmetries of quantum states and their self-similar properties. It consists of three connected threads of research: polynomial invariants for multiphoton states, visualization schemes for quantum many-body systems and a complex networks approach to quantum walks on a graph. First, we study the problem of which many-photon states are equivalent up to the action of passive linear optics. We prove that it can be converted into the problem of equivalence of two permutation-symmetric states, not necessarily restricted to the same operation on all parties. We show that the problem can be formulated in terms of symmetries of complex polynomials of many variables, and provide two families of invariants, which are straightforward to compute and provide analytical results. Second, we study a family of recursive visualization schemes for many-particle systems, for which we have coined the name 'qubism'. While all many-qudit states can be plotted with qubism, it is especially useful for spin chains and one-dimensional translationally invariant states. This symmetry results in self-similarity of the plot, making it more comprehensible and allowing to discover certain structures. Third, we study quantum walks of a single particle on graphs, which are classical analogues of random walks. Our focus is on the long-time limit of the probability distribution and we study how (especially in the long-time limit) off-diagonal elements of the density matrix behave. We use them to perform quantum community detection - splitting of a graph into subgraphs in such a way that the coherence between them is small. Our method captures properties that classical methods cannot - the impact of constructive and destructive interference, as well as the dependence of the results on the tunneling phase.

Piotr Migda?

2014-12-21

210

Spatially partitioned many-body vortices

A vortex in Bose-Einstein condensates is a localized object which looks much like a tiny tornado storm. It is well described by mean-field theory. In the present work we go beyond the current paradigm and introduce many-body vortices. These are made of {\\it spatially-partitioned} clouds, carry definite total angular momentum, and are fragmented rather than condensed objects which can only be described beyond mean-field theory. A phase diagram based on a mean-field model assists in predicting the parameters where many-body vortices occur. Implications are briefly discussed.

Shachar Klaiman; Ofir E. Alon

2014-12-14

211

Hybrid quantum systems of atoms and ions

In recent years, ultracold atoms have emerged as an exceptionally controllable experimental system to investigate fundamental physics, ranging from quantum information science to simulations of condensed matter models. Here we go one step further and explore how cold atoms can be combined with other quantum systems to create new quantum hybrids with tailored properties. Coupling atomic quantum many-body states to

Christoph Zipkes; Lothar Ratschbacher; Stefan Palzer; Carlo Sias; Michael Köhl

2011-01-01

212

Many-body characterization of particle-conserving topological superfluids.

What distinguishes trivial superfluids from topological superfluids in interacting many-body systems where the number of particles is conserved? Building on a class of integrable pairing Hamiltonians, we present a number-conserving, interacting variation of the Kitaev model, the Richardson-Gaudin-Kitaev chain, that remains exactly solvable for periodic and antiperiodic boundary conditions. Our model allows us to identify fermion parity switches that distinctively characterize topological superconductivity (fermion superfluidity) in generic interacting many-body systems. Although the Majorana zero modes in this model have only a power-law confinement, we may still define many-body Majorana operators by tuning the flux to a fermion parity switch. We derive a closed-form expression for an interacting topological invariant and show that the transition away from the topological phase is of third order. PMID:25615376

Ortiz, Gerardo; Dukelsky, Jorge; Cobanera, Emilio; Esebbag, Carlos; Beenakker, Carlo

2014-12-31

213

Many-Body Characterization of Particle-Conserving Topological Superfluids

NASA Astrophysics Data System (ADS)

What distinguishes trivial superfluids from topological superfluids in interacting many-body systems where the number of particles is conserved? Building on a class of integrable pairing Hamiltonians, we present a number-conserving, interacting variation of the Kitaev model, the Richardson-Gaudin-Kitaev chain, that remains exactly solvable for periodic and antiperiodic boundary conditions. Our model allows us to identify fermion parity switches that distinctively characterize topological superconductivity (fermion superfluidity) in generic interacting many-body systems. Although the Majorana zero modes in this model have only a power-law confinement, we may still define many-body Majorana operators by tuning the flux to a fermion parity switch. We derive a closed-form expression for an interacting topological invariant and show that the transition away from the topological phase is of third order.

Ortiz, Gerardo; Dukelsky, Jorge; Cobanera, Emilio; Esebbag, Carlos; Beenakker, Carlo

2014-12-01

214

Goldfishing: A new solvable many-body problem

NASA Astrophysics Data System (ADS)

A recent technique allows one to identify and investigate solvable dynamical systems naturally interpretable as classical many-body problems, being characterized by equations of motion of Newtonian type (generally in two-dimensional space). In this paper we tersely review results previously obtained in this manner and present novel findings of this kind: mainly solvable variants of the goldfish many-body model, including models that feature isochronous classes of completely periodic solutions. Different formulations of these models are presented. The behavior of one of these isochronous dynamical systems in the neighborhood of its equilibrium configuration is investigated, and in this manner some remarkable Diophantine findings are obtained.

Bruschi, M.; Calogero, F.

2006-10-01

215

Collective many-body resonances in condensed phase nonlinear spectroscopy

are predicted in the k1 k2 k3 four wave mixing signal for several model systems. © 2002 American InstituteCollective many-body resonances in condensed phase nonlinear spectroscopy Andreas Tortschanoff of Physics. DOI: 10.1063/1.1427721 I. INTRODUCTION The nonlinear optical response of systems with high den

Mukamel, Shaul

216

Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence.

Central spin decoherence caused by nuclear spin baths is often a critical issue in various quantum computing schemes, and it has also been used for sensing single-nuclear spins. Recent theoretical studies suggest that central spin decoherence can act as a probe of many-body physics in spin baths; however, identification and detection of many-body correlations of nuclear spins in nanoscale systems are highly challenging. Here, taking a phosphorus donor electron spin in a (29)Si nuclear spin bath as our model system, we discover both theoretically and experimentally that many-body correlations in nanoscale nuclear spin baths produce identifiable signatures in decoherence of the central spin under multiple-pulse dynamical decoupling control. We demonstrate that under control by an odd or even number of pulses, the central spin decoherence is principally caused by second- or fourth-order nuclear spin correlations, respectively. This study marks an important step toward studying many-body physics using spin qubits. PMID:25205440

Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J L; Liu, Ren-Bao

2014-01-01

217

Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence

Central spin decoherence caused by nuclear spin baths is often a critical issue in various quantum computing schemes, and it has also been used for sensing single-nuclear spins. Recent theoretical studies suggest that central spin decoherence can act as a probe of many-body physics in spin baths; however, identification and detection of many-body correlations of nuclear spins in nanoscale systems are highly challenging. Here, taking a phosphorus donor electron spin in a 29Si nuclear spin bath as our model system, we discover both theoretically and experimentally that many-body correlations in nanoscale nuclear spin baths produce identifiable signatures in decoherence of the central spin under multiple-pulse dynamical decoupling control. We demonstrate that under control by an odd or even number of pulses, the central spin decoherence is principally caused by second- or fourth-order nuclear spin correlations, respectively. This study marks an important step toward studying many-body physics using spin qubits. PMID:25205440

Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J.L.; Liu, Ren-Bao

2014-01-01

218

NASA Astrophysics Data System (ADS)

An analytical solution for the electrostatic energy and potential for a system of charged, polarizable spheres in a dielectric medium is developed from a multiple scattering expansion that is equivalent to a formal solution to Poisson's equation for the system. The leading contributions emerge in the form of effective two-, three-, and four-body interactions that are explicit analytical functions of the sphere positions, charges, and internal dielectric constants and the external dielectric constant, thereby also enabling analytical computation of the electrostatic forces on the ions. Tests of successive terms demonstrate their rapid convergence. Similar methods can be used to evaluate higher order contributions and the expansion for the electrostatic field. The results will prove far more efficient for MD and MC simulations with spherical particles than current approximate methods that require the computation of surface polarization charge distributions but that apply also for systems with complex geometries.

Freed, Karl F.

2014-07-01

219

NASA Astrophysics Data System (ADS)

A substructure for the wheel sets is developed. The problem of relating the substructures to the general body system by the calculation of statistical linearized, generalized force vectors for various linear and nonlinear joining elements is solved. Nonlinear spring and damper connections, Coulomb translation friction dampers, and Coulomb rotation friction dampers are covered. Statistically linearized dynamic connecting elements are modelized. It is shown how the general differential equation system is to be constructed. The iteration process for the determination of the free linearization parameter is presented.

Renger, A.

220

NASA Astrophysics Data System (ADS)

An explicit set of ordinary differential equations that approximately describe the dynamics of many rigid bodies (without any hypothesis on their geometry) inside an ideal fluid is presented. Two applications of these equations are made. At first, it is shown how to use these equations to compute the added-mass tensor of a single body made up of simpler units (like spheres, cylinders, and ellipsoids). Then the hydrodynamic force and torque that a small-amplitude fast oscillating body induces on another body that can freely move in its vicinity is computed. The noticeable result is that if the free body is sufficiently far from the oscillating one then the averaged interaction force is attractive if and only if the density of the free body is larger than the density of the fluid. Finally, computations for a pendulum system are presented. It seems that the latter system is suitable for experimentation.

Ragazzo, Clodoaldo Grotta

2002-05-01

221

The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\\bf 79}, 195117 (2009); Reboredo, {\\it ibid.} {\\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. The method converges to exact eigenstates as the statistical data collected increases if the wave function is sufficiently flexible. A recursive optimization algorithm is derived from the time evolution of the mixed probability density, which is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weight allows the amplitude of the fixed-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [Ortiz, Ceperley and Martin, Phys Rev. Lett. {\\bf 71}, 2777 (1993)]. When used recursively it simultaneously improves the node and the phase. The algorithm is demonstrated to converge to nearly exact solutions of model systems with pe...

Reboredo, Fernando Agustín

2010-01-01

222

The many-body physics of composite bosons

NASA Astrophysics Data System (ADS)

Since, up to now existing many-body theories for quantum particles were restricted to elementary fermions or elementary bosons, the treatment of interactions between composite quantum particles was only approximate. The many-body theory we describe in this Report thus constitutes a significant advance as it allows us to treat composite bosons made of two fermions as an entity, while dealing with their underlying fermionic components exactly. Pauli exclusion principle between fermions of two composite bosons appears through a set of dimensionless “Pauli scatterings” which correspond to fermion exchanges between composite bosons, in the absence of fermion interaction. In addition to these Pauli scatterings, composite bosons also have “interaction scatterings” in which composite bosons interact through the bare interactions of their elementary fermions, in the absence of fermion exchange. These two scatterings formally appear through a set of four commutators. They allow us to write any physical quantity dealing with N composite bosons in terms of these two scatterings. To visualize the physical processes which take place between composite bosons, new diagrams have been constructed. These are called “Shiva diagrams”. They explicitly show all possible fermion exchanges taking place between any number N?2 of composite bosons: this is reasonable since the Pauli exclusion principle from which they originate is N-body in essence. Shiva diagrams also are quite valuable as they allow us to readily calculate any many-body effect between N composite bosons. While these ideas can be extended to more complicated composite quantum particles, in particular to composite fermions, the present work concentrates on composite bosons made of two fermions. Up to now, we have mostly used this formalism to study semiconductor excitons: along with hydrogen atoms, excitons are the simplest of all composite bosons - just one electron and one hole with Coulomb interaction. The end of this report is dedicated to several problems dealing with excitons, to highlight how this new many-body theory can be used in practice.

Combescot, Monique; Betbeder-Matibet, Odile; Dubin, François

2008-07-01

223

The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\\bf 79}, 195117 (2009), Reboredo, {\\it ibid.} {\\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. A recursive optimization algorithm is derived from the time evolution of the mixed probability density. The mixed probability density is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weigh allows the amplitude of the fix-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [Ortiz, Ceperley and Martin Phys Rev. Lett. {\\bf 71}, 2777 (1993)]. When used recursively it improves simultaneously the node and phase. The algorithm is demonstrated to converge to the nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The method is also applied to obtain low energy excitations with magnetic field or periodic boundary conditions. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed.

Reboredo, Fernando A [ORNL

2012-01-01

224

Solving the many body pairing problem through Monte Carlo methods

NASA Astrophysics Data System (ADS)

Nuclear superconductivity is a central part of quantum many-body dynamics. In mesoscopic systems such as atomic nuclei, this phenomenon is influenced by shell effects, mean-field deformation, particle decay, and by other collective and chaotic components of nucleon motion. The ability to find an exact solution to these pairing correlations is of particular importance. In this presentation we develop and investigate the effectiveness of different methods of attacking the nucleon pairing problem in nuclei. In particular, we concentrate on the Monte Carlo approach. We review the configuration space Monte Carlo techniques, the Suzuki-Trotter breakup of the time evolution operator, and treatment of the pairing problem with non-constant matrix elements. The quasi-spin symmetry allows for a mapping of the pairing problem onto a problem of interacting spins which in turn can be solved using a Monte Carlo approach. The algorithms are investigated for convergence to the true ground state of model systems and calculated ground state energies are compared to those found by an exact diagonalization method. The possibility to include other non-pairing interaction components of the Hamiltonian is also investigated.

Lingle, Mark; Volya, Alexander

2012-03-01

225

The author presents this article in the volume, dedicated to the 70th birthday of Academician S. T. Belyaev. He has known him personally since 1961 and admires his profound contributions to the theory of Bose-liquids, to the theory of superconductivity of atomic nuclei and some other important scientific works. Belyaev is well known also as an organizer of science and education. For years he was, and is still the Chairman of the Synchrotron Radiation Commission of the Russian Academy of Science, a body which was established long ago to promote construction of high intensity light sources, and technological as well as scientific research using this light. One of the important directions of this study is investigation of photoabsorbtion by multielectron atoms in order to obtain information about their structure.

Amusia, M.Ya. [Argonne National Lab., IL (United States)]|[A.F. Ioffe Physical-Technical Institute, St. Petersburg (Russian Federation)

1995-01-01

226

A family of many-body models which are exactly solvable analytically

We present a family of many-body models which are exactly solvable analytically. The models are an extended n-body interaction Lipkin-Meshkov-Glick model which considers spin-flip terms which are associated with the interaction of an external classical field which coherently manipulates the state of the system in order to, for example, process quantum information. The models also describe a two-mode Bose-Einstein condensate with a Josephson-type interaction which includes n-particle elastic and inelastic collisions. One of the models corresponds to the canonical two-mode Bose-Einstein Hamitonian plus a term which we argue must be considered in the description of the two-mode condensate. Intriguingly, this extra term allows for an exact and analytical solution of the two-particle collision two-mode BEC problem. Our results open up an arena to study many-body system properties analytically.

I. Fuentes-Schuller; P. Barberis-Blostein

2006-07-27

227

Non-equilibrium many body dynamics

This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

Creutz, M.; Gyulassy, M.

1997-09-22

228

Recent Progress in Many-Body Theories: Proceedings of the 12th International Conference

NASA Astrophysics Data System (ADS)

Preface -- International advisory committee -- Feenberg medal session. Surface and superconductivity / L. P. Gor'kov. Spartak T. Belyaev - recipient of the Feenberg Medal / V. Zelevinsky. Many-body physics and spontaneous symmetry breaking / S. T. Belyaev -- Keynote speaker. The future lies ahead / P. W. Anderson -- Strongly correlated systems and phase transitions. Exact results for many-body problems using few-body methods / J. Cardy. Quantum matters: physics beyond Landau's paradigms / T. Senthil. Microscopic calculations of quantum phase transitions in frustrated magnetic lattices / R. F. Bishop & S. E. Krüger. Recent applications of the DMRG method / K. Hallberg. Functional renormalization group in the 2D Hubbard model / C. Honerkamp. Quantum phase transitions and event horizons: condensed matter analogies / G. Chapline. Spin-charge separation and topological phase transitions in Aharnov-Bohm rings of interacting electrons / B. Normand ... [et al.] -- Quantum fluids and solids. Two-particle-two-hole excitations in [symbol]He / E. Krotscheck, H. M. Böhm & K. Schörkhuber. Monolayer charged quantum films: a quantum simulation study / K. Wierschem & E. Manousakis. Can inconmensuration stabilize a superfluid phase of para-hydrogen? / M. Boninsegni. Analysis of the interatomic potential of the helium systems / S. Ujevic & S. A. Vitiello -- Nuclear physics and QCD. Quantum phase transitions in mesoscopic systems / F. Iachello. Nuclear-structure theory in the search for new fundamental physics / J. Engel. Matter at extreme density and its role in neutron stars and supernova / S. Reddy. New approaches to strong coupling lattice QCD / S. Chandrasekharan. Nuclear interactions from the renormalization group / A. Schwenk. Random interactions and ground state spin of finite Fermi systems / V. Zelevinsky & A. Volya -- Cold atoms and quantum information. Superfluid regimes in degenerate atomic fermi gases / G. V. Shlyapnikov. Bosons in optical lattices / S. L. Rolston. Generalized entanglement and quantum phase transitions / R. Somma ... [et al.]. Ground state of many-body lattice systems via a central limit theorem / C. Presilla & M. Ostilli. Effects of a single quantum spin on Josephson oscillations / M. Hru\\vska ... [et al.] -- Complex systems. Spin textures and random fields in dirty quantum hall ferromagnets / J. T. Chalker. Dissipative quantum disordered models / L. F. Cugliandolo. Possibly exact solution for the multicritical point of finite-dimensional spin glasses / H. Nishimori, K. Takeda & T. Sasamoto. From statistical physics methods to algorithms / D. Battaglia, M. Kola? & R. Zecchina.

Carlson, Joseph A.; Ortiz, Gerardo

2006-07-01

229

On the simulation of indistinguishable fermions in the many-body Wigner formalism

NASA Astrophysics Data System (ADS)

The simulation of quantum systems consisting of interacting, indistinguishable fermions is an incredible mathematical problem which poses formidable numerical challenges. Many sophisticated methods addressing this problem are available which are based on the many-body Schrödinger formalism. Recently a Monte Carlo technique for the resolution of the many-body Wigner equation has been introduced and successfully applied to the simulation of distinguishable, spinless particles. This numerical approach presents several advantages over other methods. Indeed, it is based on an intuitive formalism in which quantum systems are described in terms of a quasi-distribution function, and highly scalable due to its Monte Carlo nature. In this work, we extend the many-body Wigner Monte Carlo method to the simulation of indistinguishable fermions. To this end, we first show how fermions are incorporated into the Wigner formalism. Then we demonstrate that the Pauli exclusion principle is intrinsic to the formalism. As a matter of fact, a numerical simulation of two strongly interacting fermions (electrons) is performed which clearly shows the appearance of a Fermi (or exchange-correlation) hole in the phase-space, a clear signature of the presence of the Pauli principle. To conclude, we simulate 4, 8 and 16 non-interacting fermions, isolated in a closed box, and show that, as the number of fermions increases, we gradually recover the Fermi-Dirac statistics, a clear proof of the reliability of our proposed method for the treatment of indistinguishable particles.

Sellier, J. M.; Dimov, I.

2015-01-01

230

Many-body effect in an artificial atom

NASA Astrophysics Data System (ADS)

Atomic-like properties of vertical quantum dots are studied by measuring Coulomb oscillations. The Coulomb oscillations in the linear transport regime become irregular in period, reflecting a shell structure and the obedience to Hund’s rule, as the number of electrons in the dot approaches zero. Under a high magnetic field, many-body effects become important, and we observe kink structures in the few-electron regime in the Coulomb oscillation peak positions versus the magnetic field. The kink structures are well assigned to transition in spin and angular momentum states, which we predict by the exact diagonalization approach.

Tokura, Y.; Kouwenhoven, L. P.; Austing, D. G.; Tarucha, S.

1998-05-01

231

Observation of coherent quench dynamics in a metallic many-body state of fermionic atoms

NASA Astrophysics Data System (ADS)

Quantum simulation with ultracold atoms has become a powerful technique to gain insight into interacting many-body systems. In particular, the possibility to study nonequilibrium dynamics offers a unique pathway to understand correlations and excitations in strongly interacting quantum matter. So far, coherent nonequilibrium dynamics has exclusively been observed in ultracold many-body systems of bosonic atoms. Here we report on the observation of coherent quench dynamics of fermionic atoms. A metallic state of ultracold spin-polarized fermions is prepared along with a Bose-Einstein condensate in a shallow three-dimensional optical lattice. After a quench that suppresses tunnelling between lattice sites for both the fermions and the bosons, we observe long-lived coherent oscillations in the fermionic momentum distribution, with a period that is determined solely by the Fermi-Bose interaction energy. Our results show that coherent quench dynamics can serve as a sensitive probe for correlations in delocalized fermionic quantum states and for quantum metrology.

Will, Sebastian; Iyer, Deepak; Rigol, Marcos

2015-01-01

232

High precision framework for Chaos Many-Body Engine

In this paper we present a C# 4.0 high precision framework for simulation of relativistic many-body systems. In order to benefit from, previously developed, chaos analysis instruments, all new modules were designed to be integrated with Chaos Many-Body Engine [1,3]. As a direct application, we used 46 digits precision for analyzing the Butterfly Effect of the gravitational force in a specific relativistic nuclear collision toy-model. Trying to investigate the average Lyapunov Exponent dependency on the incident momentum, an interesting case of intermittency was noticed. Based on the same framework, other high-precision simulations are currently in progress (e.g. study on the possibility of considering, hard to detect, extremely low frequency photons as one of the dark matter components).

I. V. Grossu; C. Besliu; D. Felea; Al. Jipa

2013-12-15

233

Purification and many-body localization in cold atomic gases.

We propose to observe many-body localization in cold atomic gases by realizing a Bose-Hubbard chain with binary disorder and studying its nonequilibrium dynamics. In particular, we show that measuring the difference in occupation between even and odd sites, starting from a prepared density-wave state, provides clear signatures of localization. Furthermore, we confirm as hallmarks of the many-body localized phase a logarithmic increase of the entanglement entropy in time and Poissonian level statistics. Our numerical density-matrix renormalization group calculations for infinite system size are based on a purification approach; this allows us to perform the disorder average exactly, thus producing data without any statistical noise and with maximal simulation times of up to a factor 10 longer than in the clean case. PMID:25479517

Andraschko, Felix; Enss, Tilman; Sirker, Jesko

2014-11-21

234

Many-body Landau-Zener dynamics in coupled one-dimensional Bose liquids

NASA Astrophysics Data System (ADS)

The Landau-Zener model of a quantum mechanical two-level system driven with a linearly time-dependent detuning has served over decades as a textbook model of quantum dynamics. In their seminal work, Landau and Zener derived a non-perturbative prediction for the transition probability between two states, which often serves as a reference point for the analysis of more complex systems. A particularly intriguing question is whether that framework can be extended to describe many-body quantum dynamics. Here we report an experimental and theoretical study of a system of ultracold atoms, offering a direct many-body generalization of the Landau-Zener problem. In a system of pairwise tunnel-coupled one-dimensional (1D) Bose liquids we show how tuning the correlations of the 1D gases and the tunnel coupling between the tubes strongly modify the original Landau-Zener picture. The results are explained using a mean-field description of the inter-tube condensate wavefunction, coupled to the low-energy phonons of the 1D Bose liquid.

Chen, Yu-Ao; Huber, Sebastian D.; Trotzky, Stefan; Bloch, Immanuel; Altman, Ehud

2011-01-01

235

Many-body effects in magnetic inelastic electron tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Magnetic inelastic electron tunneling spectroscopy (IETS) shows sharp increases in conductance when a new conductance channel associated with a change in magnetic structure is open. Typically, the magnetic moment carried by an adsorbate can be changed by collision with a tunneling electron; in this process the spin of the electron can flip or not. A previous one-electron theory [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.103.176601 103, 176601 (2009)] successfully explained both the conductance thresholds and the magnitude of the conductance variation. The elastic spin flip of conduction electrons by a magnetic impurity leads to the well-known Kondo effect. In the present work, we compare the theoretical predictions for inelastic magnetic tunneling obtained with a one-electron approach and with a many-body theory including Kondo-like phenomena. We apply our theories to a singlet-triplet transition model system that contains most of the characteristics revealed in magnetic IETS. We use two self-consistent treatments (noncrossing approximation and self-consistent ladder approximation). We show that, although the one-electron limit is properly recovered, new intrinsic many-body features appear. In particular, sharp peaks appear close to the inelastic thresholds; these are not localized exactly at thresholds and could influence the determination of magnetic structures from IETS experiments. Analysis of the evolution with temperature reveals that these many-body features involve an energy scale different from that of the usual Kondo peaks. Indeed, the many-body features perdure at temperatures much larger than the one given by the Kondo energy scale of the system.

Korytár, Richard; Lorente, Nicolás; Gauyacq, Jean-Pierre

2012-03-01

236

Diabatic-ramping spectroscopy of many-body excited states

NASA Astrophysics Data System (ADS)

Due to the experimental time constraints of state of the art quantum simulations, the direct preparation of the ground state by adiabatically ramping the field of a transverse-field Ising model becomes more and more difficult as the number of particles increase. We propose a spectroscopy protocol that intentionally creates excitations through diabatic ramping and measures a low-noise observable as a function of time for a constant Hamiltonian to reveal the structure of the coherent dynamics of the resulting many-body states. To simulate experimental data, noise from counting statistics and decoherence error are added. Compressive sensing is then applied to Fourier transform the simulated data into the frequency domain and extract the low-lying energy excitation spectrum. By using compressive sensing, the amount of data in time needed to extract this energy spectrum is sharply reduced, making such experiments feasible with current technology in, for example, ion trap quantum simulators.

Yoshimura, Bryce; Campbell, W. C.; Freericks, J. K.

2014-12-01

237

Machine learning for many-body physics: The case of the Anderson impurity model

NASA Astrophysics Data System (ADS)

Machine learning methods are applied to finding the Green's function of the Anderson impurity model, a basic model system of quantum many-body condensed-matter physics. Different methods of parametrizing the Green's function are investigated; a representation in terms of Legendre polynomials is found to be superior due to its limited number of coefficients and its applicability to state of the art methods of solution. The dependence of the errors on the size of the training set is determined. The results indicate that a machine learning approach to dynamical mean-field theory may be feasible.

Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Millis, Andrew J.

2014-10-01

238

Quantum simulations with 8?8?Sr+? ions on planar lattice traps

Quantum simulations are the use of well controlled many-body quantum systems to simulate and solve other many-body quantum systems that are not understood. This thesis describes theoretical proposals and experimental ...

Lin, Ziliang (Ziliang Carter)

2008-01-01

239

Many-Body Cavity QED Jonas Larson

& Raimond, Exploting the Quantum (OUP). Jaynes-Cummings physics #12;Cavity QED Jaynes-Cummings Hamiltonian). Jaynes-Cummings physics Field energy Atomic energy Interaction energy #12;Cavity QED Vacuum Rabi splitting, 0Â± = Â± (= 0) 8 Jaynes-Cummings physics Schoelkopf & Girvin, Nature 451 (2008). #12;Cavity QED

240

NASA Astrophysics Data System (ADS)

In the spectrum of many-body quantum systems appearing in condensed matter physics, the low-energy eigenstates were the traditional focus of research. The interest in the statistical properties of the full eigenspectrum has grown more recently, in particular in the context of non-equilibrium questions. Wave functions of interacting lattice quantum systems can be characterized either by local observables or by global properties such as the participation ratio (PR) in a many-body basis or the entanglement between various partitions. We present a study of the PR and of the entanglement entropy (EE) between two roughly equal spatial partitions of the system, in all the eigenfunctions of local Hamiltonians. Motivated by the similarity of the PR and EE—both are generically larger in the bulk and smaller near the edges of the spectrum—we quantitatively analyze the correlation between them. We elucidate the effect of (proximity to) integrability, showing how low-entanglement and low-PR states appear also in the middle of the spectrum as one approaches integrable points. We also determine the precise scaling behaviour of the eigenstate-to-eigenstate fluctuations of the PR and EE with respect to system size and characterize the statistical distribution of these quantities near the middle of the spectrum.

Beugeling, W.; Andreanov, A.; Haque, Masudul

2015-02-01

241

Hybrid quantum systems of atoms and ions

In recent years, ultracold atoms have emerged as an exceptionally\\u000acontrollable experimental system to investigate fundamental physics, ranging\\u000afrom quantum information science to simulations of condensed matter models.\\u000aHere we go one step further and explore how cold atoms can be combined with\\u000aother quantum systems to create new quantum hybrids with tailored properties.\\u000aCoupling atomic quantum many-body states to

Christoph Zipkes; Lothar Ratschbacher; Stefan Palzer; Carlo Sias; Michael Köhl

2010-01-01

242

Many-Body Perturbation Theory Lucia Reining, Fabien Bruneval

Many-Body Perturbation Theory Lucia Reining, Fabien Bruneval Laboratoire des Solides Irradi.6.2007 Many-Body Perturbation Theory Lucia Reining #12;Reminder PT EoM HF Screening Outline 1 Reminder 2 Perturbation Theory 3 Equation of Motion 4 Hartree Fock 5 Screened Equations Many-Body Perturbation Theory

Botti, Silvana

243

Fate of dynamical many-body localization in the presence of disorder

NASA Astrophysics Data System (ADS)

Dynamical localization is one of the most startling manifestations of quantum interference, where the evolution of a simple system is frozen out under a suitably tuned coherent periodic drive. Here we show that, although any randomness in the interactions of a many-body system kills dynamical localization eventually, spectacular remnants survive even when the disorder is strong. We consider a disordered quantum Ising chain where the transverse magnetization relaxes exponentially with time with a decay time-scale ? due to random longitudinal interactions between the spins. We show that, under external periodic drive, this relaxation slows down (? shoots up) by orders of magnitude as the ratio of the drive frequency ? and amplitude h0 tends to certain specific values (the freezing condition). If ? is increased while maintaining the ratio h0/? at a fixed freezing value, then ? diverges exponentially with ? . The results can be easily extended for a larger family of disordered fermionic and bosonic systems.

Roy, Analabha; Das, Arnab

2015-03-01

244

The fate of dynamical many-body localization in the presence of disorder

Dynamical localization is one of the most startling manifestations of quantum interference, where the evolution of a simple system is frozen out under a suitably tuned coherent periodic drive. Here, we show that, although any randomness in the interactions of a many body system kills dynamical localization eventually, spectacular remnants survive even when the disorder is strong. We consider a disordered quantum Ising chain where the transverse magnetization relaxes exponentially with time with a decay time-scale $\\tau$ due to random longitudinal interactions between the spins. We show that, under external periodic drive, this relaxation slows down ($\\tau$ shoots up) by orders of magnitude as the ratio of the drive frequency $\\omega$ and amplitude $h_{0}$ tends to certain specific values (the freezing condition). If $\\omega$ is increased while maintaining the ratio $h_0/\\omega$ at a fixed freezing value, then $\\tau$ diverges exponentially with $\\omega.$ The results can be easily extended for a larger family of disordered fermionic and bosonic systems.

Analabha Roy; Arnab Das

2015-03-02

245

Charge optimized many-body potential for aluminum.

An interatomic potential for Al is developed within the third generation of the charge optimized many-body (COMB3) formalism. The database used for the parameterization of the potential consists of experimental data and the results of first-principles and quantum chemical calculations. The potential exhibits reasonable agreement with cohesive energy, lattice parameters, elastic constants, bulk and shear modulus, surface energies, stacking fault energies, point defect formation energies, and the phase order of metallic Al from experiments and density functional theory. In addition, the predicted phonon dispersion is in good agreement with the experimental data and first-principles calculations. Importantly for the prediction of the mechanical behavior, the unstable stacking fault energetics along the [Formula: see text] direction on the (1?1?1) plane are similar to those obtained from first-principles calculations. The polycrsytal when strained shows responses that are physical and the overall behavior is consistent with experimental observations. PMID:25407244

Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; Lu, Zizhe; Goyal, Anuj; Phillpot, Simon R; Sinnott, Susan B

2015-01-14

246

Many-body procedure for energy-dependent perturbation: Merging many-body perturbation theory-body perturbation theory MBPT , previously indicated in our recent review articles Lindgren et al., Phys. Rep. 389 What is commonly known as many-body perturbation theory MBPT is a class of perturbative schemes

Lindgren, Ingvar

247

The self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo J. Chem. Phys. {\\bf 136}, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. {\\bf 89}, 6316 (1988)] are blended to obtain a method for the calculation of thermodynamic properties of many-body systems at low temperatures. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric trial wave functions. A statistical method is derived for the calculation of finite temperature properties of many-body systems near the ground state. In the process we also obtain a parallel algorithm that optimizes the many-body basis of a small subspace of the many-body Hilbert space. This small subspace is optimized to have maximum overlap with the one expanded by the lower energy eigenstates of a many-body Hamiltonian. We show in a model system that the Helmholtz free energy is minimized within this subspace as the iteration number increases. We show that the subspace expanded by the small basis systematically converges towards the subspace expanded by the lowest energy eigenstates. Possible applications of this method to calculate the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can be also used to accelerate the calculation of the ground or excited states with Quantum Monte Carlo.

Kim, Jeongnim [ORNL] [ORNL; Reboredo, Fernando A [ORNL] [ORNL

2014-01-01

248

The influence of many-body effects on the gain and linewidth of semiconductor lasers

We employ quantum-mechanical many-body theory to determine both the radiative recombination spectra and the linewidth broadening factor in III-V semiconductor diode lasers. We conclude correlation effects and the full /ital k/ /center dot/ /ital p/ band structure in our calculation. Our results clearly illustrate the manner in which many-body effects relax momentum conservation in the recombination process.

Bardyszewski, W.; Yevick, D.

1989-07-15

249

Constructing local integrals of motion in the many-body localized phase

NASA Astrophysics Data System (ADS)

Many-body localization provides a generic mechanism of ergodicity breaking in quantum systems. In contrast to conventional ergodic systems, many-body-localized (MBL) systems are characterized by extensively many local integrals of motion (LIOM), which underlie the absence of transport and thermalization in these systems. Here we report a physically motivated construction of local integrals of motion in the MBL phase. We show that any local operator (e.g., a local particle number or a spin-flip operator), evolved with the system's Hamiltonian and averaged over time, becomes a LIOM in the MBL phase. Such operators have a clear physical meaning, describing the response of the MBL system to a local perturbation. In particular, when a local operator represents a density of some globally conserved quantity, the corresponding LIOM describes how this conserved quantity propagates through the MBL phase. Being uniquely defined and experimentally measurable, these LIOMs provide a natural tool for characterizing the properties of the MBL phase, in both experiments and numerical simulations. We demonstrate the latter by numerically constructing an extensive set of LIOMs in the MBL phase of a disordered spin-chain model. We show that the resulting LIOMs are quasilocal and use their decay to extract the localization length and establish the location of the transition between the MBL and ergodic phases.

Chandran, Anushya; Kim, Isaac H.; Vidal, Guifre; Abanin, Dmitry A.

2015-02-01

250

The use of many-body expansions and geometry optimizations in fragment-based methods.

Conspectus Chemists routinely work with complex molecular systems: solutions, biochemical molecules, and amorphous and composite materials provide some typical examples. The questions one often asks are what are the driving forces for a chemical phenomenon? How reasonable are our views of chemical systems in terms of subunits, such as functional groups and individual molecules? How can one quantify the difference in physicochemical properties of functional units found in a different chemical environment? Are various effects on functional units in molecular systems additive? Can they be represented by pairwise potentials? Are there effects that cannot be represented in a simple picture of pairwise interactions? How can we obtain quantitative values for these effects? Many of these questions can be formulated in the language of many-body effects. They quantify the properties of subunits (fragments), referred to as one-body properties, pairwise interactions (two-body properties), couplings of two-body interactions described by three-body properties, and so on. By introducing the notion of fragments in the framework of quantum chemistry, one obtains two immense benefits: (a) chemists can finally relate to quantum chemistry, which now speaks their language, by discussing chemically interesting subunits and their interactions and (b) calculations become much faster due to a reduced computational scaling. For instance, the somewhat academic sounding question of the importance of three-body effects in water clusters is actually another way of asking how two hydrogen bonds affect each other, when they involve three water molecules. One aspect of this is the many-body charge transfer (CT), because the charge transfers in the two hydrogen bonds are coupled to each other (not independent). In this work, we provide a generalized view on the use of many-body expansions in fragment-based methods, focusing on the general aspects of the property expansion and a contraction of a many-body expansion in a formally two-body series, as exemplified in the development of the fragment molecular orbital (FMO) method. Fragment-based methods have been very successful in delivering the properties of fragments, as well as the fragment interactions, providing insights into complex chemical processes in large molecular systems. We briefly review geometry optimizations performed with fragment-based methods and present an efficient geometry optimization method based on the combination of FMO with molecular mechanics (MM), applied to the complex of a subunit of protein kinase 2 (CK2) with a ligand. FMO results are discussed in comparison with experimental and MM-optimized structures. PMID:25144610

Fedorov, Dmitri G; Asada, Naoya; Nakanishi, Isao; Kitaura, Kazuo

2014-09-16

251

No-go theorem for one-way quantum computing on naturally occurring two-level systems

The ground states of some many-body quantum systems can serve as resource states for the one-way quantum computing model, achieving the full power of quantum computation. Such resource states are found, for example, in ...

Chen, Jianxin

252

Quantum chaotic system as a model of decohering environment

As a model of decohering environment, we show that quantum chaotic system behave equivalently as many-body system. An approximate formula for the time evolution of the reduced density matrix of a system interacting with a quantum chaotic environment is derived. This theoretical formulation is substantiated by the numerical study of decoherence of two qubits interacting with a quantum chaotic environment modeled by a chaotic kicked top. Like the many-body model of environment, the quantum chaotic system is efficient decoherer, and it can generate entanglement between the two qubits which have no direct interaction.

Jayendra N. Bandyopadhyay

2009-04-24

253

High precision module for Chaos Many-Body Engine

In this paper we present a C# high precision relativistic many-body module integrated with Chaos Many-Body Engine. As a direct application, we used it for estimating the butterfly effect involved by the gravitational force in a specific nuclear relativistic collision toy-model.

Grossu, I V; Felea, D; Jipa, Al

2014-01-01

254

Including many-body effects in models for ionic liquids

Realistic modeling of ionic systems necessitates taking explicitly account of many-body effects. In molecular dynamics simulations, it is possible to introduce explicitly these effects through the use of additional degrees of freedom. Here we present two models: The first one only includes dipole polarization effect, while the second also accounts for quadrupole polarization as well as the effects of compression and deformation of an ion by its immediate coordination environment. All the parameters involved in these models are extracted from first-principles density functional theory calculations. This step is routinely done through an extended force-matching procedure, which has proven to be very succesfull for molten oxides and molten fluorides. Recent developments based on the use of localized orbitals can be used to complement the force-matching procedure by allowing for the direct calculations of several parameters such as the individual polarizabilities.

Salanne, Mathieu; Jahn, Sandro; Vuilleumier, Rodolphe; Simon, Christian; Madden, Paul A; 10.1007/s00214-012-1143-9

2012-01-01

255

Spin excitations in solids from many-body perturbation theory.

Collective spin excitations form a fundamental class of excitations in magnetic materials. As their energy reaches down to only a few meV, they are present at all temperatures and substantially influence the properties of magnetic systems. To study the spin excitations in solids from first principles, we have developed a computational scheme based on many-body perturbation theory within the full-potential linearized augmented plane-wave (FLAPW) method. The main quantity of interest is the dynamical transverse spin susceptibility or magnetic response function, from which magnetic excitations, including single-particle spin-flip Stoner excitations and collective spin-wave modes as well as their lifetimes, can be obtained. In order to describe spin waves we include appropriate vertex corrections in the form of a multiple-scattering T matrix, which describes the coupling of electrons and holes with different spins. The electron-hole interaction incorporates the screening of the many-body system within the random-phase approximation. To reduce the numerical cost in evaluating the four-point T matrix, we exploit a transformation to maximally localized Wannier functions that takes advantage of the short spatial range of electronic correlation in the partially filled d or f orbitals of magnetic materials. The theory and the implementation are discussed in detail. In particular, we show how the magnetic response function can be evaluated for arbitrary k points. This enables the calculation of smooth dispersion curves, allowing one to study fine details in the k dependence of the spin-wave spectra. We also demonstrate how spatial and time-reversal symmetry can be exploited to accelerate substantially the computation of the four-point quantities. As an illustration, we present spin-wave spectra and dispersions for the elementary ferromagnet bcc Fe, B2-type tetragonal FeCo, and CrO? calculated with our scheme. The results are in good agreement with available experimental data. PMID:24577607

Friedrich, Christoph; Sa??o?lu, Ersoy; Müller, Mathias; Schindlmayr, Arno; Blügel, Stefan

2014-01-01

256

The Nonequilibrium Many-Body Problem as a paradigm for extreme data science

Generating big data pervades much of physics. But some problems, which we call extreme data problems, are too large to be treated within big data science. The nonequilibrium quantum many-body problem on a lattice is just such a problem, where the Hilbert space grows exponentially with system size and rapidly becomes too large to fit on any computer (and can be effectively thought of as an infinite-sized data set). Nevertheless, much progress has been made with computational methods on this problem, which serve as a paradigm for how one can approach and attack extreme data problems. In addition, viewing these physics problems from a computer-science perspective leads to new approaches that can be tried to solve them more accurately and for longer times. We review a number of these different ideas here.

J. K. Freericks; B. K. Nikolic; O. Frieder

2014-12-09

257

Simulability and regularity of complex quantum systems

We show that the transition from regular to chaotic spectral statistics in interacting many-body quantum systems has an unambiguous signature in the distribution of Schmidt coefficients dynamically generated from a generic initial state, and thus limits the efficiency of the t-DMRG algorithm.

Hannah Venzl; Andrew J. Daley; Florian Mintert; Andreas Buchleitner

2008-08-28

258

Many-body transitions in a single molecule visualized by scanning tunnelling microscopy

NASA Astrophysics Data System (ADS)

Many-body effects arise from the collective behaviour of large numbers of interacting particles, for example, electrons, and the properties of such a system cannot be understood considering only single or non-interacting particles. Despite the generality of the many-body picture, there are only a few examples of experimentally observing such effects in molecular systems. Measurements of the local density of states of single molecules by scanning tunnelling spectroscopy is usually interpreted in terms of single-particle molecular orbitals. Here, we show that the simple single-particle picture fails qualitatively to account for the resonances in the tunnelling spectra of different charge states of cobalt phthalocyanine molecules. Instead, these resonances can be understood as a series of many-body excitations of the different ground states of the molecule. Our theoretical approach opens an accessible route beyond the single-particle picture in quantifying many-body states in molecules.

Schulz, Fabian; Ijäs, Mari; Drost, Robert; Hämäläinen, Sampsa K.; Harju, Ari; Seitsonen, Ari P.; Liljeroth, Peter

2015-03-01

259

Matter wave optical techniques for probing many-body targets

This thesis reports on our investigation of the uses of matter waves to probe many-body targets. We begin by discussing decoherence in an atom interferometer, in which a free gas acts as a refractive medium for a matter ...

Sanders, Scott Nicholas

2010-01-01

260

Investigation of many-body forces in krypton and xenon

The simplicity of the state dependence at relatively high temperatures ofthe many-body potential contribution to the pressure and energy has been pointed out previously (J. Ram and P. A. Egelstaff, J. Phys. Chem. Liq. 14, 29 (1984); A. Teitsima and P. A. Egelstaff, Phys. Rev. A 21, 367 (1980)). In this paper, we investigate how far these many-body potential terms may be represented by simple models in the case of krypton on the 423-, 273-, 190-, and 150-K isotherms, and xenon on the 170-, 210-, and 270-K isotherms. At the higher temperatures the best agreement is found for the mean-field type of theory, and some consequences are pointed out. On the lower isotherms a state point is found where the many-body energy vanishes, and large departures from mean-field behavior are observed. This is attributed to the influence of short-ranged many-body forces.

Salacuse, J.J.; Egelstaff, P.A.

1988-10-15

261

Many-body Rabi oscillations of Rydberg excitation in small mesoscopic samples

We investigate the collective aspects of Rydberg excitation in ultracold mesoscopic systems. Strong interactions between Rydberg atoms influence the excitation process and impose correlations between excited atoms. The manifestations of the collective behavior of Rydberg excitation are the many-body Rabi oscillations, spatial correlations between atoms as well as the fluctuations of the number of excited atoms. We study these phenomena in detail by numerically solving the many-body Schr\\"edinger equation.

J. Stanojevic; R. Côté

2008-01-15

262

Communication: Random phase approximation renormalized many-body perturbation theory.

We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations. PMID:24206280

Bates, Jefferson E; Furche, Filipp

2013-11-01

263

Communication: Random phase approximation renormalized many-body perturbation theory

We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations.

Bates, Jefferson E.; Furche, Filipp, E-mail: filipp.furche@uci.edu [Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, California 92697-2025 (United States)] [Department of Chemistry, University of California, Irvine, 1102 Natural Sciences II, Irvine, California 92697-2025 (United States)

2013-11-07

264

Stochastic many-body perturbation theory for anharmonic molecular vibrations.

A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm(-1) and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects. PMID:25173003

Hermes, Matthew R; Hirata, So

2014-08-28

265

Stochastic many-body perturbation theory for anharmonic molecular vibrations

NASA Astrophysics Data System (ADS)

A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm-1 and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.

Hermes, Matthew R.; Hirata, So

2014-08-01

266

Short History of Nuclear Many-Body Problem

This is a very short presentation regarding developments in the theory of nuclear many-body problems, as seen and experienced by the author during the past 60 years with particular emphasis on the contributions of Gerry Brown and his research-group. Much of his work was based on Brueckner's formulation of the nuclear many-body problem. It is reviewed briefly together with the Moszkowski-Scott separation method that was an important part of his early work. The core-polarisation and his work related to effective interactions in general are also addressed.

H. S. Köhler

2014-05-02

267

Observing CP Violation in Many-Body Decays

It is well known that observing CP violation in many-body decays could provide strong evidence for physics beyond the Standard Model. Many searches have been carried out; however, no 5sigma evidence for CP violation has yet been found in these types of decays. A novel model-independent method for observing CP violation in many-body decays is presented in this paper. It is shown that the sensitivity of this method is significantly larger than those used to-date.

Mike Williams

2011-05-26

268

Approximating many-body induction to efficiently describe molecular liquids

Approximating many-body induction to efficiently describe molecular liquids and clusters induction in order to improve the accuracy of existing potentials and improve the efficiency of ab initio methods in order to allow "on-the-fly" energy and force evaluations in dynamical calculations

Herbert, John

269

A statistical method is derived for the calculation of thermodynamic properties of many-body systems at low temperatures. This method is based on the self-healing diffusion Monte Carlo method for complex functions [F. A. Reboredo, J. Chem. Phys. 136, 204101 (2012)] and some ideas of the correlation function Monte Carlo approach [D. M. Ceperley and B. Bernu, J. Chem. Phys. 89, 6316 (1988)]. In order to allow the evolution in imaginary time to describe the density matrix, we remove the fixed-node restriction using complex antisymmetric guiding wave functions. In the process we obtain a parallel algorithm that optimizes a small subspace of the many-body Hilbert space to provide maximum overlap with the subspace spanned by the lowest-energy eigenstates of a many-body Hamiltonian. We show in a model system that the partition function is progressively maximized within this subspace. We show that the subspace spanned by the small basis systematically converges towards the subspace spanned by the lowest energy eigenstates. Possible applications of this method for calculating the thermodynamic properties of many-body systems near the ground state are discussed. The resulting basis can also be used to accelerate the calculation of the ground or excited states with quantum Monte Carlo.

Reboredo, Fernando A.; Kim, Jeongnim [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)] [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

2014-02-21

270

Analytic second derivatives in high-order many-body perturbation and coupled-cluster theories

The history of analytic first- and second-derivative methods in quantum chemistry is discussed, with special emphasis given to approaches that are associated with electron correlation treatments based on many-body perturbation theory (MBPT) and the coupled-cluster (CC) approximation. The computational requirements of recently developed analytical second derivative methods for high-order MBPT and CC methods are discussed in detail and compared with

John F. Stanton; Jurgen Gauss

2000-01-01

271

Many-Body Effects on Bandgap Shrinkage, Effective Masses, and Alpha Factor

NASA Technical Reports Server (NTRS)

Many-body Coulomb effects influence the operation of quantum-well (QW) laser diode (LD) strongly. In the present work, we study a two-band electron-hole plasma (EHP) within the Hatree-Fock approximation and the single plasmon pole approximation for static screening. Full inclusion of momentum dependence in the many-body effects is considered. An empirical expression for carrier density dependence of the bandgap renormalization (BGR) in an 8 nm GaAs/Al(0.3)G(4.7)As single QW will be given, which demonstrates a non-universal scaling behavior for quasi-two-dimension structures, due to size-dependent efficiency of screening. In addition, effective mass renormalization (EMR) due to momentum-dependent self-energy many-body correction, for both electrons and holes is studied and serves as another manifestation of the many-body effects. Finally, the effects on carrier density dependence of the alpha factor is evaluated to assess the sensitivity of the full inclusion of momentum dependence.

Li, Jian-Zhong; Ning, C. Z.; Woo, Alex C. (Technical Monitor)

2000-01-01

272

Many-body interactions in quasi-freestanding graphene

The Landau-Fermi liquid picture for quasiparticles assumes that charge carriers are dressed by many-body interactions, forming one of the fundamental theories of solids. Whether this picture still holds for a semimetal such as graphene at the neutrality point, i.e., when the chemical potential coincides with the Dirac point energy, is one of the long-standing puzzles in this field. Here we present such a study in quasi-freestanding graphene by using high-resolution angle-resolved photoemission spectroscopy. We see the electron-electron and electron-phonon interactions go through substantial changes when the semimetallic regime is approached, including renormalizations due to strong electron-electron interactions with similarities to marginal Fermi liquid behavior. These findings set a new benchmark in our understanding of many-body physics in graphene and a variety of novel materials with Dirac fermions.

Siegel, David; Park, Cheol-Hwan; Hwang, Choongyu; Deslippe, Jack; Fedorov, Alexei; Louie, Steven; Lanzara, Alessandra

2011-06-03

273

Combined coupled-cluster and many-body perturbation theories

NASA Astrophysics Data System (ADS)

Various approximations combining coupled-cluster (CC) and many-body perturbation theories have been derived and implemented into the parallel execution programs that take into account the spin, spatial (real Abelian), and permutation symmetries and that are applicable to closed- and open-shell molecules. The implemented models range from the CCSD(T), CCSD[T], CCSD(2)T, CCSD(2)TQ, and CCSDT(2)Q methods to the completely renormalized (CR) CCSD(T) and CCSD[T] approaches, where CCSD (CCSDT) stands for the CC method with connected single and double (single, double, and triple) cluster operators, and subscripted or parenthesized 2, T, and Q indicate the perturbation order or the excitation ranks of the cluster operators included in the corrections. The derivation and computer implementation have been automated by the algebraic and symbolic manipulation program TENSOR CONTRACTION ENGINE (TCE). The TCE-synthesized subroutines generate the tensors with the highest excitation rank in a blockwise manner so that they need not be stored in their entirety, while enabling the efficient reuse of other precalculated intermediate tensors defined by prioritizing the memory optimization as well as operation minimization. Consequently, the overall storage requirements for the corrections due to connected triple and quadruple cluster operators scale as O(n4) and O(n6), respectively (n being a measure of the system size). For systems with modest multireference character of their wave functions, we found that the order of accuracy is CCSD

Hirata, So; Fan, Peng-Dong; Auer, Alexander A.; Nooijen, Marcel; Piecuch, Piotr

2004-12-01

274

Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence

Many-body correlations can yield key insights into the nature of interacting systems; however, detecting them is often very challenging in many-particle physics, especially in nanoscale systems. Here, taking a phosphorus donor electron spin in a natural-abundance 29Si nuclear spin bath as our model system, we discover both theoretically and experimentally that many-body correlations in nanoscale nuclear spin baths produce identifiable signatures in the decoherence of the central spin under multiple-pulse dynamical decoupling control. We find that when the number of decoupling -pulses is odd, central spin decoherence is primarily driven by second-order nuclear spin correlations (pairwise flip-flop processes). In contrast, when the number of -pulses is even, fourth-order nuclear spin correlations (diagonal interaction renormalized pairwise flip-flop processes) are principally responsible for the central spin decoherence. Many-body correlations of different orders can thus be selectively detected by central spin decoherence under different dynamical decoupling controls, providing a useful approach to probing many-body processes in nanoscale nuclear spin baths.

Wen-Long Ma; Gary Wolfowicz; Nan Zhao; Shu-Shen Li; John J. L. Morton; Ren-Bao Liu

2014-04-10

275

Rapid mixing renders quantum dissipative systems stable

The physics of many materials is modeled by quantum many-body systems with local interactions. If the model of the system is sensitive to noise from the environment, or small perturbations to the original interactions, it will not model properly the robustness of the real physical system it aims to describe, or be useful when engineering novel systems for quantum information processing. We show that local observables and correlation functions of local Liouvillians are stable to local perturbations if the dynamics is rapidly mixing and has a unique fixed point. No other condition is required.

Angelo Lucia; Toby S. Cubitt; Spyridon Michalakis; David Pérez-García

2015-03-17

276

Many-body excitation spectra of trapped bosons with general interaction by linear response

NASA Astrophysics Data System (ADS)

The linear-response theory of the multiconfigurational time-dependent Hartree for bosons method (LR-MCTDHB) for computing many-body excitations of trapped Bose-Einstein condensates [Phys. Rev. A 88, 023606 (2013); J. Chem. Phys. 140, 034108 (2014)] is implemented, for the first time, for systems with general interparticle interaction. This allows us to investigate the many-body excitation spectrum of interacting bosons with, for instance, a long-range interaction. Illustrative numerical examples for repulsive and attractive bosons are provided. The LR-MCTDHB theory is capable of identifying all excitations, including the excitations which are not unraveled within Bogoliubov-de Gennes equations. The theory is herewith benchmarked against the exactly-solvable one-dimensional harmonic-interaction model. As a complementary result, using a complex transformation, we represent LR-MCTDHB in a compact block-diagonal form, opening up thereby an avenue for treating larger many-body systems. We expect the LR-MCTDHB theory and its implementation for general interparticle interaction to provide a proved probe into the many-body excitations involved in the out-ofequilibrium dynamics of trapped interacting bosons.

Alon, Ofir E.

2015-03-01

277

Subsystem density-functional theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible. PMID:25880118

Krishtal, Alisa; Sinha, Debalina; Genova, Alessandro; Pavanello, Michele

2015-05-13

278

Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.

Krishtal, Alisa; Genova, Alessandro; Pavanello, Michele

2015-01-01

279

First-principles energetics of water clusters and ice: a many-body analysis.

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water. PMID:24387379

Gillan, M J; Alfè, D; Bartók, A P; Csányi, G

2013-12-28

280

First-principles energetics of water clusters and ice: A many-body analysis

Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water.

Gillan, M. J., E-mail: m.gillan@ucl.ac.uk [London Centre for Nanotechnology, UCL, London WC1H 0AH (United Kingdom); Thomas Young Centre, UCL, London WC1H 0AH (United Kingdom); Department of Physics and Astronomy, UCL, London WC1E 6BT (United Kingdom); Alfè, D. [London Centre for Nanotechnology, UCL, London WC1H 0AH (United Kingdom) [London Centre for Nanotechnology, UCL, London WC1H 0AH (United Kingdom); Thomas Young Centre, UCL, London WC1H 0AH (United Kingdom); Department of Physics and Astronomy, UCL, London WC1E 6BT (United Kingdom); Department of Earth Sciences, UCL, London WC1E 6BT (United Kingdom); Bartók, A. P.; Csányi, G. [Department of Engineering, University of Cambridge, Cambridge (United Kingdom)] [Department of Engineering, University of Cambridge, Cambridge (United Kingdom)

2013-12-28

281

Relaxation of isolated quantum systems beyond chaos

In classical statistical mechanics there is a clear correlation between relaxation to equilibrium and chaos. In contrast, for isolated quantum systems this relation is -- to say the least -- fuzzy. In this work we try to unveil the intricate relation between the relaxation process and the transition from integrability to chaos. We study the approach to equilibrium in two different many body quantum systems that can be parametrically tuned from regular to chaotic. We show that a universal relation between relaxation and delocalization of the initial state in the perturbed basis can be established regardless of the chaotic nature of system.

Ignacio García-Mata; Augusto J. Roncaglia; Diego A. Wisniacki

2015-01-23

282

Relaxation of isolated quantum systems beyond chaos.

In classical statistical mechanics there is a clear correlation between relaxation to equilibrium and chaos. In contrast, for isolated quantum systems this relation is-to say the least-fuzzy. In this work we try to unveil the intricate relation between the relaxation process and the transition from integrability to chaos. We study the approach to equilibrium in two different many-body quantum systems that can be parametrically tuned from regular to chaotic. We show that a universal relation between relaxation and delocalization of the initial state in the perturbed basis can be established regardless of the chaotic nature of system. PMID:25679559

García-Mata, Ignacio; Roncaglia, Augusto J; Wisniacki, Diego A

2015-01-01

283

Relaxation of isolated quantum systems beyond chaos

NASA Astrophysics Data System (ADS)

In classical statistical mechanics there is a clear correlation between relaxation to equilibrium and chaos. In contrast, for isolated quantum systems this relation is—to say the least—fuzzy. In this work we try to unveil the intricate relation between the relaxation process and the transition from integrability to chaos. We study the approach to equilibrium in two different many-body quantum systems that can be parametrically tuned from regular to chaotic. We show that a universal relation between relaxation and delocalization of the initial state in the perturbed basis can be established regardless of the chaotic nature of system.

García-Mata, Ignacio; Roncaglia, Augusto J.; Wisniacki, Diego A.

2015-01-01

284

NASA Astrophysics Data System (ADS)

High quality epitaxial graphene films can be applied as templates for tailoring graphene-substrate interfaces that allow for precise control of the charge carrier behavior in graphene through doping and many-body effects. By combining scanning tunneling microscopy, angle-resolved photoemission spectroscopy and density functional theory we demonstrate that oxygen intercalated epitaxial graphene on Ir(111) has high structural quality, is quasi free-standing, and shows signatures of many-body interactions. Using this system as a template, we show that pn-interfaces can be patterned by adsorption and intercalation of rubidium, and that the n-doped graphene regions exhibit a reduced Coulomb screening via enhanced electron-plasmon coupling. These findings are central for understanding and tailoring the properties of graphene-metal contacts e.g. for realizing quantum tunneling devices.

Ulstrup, Søren; Andersen, Mie; Bianchi, Marco; Barreto, Lucas; Hammer, Bjørk; Hornekær, Liv; Hofmann, Philip

2014-09-01

285

Particle diagrams and embedded many-body random matrix theory

We present a new method which uses Feynman-like diagrams to calculate the statistical quantities of embedded many-body random matrix problems. The method provides a promising alternative to existing techniques and offers many important simplifications. We use it here to find the fourth, sixth and eighth moments of the level density for k fermions or bosons interacting through a random hermitian potential in the limit where the number of possible single-particle states is taken to infinity. All share the same transition, starting immediately after 2k = m, from moments arising from a semi-circular level density to gaussian moments. The results also reveal a striking feature; the domain of the 2n'th moment is naturally divided into n subdomains specified by the points 2k = m, 3k = m, ..., nk = m.

Rupert Small; Sebastian Müller

2014-08-05

286

Phase-space manipulations of many-body wave functions

NASA Astrophysics Data System (ADS)

We explore the manipulation in phase space of many-body wave functions that exhibit self-similar dynamics under the application of sudden force and/or in the presence of a constant acceleration field. For this purpose, we work out a common theoretical framework based on the Wigner function. We discuss squeezing in position space, phase-space rotation, and its implications in cooling for both noninteracting and interacting gases and time-reversal operation. We discuss various optical analogies and calculate the role of a spherical-like aberration in cooling protocols. We also present the equivalent of a spin-echo technique to improve the robustness of velocity dispersion reduction protocols.

Condon, G.; Fortun, A.; Billy, J.; Guéry-Odelin, D.

2014-12-01

287

Fragmented Many-body States of Spin-2 Bose Gas

We investigate fragmented many-body ground states of a spin-2 Bose gas in zero magnetic field. We point out that the exact ground states are not simply angular-averages over the mean-field states, in contrast to the spin-1 case with even number of particles N. We construct the exact ground states and compare them with the angular-averaged polar and cyclic states. The angular-averaged polar states fail to retrieve the exact eigenstate at $N \\ge 6$ while angular-averaged cyclic states sustain only for N with a multiple of $3$. We calculate the density matrices and two-particle correlation functions to show how deviant the angular-averaged state is from the exact one.

H. H. Jen; S. -K. Yip

2015-02-16

288

Many-body tight-binding model for aluminum nanoparticles

A new, parametrized many-body tight-binding model is proposed for calculating the potential energy surface for aluminum nanoparticles. The parameters have been fitted to reproduce the energies for a variety of aluminum clusters (Al{sub 2}, Al{sub 3}, Al{sub 4}, Al{sub 7}, Al{sub 13}) calculated recently by the PBE0/MG3 method as well as the experimental face-centered-cubic cohesive energy, lattice constant, and a small set of Al cluster ionization potentials. Several types of parametrization are presented and compared. The mean unsigned error per atom for the best model is less than 0.03 eV.

Staszewska, Grazyna; Staszewski, Przemyslaw; Schultz, Nathan E.; Truhlar, Donald G. [Institute of Physics, Nicolaus Copernicus University, ul. Grudziadzka 5, 87-100 Torun (Poland); Department of Theoretical Foundations of Biomedical Sciences and Medical Informatics, Collegium Medicum, Nicolaus Copernicus University, ul. Jagiellonska 13, 85-067 Bydgoszcz (Poland); Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 44455-0431 (United States)

2005-01-15

289

Explicit schemes for time propagating many-body wave functions

NASA Astrophysics Data System (ADS)

Accurate theoretical data on many time-dependent processes in atomic and molecular physics and in chemistry require the direct numerical ab initio solution of the time-dependent Schrödinger equation, thereby motivating the development of very efficient time propagators. These usually involve the solution of very large systems of first-order differential equations that are characterized by a high degree of stiffness. In this contribution, we analyze and compare the performance of the explicit one-step algorithms of Fatunla and Arnoldi. Both algorithms have exactly the same stability function, therefore sharing the same stability properties that turn out to be optimum. Their respective accuracy, however, differs significantly and depends on the physical situation involved. In order to test this accuracy, we use a predictor-corrector scheme in which the predictor is either Fatunla's or Arnoldi's algorithm and the corrector, a fully implicit four-stage Radau IIA method of order 7. In this contribution, we consider two physical processes. The first one is the ionization of an atomic system by a short and intense electromagnetic pulse; the atomic systems include a one-dimensional Gaussian model potential as well as atomic hydrogen and helium, both in full dimensionality. The second process is the decoherence of two-electron quantum states when a time-independent perturbation is applied to a planar two-electron quantum dot where both electrons are confined in an anharmonic potential. Even though the Hamiltonian of this system is time independent the corresponding differential equation shows a striking stiffness which makes the time integration extremely difficult. In the case of the one-dimensional Gaussian potential we discuss in detail the possibility of monitoring the time step for both explicit algorithms. In the other physical situations that are much more demanding in term of computations, we show that the accuracy of both algorithms depends strongly on the degree of stiffness of the problem.

Frapiccini, Ana Laura; Hamido, Aliou; Schröter, Sebastian; Pyke, Dean; Mota-Furtado, Francisca; O'Mahony, Patrick F.; Madroñero, Javier; Eiglsperger, Johannes; Piraux, Bernard

2014-02-01

290

Evolution of regulatory complexes: a many-body system

NASA Astrophysics Data System (ADS)

In eukaryotes, many genes have complex regulatory input, which is encoded by multiple transcription factor binding sites linked to a common function. Interactions between transcription factors and site complexes on DNA control the production of protein in cells. Here, we present a quantitative evolutionary analysis of binding site complexes in yeast. We show that these complexes have a joint binding phenotype, which is under substantial stabilizing selection and is well conserved within Saccharomyces paradoxus populations and between three species of Saccharomyces. At the same time, individual low-affinity sites evolve near-neutrally and show considerable affinity variation even within one population. Thus, functionality of and selection on regulatory complexes emerge from the entire cloud of sites, but cannot be pinned down to individual sites. Our method is based on a biophysical model, which determines site occupancies and establishes a joint affinity phenotype for binding site complexes. We infer a fitness landscape depending on this phenotype using yeast whole-genome polymorphism data and a new method of quantitative trait analysis. Our fitness landscape predicts the amount of binding phenotype conservation, as well as ubiquitous compensatory changes between sites in the cloud. Our results open a new avenue to understand the regulatory ``grammar'' of eukaryotic genomes based on quantitative evolution models.

Nouemohammad, Armita; Laessig, Michael

2013-03-01

291

Combining DFT and Many-body Methods to Understand Correlated Materials

Electronic and magnetic properties of strongly-correlated systems are typically controlled by a limited number of electronic states, located near the Fermi level and well isolated from the rest of the spectrum. This opens a formal way for combining the first-principles methods of electronic structure calculations, based on the density-functional theory (DFT), with model many- body methods, formulated in a restricted

Igor Solovyev

2007-01-01

292

Another New Solvable Many-Body Model of Goldfish Type

NASA Astrophysics Data System (ADS)

A new solvable many-body problem is identified. It is characterized by nonlinear Newtonian equations of motion (''acceleration equal force'') featuring one-body and two-body velocity-dependent forces ''of goldfish type'' which determine the motion of an arbitrary number N of unit-mass point-particles in a plane. The N (generally complex) values z_{n}( t) at time t of the N coordinates of these moving particles are given by the N eigenvalues of a time-dependent N× N matrix U( t) explicitly known in terms of the 2N initial data z_{n}( 0) and dot{z}_{n}(0) . This model comes in two different variants, one featuring 3 arbitrary coupling constants, the other only 2; for special values of these parameters all solutions are completely periodic with the same period independent of the initial data (''isochrony''); for other special values of these parameters this property holds up to corrections vanishing exponentially as t? ? (''asymptotic isochrony''). Other isochronous variants of these models are also reported. Alternative formulations, obtained by changing the dependent variables from the N zeros of a monic polynomial of degree N to its N coefficients, are also exhibited. Some mathematical findings implied by some of these results - such as Diophantine properties of the zeros of certain polynomials - are outlined, but their analysis is postponed to a separate paper.

Calogero, Francesco

2012-07-01

293

Many-body central force potentials for tungsten

NASA Astrophysics Data System (ADS)

Tungsten and tungsten-based alloys are the primary candidate materials for plasma facing components in fusion reactors. The exposure to high-energy radiation, however, severely degrades the performance and lifetime limits of the in-vessel components. In an effort to better understand the mechanisms driving the materials' degradation at the atomic level, large-scale atomistic simulations are performed to complement experimental investigations. At the core of such simulations lies the interatomic potential, on which all subsequent results hinge. In this work we review 19 central force many-body potentials and benchmark their performance against experiments and density functional theory (DFT) calculations. As basic features we consider the relative lattice stability, elastic constants and point-defect properties. In addition, we also investigate extended lattice defects, namely: free surfaces, symmetric tilt grain boundaries, the 1/2<1?1?1>{1?1?0} and 1/2<1?1?1> {1?1?2} stacking fault energy profiles and the 1/2<1?1?1> screw dislocation core. We also provide the Peierls stress for the 1/2<1?1?1> edge and screw dislocations as well as the glide path of the latter at zero Kelvin. The presented results serve as an initial guide and reference list for both the modelling of atomically-driven phenomena in bcc tungsten, and the further development of its potentials.

Bonny, G.; Terentyev, D.; Bakaev, A.; Grigorev, P.; Van Neck, D.

2014-07-01

294

Kohn-Sham density-functional theory and renormalization of many-body perturbation expansions

NASA Astrophysics Data System (ADS)

Numerous practical applications provide strong evidence that despite its simplicity and crude approximations, density-functional theory leads to a rather accurate description of ground state properties of various condensed matter systems. Although well documented numerically, to our knowledge a theoretical explanation of the accuracy of density-functional theory has not been given. This issue is clarified in this work by demonstrating that density-functional theory represents a particular renormalization procedure of a many-body perturbation expansion. In other words, it is shown that density-functional theory is a many-body perturbation theory whose convergence properties have been optimized. The realization of this fact brings new meaning into density-functional theory and explains the success of density-functional based calculations. For more information go to http://alchemy.ucsd.edu/marat/ .

Valiev, Marat

1998-03-01

295

Recent development of complex scaling method for many-body resonances and continua in light nuclei

The complex scaling method (CSM) is a useful similarity transformation of the Schr\\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because the asymptotic wave functions of the separated resonant states are regularized by the CSM, many-body resonances can be obtained by solving an eigenvalue problem with the $L^2$ basis functions. Applying this method to a system consisting of a core and valence nucleons, we investigate many-body resonant states in weakly bound nuclei very far from the stability lines. Non-resonant continuum states are also obtained with the discretized eigenvalues on the rotated branch cuts. Using these complex eigenvalues and eigenstates in CSM, we construct the extended completeness relations and Green's functions to calculate strength functions and breakup cross sections. Various kinds of theoretical calculations and comparisons with experimental data are presented.

Takayuki Myo; Yuma Kikuchi; Hiroshi Masui; Kiyoshi Kato

2014-10-16

296

Many-body localization edge in the random-field Heisenberg chain

NASA Astrophysics Data System (ADS)

We present a large-scale exact diagonalization study of the one-dimensional spin-1 /2 Heisenberg model in a random magnetic field. In order to access properties at varying energy densities across the entire spectrum for system sizes up to L =22 spins, we use a spectral transformation which can be applied in a massively parallel fashion. Our results allow for an energy-resolved interpretation of the many-body localization transition including the existence of an extensive many-body mobility edge. The ergodic phase is well characterized by Gaussian orthogonal ensemble statistics, volume-law entanglement, and a full delocalization in the Hilbert space. Conversely, the localized regime displays Poisson statistics, area-law entanglement, and nonergodicity in the Hilbert space where a true localization never occurs. We perform finite-size scaling to extract the critical edge and exponent of the localization length divergence.

Luitz, David J.; Laflorencie, Nicolas; Alet, Fabien

2015-02-01

297

The explosion of chiral many-body forces: How to deal with it?

NASA Astrophysics Data System (ADS)

During the past two decades, it has been demonstrated that chiral effective field theory represents a powerful tool to deal with nuclear forces in a systematic and model- independent way. Two-, three-, and four-nucleon forces have been derived up to next-to-next-to- next-to-leading order (N3LO) and (partially) applied in nuclear few- and many-body systems– with, in general, a good deal of success. But in spite of these achievements, we are still faced with some great challenges. Among them is the problem of a proper renormalization of the two- nucleon potential. Another issue are the subleading many-body forces, where the "explosion" of the number of terms with increasing order and the order-by-order convergence are reasons for concern. In this talk, I will mainly focus on the latter topic.

Machleidt, R.

2015-02-01

298

Novel solvable extensions of the goldfish many-body model

NASA Astrophysics Data System (ADS)

A novel solvable extension of the goldfish N-body problem is presented. Its Newtonian equations of motion read ??n=2a?\\dot n?n+2?m =1,m?nN(?\\dot n-a?n2)(?\\dot m-a?m2)/(?n-?m), n =1,…,N, where a is an arbitrary (nonvanishing) constant and the rest of the notation is self-evident. The isochronous version of this model is characterized by the Newtonian equations of motion ??n-3i?\\zdot n-2?2zn=2a(\\zdot n-i?zn)zn+2?m =1,m?nN(\\zdot n-i?zn-azn2)(\\zdot m-i?zm-azm2)/(zn-zm), n =1,…,N, where ? is an arbitrary positive constant and the points zn(t) move now necessarily in the complex z-plane. The generic solution of this second model is completely periodic with a period Tk=kT which is an integer multiple k (not larger than N!, indeed generally much smaller) of the basic period T =2?/? and which is independent of the initial data (for sufficiently small, but otherwise arbitrary, changes of such data). These many-body models have an intriguing variety of equilibrium configurations (genuine: with no two particles sitting at the same place), but only for small values of N (N =2,3,4 for the first model, N =2,3,4,5 for the second). Other versions of these models are also discussed. The study of the behavior of the second, isochronous model around its equilibrium configurations yields some amusing diophantine results.

Calogero, F.; Iona, S.

2005-10-01

299

Many-body effects on optical carrier cooling in intrinsic semiconductors at low lattice temperatures

NASA Astrophysics Data System (ADS)

Based on the coupled density and energy balance equations, a dynamical model is proposed for exploring many-body effects on optical carrier cooling (not lattice cooling) in steady state in comparison with the earlier findings of current-driven carrier cooling in doped semiconductors [X. L. Lei and C. S. Ting, Phys. Rev. B 32, 1112 (1985)] and tunneling-driven carrier cooling through discrete levels of a quantum dot [H. L. Edwards , Phys. Rev. B 52, 5714 (1995)]. This dynamical carrier-cooling process is mediated by a photoinduced nonthermal electron-hole composite plasma in an intrinsic semiconductor under a thermal contact with a low-temperature external heat bath, which is a generalization of the previous theory for a thermal electron-hole plasma [H. Haug and S. Schmitt-Rink, J. Opt. Soc. Am. B 2, 1135 (1985)]. The important roles played by the many-body effects such as band-gap renormalization, screening, and excitonic interaction are fully included and analyzed by calculating the optical-absorption coefficient, spontaneous emission spectrum, and thermal-energy exchange through carrier-phonon scattering. Both the optical carrier cooling and heating are found with increasing pump-laser intensity when the laser photon energy is set below and above the band gap of an intrinsic semiconductor. In addition, the switching from carrier cooling to carrier heating is predicted when the frequency detuning of a pump laser changes from below the band gap to above the band gap.

Huang, Danhong; Alsing, P. M.

2008-07-01

300

Solvable Many-Body Models of Goldfish Type with One-, Two- and Three-Body Forces

NASA Astrophysics Data System (ADS)

The class of solvable many-body problems ''of goldfish type'' is extended by including (the additional presence of) three-body forces. The solvable N-body problems thereby identified are characterized by Newtonian equations of motion featuring 19 arbitrary ''coupling constants''. Restrictions on these constants are identified which cause these systems - or appropriate variants of them - to be isochronous or asymptotically isochronous, i.e. all their solutions to be periodic with a fixed period (independent of the initial data) or to have this property up to contributions vanishing exponentially as t? ?.

Bihun, Oksana; Calogero, Francesco

2013-10-01

301

Many-body and model-potential calculations of low-energy photoionization parameters for Fr

The photoionization cross section $\\sigma$, spin-polarization parameters $P$ and $Q$, and the angular-distribution asymmetry parameter $\\beta$ are calculated for the $7s$ state of francium for photon energies below 10 eV. Two distinct calculations are presented, one based on many-body perturbation theory and another based on the model potential method. Although predictions of the two calculations are similar, the detailed energy dependence of the photoionization parameters from the two calculations differ. From the theoretical p-wave phase shifts, we infer quantum defects for $p_{1/2}$ and $p_{3/2}$ Rydberg series, permitting us to calculate positions of experimentally unknown $p$ states in francium.

Derevianko, S A; Sadeghpour, H R

1999-01-01

302

Photon-induced sideband transitions in a many-body Landau-Zener process

NASA Astrophysics Data System (ADS)

We investigate the many-body Landau-Zener (LZ) process in a two-site Bose-Hubbard model driven by a time-periodic field. We find that the driving field may induce sideband transitions in addition to the main LZ transitions. These photon-induced sideband transitions are a signature of the photon-assisted tunneling in our many-body LZ process. In the Rabi regime, where the system is dominated by the intermode coupling, the system can be looked as an ensemble of identical noninteracting single-particle LZ systems and the photon-induced sideband transitions are similar to the ones in single-particle LZ systems. In the Fock regime, where the system is dominated by the interparticle interaction, we develop an analytical theory for understanding the sideband transitions, which is confirmed by our numerical simulation. Furthermore, we discuss the quantization of the driving field. In the effective model of the quantized driving field, the sideband transitions can be understood as the LZ transitions between states of different "photon" numbers.

Zhong, Honghua; Xie, Qiongtao; Huang, Jiahao; Qin, Xizhou; Deng, Haiming; Xu, Jun; Lee, Chaohong

2014-08-01

303

Mean-field theory of nearly many-body localized metals

NASA Astrophysics Data System (ADS)

We develop a mean-field theory of the metallic phase near the many-body localization (MBL) transition, using the observation that a system near the MBL transition should become an increasingly slow heat bath for its constituent parts. As a first step, we consider the properties of a many-body localized system coupled to a generic ergodic bath whose characteristic dynamical time scales are much slower than those of the system. As we discuss, a wide range of experimentally relevant systems fall into this class; we argue that relaxation in these systems is dominated by collective many-particle rearrangements, and compute the associated time scales and spectral broadening. We then use the observation that the self-consistent environment of any region in a nearly localized metal can itself be modeled as a slowly fluctuating bath to outline a self-consistent mean-field description of the nearly localized metal and the localization transition. In the nearly localized regime, the spectra of local operators are highly inhomogeneous and the typical local spectral linewidth is narrow. The local spectral linewidth is proportional to the dc conductivity, which is small in the nearly localized regime. This typical linewidth and the dc conductivity go to zero as the localized phase is approached, with a scaling that we calculate, and which appears to be in good agreement with recent experimental results.

Gopalakrishnan, Sarang; Nandkishore, Rahul

2014-12-01

304

Many-body microhydrodynamics of colloidal particles with active boundary layers

Colloidal particles with active boundary layers - regions surrounding the particles where nonequilibrium processes produce large velocity gradients - are common in many physical, chemical and biological contexts. The velocity or stress at the edge of the boundary layer determines the exterior fluid flow and, hence, the many-body interparticle hydrodynamic interaction. Here, we present a method to compute the many-body hydrodynamic interaction between $N$ spherical active particles induced by their exterior microhydrodynamic flow. First, we use a boundary integral representation of the Stokes equation to eliminate bulk fluid degrees of freedom. Then, we expand the boundary velocities and tractions of the integral representation in an infinite-dimensional basis of tensorial spherical harmonics and, on enforcing boundary conditions in a weak sense on the surface of each particle, obtain a system of linear algebraic equations for the unknown expansion coefficients. The truncation of the infinite series, fixed by the degree of accuracy required, yields a finite linear system that can be solved accurately and efficiently by iterative methods. The solution linearly relates the unknown rigid body motion to the known values of the expansion coefficients, motivating the introduction of propulsion matrices. These matrices completely characterize hydrodynamic interactions in active suspensions just as mobility matrices completely characterize hydrodynamic interactions in passive suspensions. The reduction in the dimensionality of the problem, from a three-dimensional partial differential equation to a two-dimensional integral equation, allows for dynamic simulations of hundreds of thousands of active particles on multi-core computational architectures.

Rajesh Singh; Somdeb Ghose; R. Adhikari

2015-01-30

305

Many-body critical Casimir interactions in colloidal suspensions

We study the fluctuation-induced Casimir interactions in colloidal suspensions, especially between colloids immersed in a binary liquid close to its critical demixing point. To simulate these systems, we present a highly efficient cluster Monte Carlo algorithm based on geometric symmetries of the Hamiltonian. Utilizing the principle of universality, the medium is represented by an Ising system while the colloids are areas of spins with fixed orientation. Our results for the Casimir interaction potential between two particles at the critical point perfectly agree with the exact predictions. However, we find that in finite systems the behavior strongly depends on whether the medium order parameter is conserved and zero, or is allowed to fluctuate. Finally we present first results for the three-body Casimir interaction potential.

Hendrik Hobrecht; Alfred Hucht

2015-03-01

306

Many-body critical Casimir interactions in colloidal suspensions

We study the fluctuation-induced Casimir interactions in colloidal suspensions, especially between colloids immersed in a binary liquid close to its critical demixing point. To simulate these systems, we present a highly efficient cluster Monte Carlo algorithm based on geometric symmetries of the Hamiltonian. Utilizing the principle of universality, the medium is represented by an Ising system while the colloids are areas of spins with fixed orientation. Our results for the Casimir interaction potential between two particles at the critical point perfectly agree with the exact predictions. However, we find that in finite systems the behavior strongly depends on whether the medium order parameter is conserved and zero, or is allowed to fluctuate. Finally we present first results for the three-body Casimir interaction potential.

Hobrecht, Hendrik

2015-01-01

307

Engineering optical properties of quantum dot systems

NASA Astrophysics Data System (ADS)

Properties and functions of nanodevices are determined by quantum behavior of nanosystems which constitute the nucleus of the nanodevices. This work is devoted to investigation of the linear and nonlinear optical properties of quantum dot systems, in part the intrinsic optical bistability. The resonance effects and many-body effects in the systems as well as the self-consistent treatment of the phenomena form the framework of the consideration. Effects of the size parameters of quantum dot systems, shapes of quantum dots, and electron population of quantum dots on the optical properties are investigated. It is shown that a few Angstroms more or less and/or one electron more or less can make a dramatic difference in the nanosystem behavior. Knowledge of the maps of the allowed dipole coupled interlevel transitions in quantum dots are demonstrated to be crucially important. A special attention is paid to the vital effects of the electron-electron interaction in the quantum dot systems: static, dynamic, intradot, and iterdot.

Bondarenko, Victor

308

Stability of local quantum dissipative systems

Open quantum systems weakly coupled to the environment are modeled by completely positive, trace preserving semigroups of linear maps. The generators of such evolutions are called Lindbladians. For practical and theoretical reasons, it is crucial to estimate the impact that noise or errors in the generating Lindbladian can have on the evolution. In the setting of quantum many-body systems on a lattice it is natural to consider local or exponentially decaying interactions. We show that even for polynomially decaying errors in the Lindbladian, local observables and correlation functions are stable if the unperturbed Lindbladian is translationally invariant, has a unique fixed point (with no restriction on its rank) and has a mixing time which scales logarithmically with the system size. These conditions can be relaxed to the non-translationally invariant case. As a main example, we prove that classical Glauber dynamics is stable under local perturbations, including perturbations in the transition rates which may not preserve detailed balance.

Toby S. Cubitt; Angelo Lucia; Spyridon Michalakis; David Perez-Garcia

2014-09-29

309

Dielectric Response of Periodic Systems from Quantum Monte Carlo

We introduce a novel approach to study the response of periodic systems to finite homogeneous electric fields using the diffusion Quantum Monte Carlo method. The interaction with the electric field is expressed through a generalized many-body electric-enthalpy functional; a Hermitian local potential is then constructed that determines the evolution towards the ground state. This local potential depends self-consistently on the

Paolo Umari; Andrew J. Willamson; Nicola Marzari

2005-01-01

310

Solution to the many-body problem in one point

NASA Astrophysics Data System (ADS)

In this work we determine the one-body Green's function as solution of a set of functional integro-differential equations, which relate the one-particle Green's function to its functional derivative with respect to an external potential. In the same spirit as Lani et al (2012 New J. Phys. 14 013056), we do this in a one-point model, where the equations become ordinary differential equations (DEs) and, hence, solvable with standard techniques. This allows us to analyze several aspects of these DEs as well as of standard methods for determining the one-body Green's function that are important for real systems. In particular: (i) we present a strategy to determine the physical solution among the many mathematical solutions; (ii) we assess the accuracy of an approximate DE related to the GW+cumulant method by comparing it to the exact physical solution and to standard approximations such as GW; (iii) we show that the solution of the approximate DE can be improved by combining it with a screened interaction in the random-phase approximation. (iv) We demonstrate that by iterating the GW Dyson equation one does not always converge to a GW solution and we discuss which iterative scheme is the most suitable to avoid such errors.

Berger, J. A.; Romaniello, Pina; Tandetzky, Falk; Mendoza, Bernardo S.; Brouder, Christian; Reining, Lucia

2014-11-01

311

Many-body effects in a quasi-one-dimensional electron gas

NASA Astrophysics Data System (ADS)

We have investigated electron transport in a quasi-one dimensional (quasi-1D) electron gas as a function of the confinement potential. At a particular potential configuration, and electron concentration, the ground state of a 1D quantum wire splits into two rows to form an incipient Wigner lattice. It was found that application of a transverse magnetic field can transform a double-row electron configuration into a single row due to magnetic enhancement of the confinement potential. The movements of the energy levels have been monitored under varying conditions of confinement potential and in-plane magnetic field. It is also shown that when the confinement is weak, electron occupation drives a reordering of the levels such that the normal ground state passes through the higher levels. The results show that the levels can be manipulated by utilizing their different dependence on spatial confinement and electron concentration, thus enhancing the understanding of many-body interactions in mesoscopic 1D quantum wires.

Kumar, Sanjeev; Thomas, Kalarikad J.; Smith, Luke W.; Pepper, Michael; Creeth, Graham L.; Farrer, Ian; Ritchie, David; Jones, Geraint; Griffiths, Jonathan

2014-11-01

312

NASA Astrophysics Data System (ADS)

Exciton sizes and electron-hole binding energies, which are central properties of excited states in extended systems and crucial to the design of modern electronic devices, are readily defined within a quasiparticle framework but are quite challenging to understand in the molecular-orbital picture. The intent of this work is to bridge this gap by providing a general way of extracting the exciton wave function out of a many-body wave function obtained by a quantum chemical excited-state computation. This methodology, which is based on the one-particle transition density matrix, is implemented within the ab initio algebraic diagrammatic construction scheme for the polarization propagator and specifically the evaluation of exciton sizes, i.e., dynamic charge separation distances, is considered. A number of examples are presented. For stacked dimers it is shown that the exciton size for charge separated states corresponds to the intermolecular separation, while it only depends on the monomer size for locally excited states or Frenkel excitons. In the case of conjugated organic polymers, the tool is applied to analyze exciton structure and dynamic charge separation. Furthermore, it is discussed how the methodology may be used for the construction of a charge-transfer diagnostic for time-dependent density-functional theory.

Bäppler, Stefanie A.; Plasser, Felix; Wormit, Michael; Dreuw, Andreas

2014-11-01

313

Many-body Green's function study of coumarins for dye-sensitized solar cells

We study within the many-body Green's function $GW$ and Bethe-Salpeter formalisms the excitation energies of several coumarin dyes proposed as an efficient alternative to ruthenium complexes for dye-sensitized solar cells. Due to their internal donor-acceptor structure, these chromophores present low-lying excitations showing a strong intramolecular charge-transfer character. We show that combining $GW$ and Bethe-Salpeter calculations leads to charge-transfer excitation energies and oscillator strengths in excellent agreement with reference range-separated functional studies or coupled-cluster calculations. The present results confirm the ability of this family of approaches to describe accurately Frenkel and charge-transfer photo-excitations in both extended and finite size systems without any system-dependent adjustable parameter, paving the way to the study of dye-sensitized semiconducting surfaces.

Faber, C; Deutsch, T; Blase, X

2012-01-01

314

Strong local passivity in finite quantum systems

NASA Astrophysics Data System (ADS)

Passive states of quantum systems are states from which no system energy can be extracted by any cyclic (unitary) process. Gibbs states of all temperatures are passive. Strong local (SL) passive states are defined to allow any general quantum operation, but the operation is required to be local, being applied only to a specific subsystem. Any mixture of eigenstates in a system-dependent neighborhood of a nondegenerate entangled ground state is found to be SL passive. In particular, Gibbs states are SL passive with respect to a subsystem only at or below a critical system-dependent temperature. SL passivity is associated in many-body systems with the presence of ground state entanglement in a way suggestive of collective quantum phenomena such as quantum phase transitions, superconductivity, and the quantum Hall effect. The presence of SL passivity is detailed for some simple spin systems where it is found that SL passivity is neither confined to systems of only a few particles nor limited to the near vicinity of the ground state.

Frey, Michael; Funo, Ken; Hotta, Masahiro

2014-07-01

315

Strong local passivity in finite quantum systems.

Passive states of quantum systems are states from which no system energy can be extracted by any cyclic (unitary) process. Gibbs states of all temperatures are passive. Strong local (SL) passive states are defined to allow any general quantum operation, but the operation is required to be local, being applied only to a specific subsystem. Any mixture of eigenstates in a system-dependent neighborhood of a nondegenerate entangled ground state is found to be SL passive. In particular, Gibbs states are SL passive with respect to a subsystem only at or below a critical system-dependent temperature. SL passivity is associated in many-body systems with the presence of ground state entanglement in a way suggestive of collective quantum phenomena such as quantum phase transitions, superconductivity, and the quantum Hall effect. The presence of SL passivity is detailed for some simple spin systems where it is found that SL passivity is neither confined to systems of only a few particles nor limited to the near vicinity of the ground state. PMID:25122271

Frey, Michael; Funo, Ken; Hotta, Masahiro

2014-07-01

316

A charge optimized many-body potential for titanium nitride (TiN).

This work presents a new empirical, variable charge potential for TiN systems in the charge-optimized many-body potential framework. The potential parameters were determined by fitting them to experimental data for the enthalpy of formation, lattice parameters, and elastic constants of rocksalt structured TiN. The potential does a good job of describing the fundamental physical properties (defect formation and surface energies) of TiN relative to the predictions of first-principles calculations. This potential is used in classical molecular dynamics simulations to examine the interface of fcc-Ti(0 0 1)/TiN(0 0 1) and to characterize the adsorption of oxygen atoms and molecules on the TiN(0 0 1) surface. The results indicate that the potential is well suited to model TiN thin films and to explore the chemistry associated with their oxidation. PMID:24903100

Cheng, Y-T; Liang, T; Martinez, J A; Phillpot, S R; Sinnott, S B

2014-07-01

317

Electronic excitations of bulk LiCl from many-body perturbation theory

We present the quasiparticle band structure and the optical excitation spectrum of bulk LiCl, using many-body perturbation theory. Density-functional theory is used to calculate the ground-state geometry of the system. The quasiparticle band structure is calculated within the GW approximation. Taking the electron-hole interaction into consideration, electron-hole pair states and optical excitations are obtained by solving the Bethe-Salpeter equation for the electron-hole two-particle Green function. The calculated band gap is 9.5 eV, which is in good agreement with the experimental result of 9.4 eV. And the calculated optical absorption spectrum, which contains an exciton peak at 8.8 eV and a resonant-exciton peak at 9.8 eV, is also in good agreement with experimental data.

Jiang, Yun-Feng; Wang, Neng-Ping, E-mail: wangnengping@nbu.edu.cn [Science Faculty, Ningbo University, Fenghua Road 818, 315211 Ningbo (China)] [Science Faculty, Ningbo University, Fenghua Road 818, 315211 Ningbo (China); Rohlfing, Michael [Institut für Festkörpertheorie, Universität Münster, 48149 Münster (Germany)] [Institut für Festkörpertheorie, Universität Münster, 48149 Münster (Germany)

2013-12-07

318

The dimensionality reduction at surfaces as a playground for many-body and correlation effects

NASA Astrophysics Data System (ADS)

Low-dimensional systems have always deserved attention due to the peculiarity of their physics, which is different from or even at odds with three-dimensional expectations. This is precisely the case for many-body effects, as electron-electron correlation or electron-phonon coupling are behind many intriguing problems in condensed matter physics. These interesting phenomena at low dimensions can be studied in one of the paradigms of two dimensionality—the surface of crystals. The maturity of today's surface science techniques allows us to perform thorough experimental studies that can be complemented by the current strength of state-of-the-art calculations. Surfaces are thus a natural two-dimensional playground for studying correlation and many-body effects, which is precisely the object of this special section. This special section presents a collection of eight invited articles, giving an overview of the current status of selected systems, promising techniques and theoretical approaches for studying many-body effects at surfaces and low-dimensional systems. The first article by Hofmann investigates electron-phonon coupling in quasi-free-standing graphene by decoupling graphene from two different substrates with different intercalating materials. The following article by Kirschner deals with the study of NiO films by electron pair emission, a technique particularly well-adapted for studying high electron correlation. Bovensiepen investigates electron-phonon coupling via the femtosecond time- and angle-resolved photoemission spectroscopy technique. The next article by Malterre analyses the phase diagram of alkalis on Si(111):B and studies the role of many-body physics. Biermann proposes an extended Hubbard model for the series of C, Si, Sn and Pb adatoms on Si(111) and obtains the inter-electronic interaction parameters by first principles. Continuing with the theoretical studies, Bechstedt analyses the influence of on-site electron correlation in insulating antiferromagnetic surfaces. Ortega reports on the gap of molecular layers on metal systems, where the metal-organic interaction affects the organic gap through correlation effects. Finally, Cazalilla presents a study of the phase diagram of one-dimensional atoms or molecules displaying a Kondo-exchange interaction with the substrate. Acknowledgments The editors are grateful to all the invited contributors to this special section of Journal of Physics: Condensed Matter. We also thank the IOP Publishing staff for handling the administrative matters and the refereeing process. Correlation and many-body effects at surfaces contents The dimensionality reduction at surfaces as a playground for many-body and correlation effectsA Tejeda, E G Michel and A Mascaraque Electron-phonon coupling in quasi-free-standing grapheneJens Christian Johannsen, Søren Ulstrup, Marco Bianchi, Richard Hatch, Dandan Guan, Federico Mazzola, Liv Hornekær, Felix Fromm, Christian Raidel, Thomas Seyller and Philip Hofmann Exploring highly correlated materials via electron pair emission: the case of NiO/Ag(100)F O Schumann, L Behnke, C H Li and J Kirschner Coherent excitations and electron-phonon coupling in Ba/EuFe2As2 compounds investigated by femtosecond time- and angle-resolved photoemission spectroscopyI Avigo, R Cortés, L Rettig, S Thirupathaiah, H S Jeevan, P Gegenwart, T Wolf, M Ligges, M Wolf, J Fink and U Bovensiepen Understanding the insulating nature of alkali-metal/Si(111):B interfacesY Fagot-Revurat, C Tournier-Colletta, L Chaput, A Tejeda, L Cardenas, B Kierren, D Malterre, P Le Fèvre, F Bertran and A Taleb-Ibrahimi What about U on surfaces? Extended Hubbard models for adatom systems from first principlesPhilipp Hansmann, Loïg Vaugier, Hong Jiang and Silke Biermann Influence of on-site Coulomb interaction U on properties of MnO(001)2 × 1 and NiO(001)2 × 1 surfacesA Schrön, M Granovskij and F Bechstedt On the organic energy gap problemF Flores, E Abad, J I Martínez, B Pieczyrak and J Ortega Easy-axis ferromagnetic chain on a metallic surfaceMiguel A Cazalilla

Tejeda, A.; Michel, E. G.; Mascaraque, A.

2013-03-01

319

Importance of many-body orientational correlations in the physical description of liquids.

Liquids are often assumed to be homogeneous and isotropic at any lengthscale and translationally invariant. The standard liquid-state theory is constructed on the basis of this picture and thus basically described in terms of the two-body density correlation. This picture is certainly valid at rather high temperatures, where a liquid is in a highly disordered state. However, it may not necessarily be valid at low temperatures or for a system which has strong directional bonding. Indeed, there remain fundamental unsolved problems in liquid science, which are difficult to explain by such a theory. They include water's thermodynamic and kinetic anomalies, liquid-liquid transitions, liquid-glass transitions, and liquid-solid transitions. We argue that for the physical description of these phenomena it is crucial to take into account many-body (orientational) correlations, which have been overlooked in the conventional liquid-state theory. It is essential to recognise that a liquid can lower its free energy by local or mesoscopic ordering without breaking global symmetry. Since such ordering must involve at least a central particle and its neighbours, which are more than two particles, it is intrinsically a consequence of many-body correlations. Particularly important ordering is associated with local breakdown of rotational symmetry, i.e., bond orientational ordering. We emphasize that translational ordering is global whereas orientational ordering can be local. Because of the strong first-order nature of translational ordering, its growth in a liquid state is modest. Thus any structural ordering in a liquid should be associated primarily with orientational ordering and not with translational ordering. We show that bond orientational ordering indeed plays a significant role in all the above-mentioned phenomena at least for (quasi-)single-component liquids. In this Introductory Lecture, we discuss how these phenomena can be explained by such local or mesoscopic ordering in a unified manner. PMID:24640485

Tanaka, Hajime

2013-01-01

320

To enhance the current understanding of mechanisms contributing to magnetic hyperfine interactions in excited states of atomic systems, in particular, alkali-metal atom systems, the hyperfine fields in the excited 5 2 S1\\/2 -8 2 S1\\/2 states of potassium and 8 2 S1\\/2 -1 2 2 S1\\/2 states of francium atoms have been studied using the relativistic linked-cluster many-body perturbation procedure.

Alfred Owusu; R. W. Dougherty; G. Gowri; T. P. Das; J. Andriessen

1997-01-01

321

We describe a many-body quantum system that can be made to quantum compute by the adiabatic application of a large applied field to the system. Prior to the application of the field, quantum information is localized on one boundary of the device, and after the application of the field, this information propagates to the other side of the device, with a quantum circuit applied to the information. The applied circuit depends on the many-body Hamiltonian of the material, and the computation takes place in a degenerate ground space with symmetry-protected topological order. Such “adiabatic quantum transistors” are universal adiabatic quantum computing devices that have the added benefit of being modular. Here, we describe this model, provide arguments for why it is an efficient model of quantum computing, and examine these many-body systems in the presence of a noisy environment.

Bacon, Dave; Flammia, Steven T.; Crosswhite, Gregory M.

2013-06-01

322

The nonadiabatic quantum tunneling picture, which may be called the many-body Schwinger-Landau-Zener mechanism, for the dielectric breakdown of Mott insulators in strong electric fields is studied in the one-dimensional Hubbard model. The tunneling probability is calculated by a metod due to Dykhne-Davis-Pechukas with an analytical continuation of the Bethe-ansatz solution for excited states to a non-Hermitian case. A remarkable agreement with the time-dependent density matrix renormalization group result is obtained.

Takashi Oka; Hideo Aoki

2009-11-19

323

Frustration in quantum many body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, to the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a consequence of the limits imposed by monogamy on entanglement shareability. We investigate the behavior of local pair frustration in quantum spin models with competing interactions on different length scales and show that valence bond solids associated to exact ground-state dimerization correspond to a transition from generic frustration, i.e. geometric, common to classical and quantum systems alike, to genuine quantum frustr...

Giampaolo, S M; Illuminati, F

2015-01-01

324

Photoelectron properties of DNA and RNA bases from many-body perturbation theory

The photoelectron properties of DNA and RNA bases are studied using many-body perturbation theory within the GW approximation, together with a recently developed Lanczos-chain approach. Calculated vertical ionization ...

Umari, Paolo

325

NASA Astrophysics Data System (ADS)

We revisit the momentum independent many-body t-matrix approach for boson systems developed by Shi and Griffin~\\cite{sg} and Bijlsma and Stoof~\\cite{bs}. Despite its popularity, simplicity, and expected advantage of being its applicability to both normal and superfluid phases, we find that the theory breaks down in the normal phase of bosons. We conjecture that this failure is due to neglecting of momentum dependence on the t-matrix.

De Silva, Theja

2014-12-01

326

Many-body effects in the spin-polarized electron transport through graphene nanoislands

Spin-polarized electron transport through zigzag-edged graphene nanoislands is studied within the framework of the Pariser-Parr-Pople Hamiltonian. By including both short- and long-range electron-electron interactions, the electron conductance is calculated self-consistently for the hexagonal model on various substrates from which we are able to identify the effects of the many-body interactions in the electron transport. For the system in its lowest antiferromagnetic (AFM) state, the long-range interactions are shown to have negligible effect on the electron transport in the low-energy region in which the conductance is found quenched mainly by the short-range interactions. As the system is excited to its second AFM state, the short- and long-range interactions are found to have opposite effects on the electron transmission, i.e., the electron transmission is found to increase with either the suppression of the long-range interactions or the enhancement of the short-range interactions. When the system moves further into the ferromagnetic state, the conductance becomes spin dependent and its resonance is shown to exhibit a blue shift in an environment with stronger long-range interactions. The distinct impact of short- and long-range electron-electron interactions are attributed to their different effects on the spin polarization in the model system.

Luo, Kaikai; Sheng, Weidong, E-mail: shengw@fudan.edu.cn [State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433 (China)

2014-02-07

327

Many-body exchange-overlap interactions in rare gases and water

NASA Astrophysics Data System (ADS)

Generalized-gradient approximations (GGAs) of density-functional theory can suffer from substantial many-body errors in molecular systems interacting through weak non-covalent forces. Here, the errors of a range of GGAs for the 3-body energies of trimers of rare gases and water are investigated. The patterns of 3-body errors are similar for all the systems, and are related to the form of the exchange-enhancement factor FX(x) at large reduced gradient x, which also governs 2-body exchange-overlap errors. However, it is shown that the 3-body and 2-body errors depend in opposite ways on FX(x), so that they tend to cancel in molecular aggregates. Embedding arguments are used to achieve a partial separation of contributions to 3-body error from polarization, non-local correlation, and exchange, and it emerges that exchange is a major contributor. The practical importance of beyond-2-body errors is illustrated by the energetics of the water hexamer. An analysis of exchange-energy distributions is used to elucidate why 2-body and 3-body errors of GGAs depend in opposite ways on FX(x). The relevance of the present analysis to a range of other molecular systems is noted.

Gillan, M. J.

2014-12-01

328

Numerical Analysis of Coherent Many-Body Currents in a Single Atom Transistor

We study the dynamics of many atoms in the recently proposed Single Atom Transistor setup [A. Micheli, A. J. Daley, D. Jaksch, and P. Zoller, Phys. Rev. Lett. 93, 140408 (2004)] using recently developed numerical methods. In this setup, a localised spin 1/2 impurity is used to switch the transport of atoms in a 1D optical lattice: in one state the impurity is transparent to probe atoms, but in the other acts as a single atom mirror. We calculate time-dependent currents for bosons passing the impurity atom, and find interesting many body effects. These include substantially different transport properties for bosons in the strongly interacting (Tonks) regime when compared with fermions, and an unexpected decrease in the current when weakly interacting probe atoms are initially accelerated to a non-zero mean momentum. We also provide more insight into the application of our numerical methods to this system, and discuss open questions about the currents approached by the system on long timescales.

A. J. Daley; S. R. Clark; D. Jaksch; P. Zoller

2005-06-29

329

A many-body Hamiltonian for nanoparticles immersed in a polymer solution.

We developed an analytical theory for the many-body potential of mean force (POMF) between N spheres immersed in a continuum chain fluid. The theory is almost exact for a ? polymer solution in the protein limit (small particles, long polymers), where N-body effects are important. Polydispersity in polymer length according to a Schulz-Flory distribution emerges naturally from our analysis, as does the transition to the monodisperse limit. The analytical expression for the POMF allows for computer simulations employing the complete N-body potential (i.e., without n-body truncation; n < N). These are compared with simulations of an explicit particle/polymer mixture. We show that the theory produces fluid structure in excellent agreement with the explicit model simulations even when the system is strongly fluctuating, e.g., at or near the spinodal region. We also demonstrate that other commonly used theoretical approaches, such as truncation of the POMF at the pair level or the Asakura Oosawa model, are extremely inaccurate for these systems. PMID:25547161

Woodward, Clifford E; Forsman, Jan

2015-01-13

330

Many-body Propagator Theory with Three-Body Interactions: a Path to Exotic Open Shell Isotopes

Ab-initio predictions of nuclei with masses up to A~100 or more is becoming possible thanks to novel advances in computations and in the formalism of many-body physics. Some of the most fundamental issues include how to deal with many-nucleon interactions, how to calculate degenerate--open shell--systems, and pursuing ab-initio approaches to reaction theory. Self-consistent Green's function (SCGF) theory is a natural approach to address these challenges. Its formalism has recently been extended to three- and many-body interactions and reformulated within the Gorkov framework to reach semi-magic open shell isotopes. These exciting developments, together with the predictive power of chiral nuclear Hamiltonians, are opening the path to understanding large portions of the nuclear chart, especially within the $sd$ and $pf$ shells. The present talk reviews the most recent advances in ab-initio nuclear structure and many-body theory that have been possible through the SCGF approach.

C. Barbieri

2014-06-11

331

Quantum Mechanics + Open Systems

Quantum Mechanics + Open Systems = Thermodynamics ? Jochen Gemmer TÂ¨ubingen, 09.02.2006 #12., World Scientific) #12;Fundamental Law or Emergent Description? Quantum Mechanics i t = (- 2 2m + V or Emergent Description? Quantum Mechanics i t = (- 2 2m + V ) "Heisenberg Cut" Classical Mechanics: m d2

Steinhoff, Heinz-JÃ¼rgen

332

A secure quantum identification system combining a classical identification procedure and quantum key distribution is proposed. Each identification sequence is always used just once and sequences are ``refueled'' from a shared provably secret key transferred through the quantum channel. Two identification protocols are devised. The first protocol can be applied when legitimate users have an unjammable public channel at their

Miloslav Dusek; Ondrej Haderka; Martin Hendrych; Robert Myska

1999-01-01

333

Maximizing kinetic energy transfer in one-dimensional many-body collisions

NASA Astrophysics Data System (ADS)

The main problem discussed in this paper involves a simple one-dimensional two-body collision, in which the problem can be extended into a chain of one-dimensional many-body collisions. The result is quite interesting, as it provides us with a thorough mathematical understanding that will help in designing a chain system for maximum energy transfer for a range of collision types. In this paper, we will show that there is a way to improve the kinetic energy transfer between two masses, and the idea can be applied recursively. However, this method only works for a certain range of collision types, which is indicated by a range of coefficients of restitution. Although the concept of momentum, elastic and inelastic collision, as well as Newton’s laws, are taught in junior college physics, especially in Singapore schools, students in this level are not expected to be able to do this problem quantitatively, as it requires rigorous mathematics, including calculus. Nevertheless, this paper provides nice analytical steps that address some common misconceptions in students’ way of thinking about one-dimensional collisions.

Ricardo, Bernard; Lee, Paul

2015-03-01

334

The Role of Many-Body Dispersion Interactions in Molecular Crystals

NASA Astrophysics Data System (ADS)

The structure, energetics, and electronic properties of molecular crystals are studied using density functional theory (DFT) with the recently developed many-body dispersion (MBD) method [Tkatchenko et al. Phys. Rev. Lett. 108, 236402 (2012)]. It is shown that accounting for the long-range electrostatic screening in extended systems is essential for obtaining the correct dielectric constants and ensuing optical properties of molecular crystals [Schatschneider et al., arXiv:1211.1683]. Furthermore, accounting for the non-additive many-center dispersion interactions is crucial for obtaining a highly accurate description of the energetics of molecular crystals. This includes lattice energies, sublimation enthalpies [Reilly et al., to be published], and relative stabilities of polymorphs [Marom et al. arXiv: 1210.5636] [4pt] In collaboration with Leslie Leiserowitz, Weizmann Institute of Science, Israel; Bohdan Schatschneider, The Pennsylvania State University, Fayette; Robert DiStasio, Princeton University; Anthony Reilly and Guo-Xu Zhang, Fritz Haber Institute of the Max Planck Society, Berlin; James Chelikowsky, The University of Texas at Austin; and Alexandre Tkatchenko, Fritz Haber Institute of the Max Planck Society, Berlin.

Marom, Noa

2013-03-01

335

A charge optimized many-body (COMB) potential for titanium and titania.

This work proposes an empirical, variable charge potential for Ti and TiO(2) systems based on the charge-optimized many-body (COMB) potential framework. The parameters of the potential function are fit to the structural and mechanical properties of the Ti hcp phase, the TiO(2) rutile phase, and the energetics of polymorphs of both Ti and TiO(2). The relative stabilities of TiO(2) rutile surfaces are predicted and compared to the results of density functional theory (DFT) and empirical potential calculations. The transferability of the developed potential is demonstrated by determining the adsorption energy of Cu clusters of various sizes on the rutile TiO(2)(1?1?0) surface using molecular dynamics simulations. The results indicate that the adsorption energy is dependent on the number of Cu-Cu bonds and Cu-O bonds formed at the Cu/TiO(2) interface. The adsorption energies of Cu clusters on the reduced and oxidized TiO(2)(1?1?0) surfaces are also investigated, and the COMB potential predicts enhanced bonding between Cu clusters and the oxidized surface, which is consistent with both experimental observations and the results of DFT calculations for other transition metals (Au and Ag) on this oxidized surface. PMID:24943265

Cheng, Yu-Ting; Shan, Tzu-Ray; Liang, Tao; Behera, Rakesh K; Phillpot, Simon R; Sinnott, Susan B

2014-08-01

336

Many-Body Effects on the Zero-Point Renormalization of the Band Structure

NASA Astrophysics Data System (ADS)

We compute the zero-point renormalization (ZPR) of the optical band gap of diamond from many-body perturbation theory using the perturbative G0W0 approximation as well as quasiparticle self-consistent GW. The electron-phonon coupling energies are found to be more than 40% higher than standard density functional theory when many-body effects are included with the frozen-phonon calculations. A similar increase is observed for the zero-point renormalization in GaAs when G0W0 corrections are applied. We show that these many-body corrections are necessary to accurately predict the temperature dependence of the band gap. The frozen-phonon method also allows us to validate the rigid-ion approximation which is always present in density functional perturbation theory.

Antonius, G.; Poncé, S.; Boulanger, P.; Côté, M.; Gonze, X.

2014-05-01

337

Convergence of the ab initio many-body expansion for the cohesive energy of solid mercury

NASA Astrophysics Data System (ADS)

A many-body expansion for mercury clusters of the form E=?i?i+?i

Paulus, Beate; Rosciszewski, Krzysztof; Gaston, Nicola; Schwerdtfeger, Peter; Stoll, Hermann

2004-10-01

338

To enhance the current understanding of mechanisms contributing to magnetic hyperfine interactions in excited states of atomic systems, in particular, alkali-metal atom systems, the hyperfine fields in the excited 5 2S1\\/2-8 2S1\\/2 states of potassium and 8 2S1\\/2-12 2S1\\/2 states of francium atoms have been studied using the relativistic linked-cluster many-body perturbation procedure. The net theoretical values of the hyperfine

Alfred Owusu; R. W. Dougherty; G. Gowri; T. P. Das; J. Andriessen

1997-01-01

339

Many-body and model-potential calculations of low-energy photoionization parameters for francium

Many-body and model-potential calculations of low-energy photoionization parameters for francium A parameter are calculated for the 7s state of francium for photon energies below 10 eV. Two distinct unknown p states in francium. PACS number s : 31.15.Md, 32.80.Fb, 33.60. q I. INTRODUCTION Remarkable

Johnson, Walter R.

340

Evolution of Nuclear Many-Body Forces with the Similarity Renormalization Group

The first practical method to evolve many-body nuclear forces to softened form using the Similarity Renormalization Group (SRG) in a harmonic oscillator basis is demonstrated. When applied to 4He calculations, the two- and three-body oscillator matrix elements yield rapid convergence of the ground-state energy with a small net contribution of the induced four-body force.

Jurgenson, E D; Navratil, P; Furnstahl, R J

2009-05-01

341

Many-body theory of positron-atom interactions G. F. Gribakin* and J. Ludlow

Many-body theory of positron-atom interactions G. F. Gribakin* and J. Ludlow Department of Applied for the problem of positron-atom scattering and annihilation. Strong electron-positron correlations are included nonperturbatively through the calculation of the electron- positron vertex function. It corresponds to the sum

Gribakin, Gleb

342

The Description of Collective Motions in Terms of Many-Body Perturbation Theory

In this and a succeeding paper it is shown how a theory equivalent to the Bohm & Pines collective motion theory of the electron plasma can be derived directly from a perturbation series which gives in principle an exact solution of the many-body problem. This result is attained by making use of a diagrammatic method of analysis of the perturbation

J. Hubbard

1957-01-01

343

Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base

NASA Astrophysics Data System (ADS)

We investigate the optical properties of the tZt- penta-3,5- dieniminium cation, a simplified model for the protonated Schiff base of 11- cis retinal in rhodopsin, along the isomerization pathway by ab-initio calculations based on Many-Body Perturbation Theory using the GW method and the Bethe-Salpeter equation. Our calculations are carried out on a few significant CASSCF geometrical configurations of the isomerization minimal energy path taken from the literature. Our excitation energies are qualitatively in agreement with previous Quantum Monte Carlo and post-Hartree-Fock calculations. We also employ TDDFT based methods, and investigate the outcome of using different approximations and several exchange-correlation functionals.

Conte, Adriano Mosca; Guidoni, Leonardo; Del Sole, Rodolfo; Pulci, Olivia

2011-10-01

344

Quantum Clocks and the Origin of Time in Complex Systems

The origin and nature of time in complex systems is explored using quantum (or 'Feynman') clocks and the signals produced by them. Networks of these clocks provide the basis for the evolution of complex systems. The general concept of 'time' is translated into the 'lifetimes' of these unstable configurations of matter. 'Temporal phase transitions' mark the emergence of classical properties such as irreversibility, entropy, and thermodynamic arrows of time. It is proposed that the creation of the universe can be modeled as a quantum clock. Keywords: the problem of time, the arrow of time, time asymmetry, the many-body problem, cellular networks, complexity, the Wheeler-DeWitt equation, quantum cosmology, and instantons.

Scott Hitchcock

1999-02-20

345

We have combined the idea of renormalization group and quantum-information theory. We have shown how the entanglement or concurrence evolve as the size of the system becomes large, i.e., the finite size scaling is obtained. Moreover, we introduce how the renormalization-group approach can be implemented to obtain the quantum-information properties of a many-body system. We have obtained the concurrence as a measure of entanglement, its derivatives and their scaling behavior versus the size of system for the one-dimensional Ising model in transverse field. We have found that the derivative of concurrence between two blocks each containing half of the system size diverges at the critical point with the exponent, which is directly associated with the divergence of the correlation length.

Kargarian, M. [Physics Department, Sharif University of Technology, Tehran 11155-9161 (Iran, Islamic Republic of); Jafari, R. [Institute for Advanced Studies in Basic Sciences, Zanjan 45195-1159 (Iran, Islamic Republic of); Institute for Studies in Theoretical Physics and Mathematics, Tehran 19395-5531 (Iran, Islamic Republic of); Langari, A. [Physics Department, Sharif University of Technology, Tehran 11155-9161 (Iran, Islamic Republic of); Institute for Studies in Theoretical Physics and Mathematics, Tehran 19395-5531 (Iran, Islamic Republic of)

2007-12-15

346

The aim of quantum system identification is to estimate the ingredients inside a black box, in which some quantum-mechanical unitary process takes place, by just looking at its input-output behavior. Here we establish a basic and general framework for quantum system identification, that allows us to classify how much knowledge about the quantum system is attainable, in principle, from a given experimental setup. Prior knowledge on some elements of the black box helps the system identification. We present an example in which a Bell measurement is more efficient to identify the system. When the topology of the system is known, the framework enables us to establish a general criterion for the estimability of the coupling constants in its Hamiltonian.

Daniel Burgarth; Kazuya Yuasa

2011-04-04

347

Thermalization in Quantum Systems: An Emergent Approach

The problems with an emergent approach to quantum statistical mechanics are discussed and shown to follow from some of the same sources as those of quantum measurement. A wavefunction of an N atom solid is described in the ground and excited eigenstates with explicit modifications for phonons. Using the particular subclass of wavefunctions that can correspond to classical solids we investigate the localization properties of atomic centers of mass motion and contrast it with more general linear combinations of phonon states. The effectively large mass of longer modes means that localization present in the ground state persists on excitation of the material by macroscopic coherent disturbances. The "thermalization" that arises then follows from the long term well defined motion of these localized peaks in their 3N dimensional harmonic wells in the same fashion as that of a classical solid in phase space. Thermal production of photons then create an internal radiation field and provides the first dynamical derivation of the Planck distribution from material motions. Significantly, this approach resolves a long standing paradox of thermalization of many body quantum systems from Schr\\"{o}dinger dynamics alone.

Clifford Chafin

2015-02-23

348

The hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-T{sub c} superconductors over a wide doping range that reveal a hierarchy of many-body interaction scales focused on: the low energy anomaly ('kink') of 0.03-0.09eV, a high energy anomaly of 0.3-0.5eV, and an anomalous enhancement of the width of the LDA-based CuO{sub 2} band extending to energies of {approx} 2 eV. Besides their universal behavior over the families, we find that all of these three dispersion anomalies also show clear doping dependence over the doping range presented.

Meevasana, W.

2010-05-03

349

Hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-T{sub c} superconductors over a wide doping range that reveal a hierarchy of many-body interaction scales focused on: the low energy anomaly ('kink') of 0.03-0.09eV, a high energy anomaly of 0.3-0.5eV, and an anomalous enhancement of the width of the LDA-based CuO{sub 2} band extending to energies of {approx} 2 eV. Besides their universal behavior over the families, we find that all of these three dispersion anomalies also show clear doping dependence over the doping range presented.

Hussain, Zahid; Meevasana, W.; Zhou, X.J.; Sahrakorpi, S.; Lee, W.S.; Yang, W.L.; Tanaka, K.; Mannella, N.; Yoshida, T.; Lu, D.H.; Chen, Y.L.; He, R.H.; Lin, Hsin; Komiya, S.; Ando, Y.; Zhou, F.; Ti, W.X.; Xiong, J.W.; Zhao, Z.X.; Sasagawa, T.; Kakeshita, T.; Fujita, K.; Uchida, S.; Eisaki, H.; Fujimori, A.; Hussain, Z.; Markiewicz, R.S.; Bansil, A.; Nagaosa, N.; Zaanen, J.; Devereaux, T.P.; Shen, Z.X.

2006-12-21

350

Many-body properties of a disordered charged Bose gas superlattice

NASA Astrophysics Data System (ADS)

We study some many-body properties of a disordered charged Bose gas (CBG) superlattice—an infinite array of CBG layers each of which containing disorder. The latter is assumed to cause collisions with the charged bosons, the effect of collisions being taken into account through a number-conserving relaxation time approximation incorporated within the random phase approximation (RPA) at T = 0. We go beyond the RPA and include a local-field correction G( q, qz) which is assumed to be collision independent, as an approximation. The resulting density-density correlation function is then used to calculate a number of many-body quantities of physical interest, e.g. (a) collective modes, (b) static structure factor, (c) energy-loss function, (d) plasmon density of states, and (e) ground-state energy. The effects of collisions on these quantities are discussed, and the results are compared with the corresponding results for an electron gas superlattice.

Tanatar, B.; Das, A. K.

2000-01-01

351

Tuning Many-Body Interactions in Graphene: The Effects of Doping on Excitons and Carrier Lifetimes

NASA Astrophysics Data System (ADS)

The optical properties of graphene are strongly affected by electron-electron (e-e) and electron-hole (e-h) interactions. Here we tune these many-body interactions through varying the density of free charge carriers. Measurements from the infrared to the ultraviolet reveal significant changes in the optical conductivity of graphene for both electron and hole doping. The shift, broadening, and modification in shape of the saddle-point exciton resonance reflect strong screening of the many-body interactions by the carriers, as well as changes in quasiparticle lifetimes. Ab initio calculations by the GW Bethe-Salpeter equation method, which take into account the modification of both the repulsive e-e and the attractive e-h interactions, provide excellent agreement with experiment. Understanding the optical properties and high-energy carrier dynamics of graphene over a wide range of doping is crucial for both fundamental graphene physics and for emerging applications of graphene in photonics.

Mak, Kin Fai; da Jornada, Felipe H.; He, Keliang; Deslippe, Jack; Petrone, Nicholas; Hone, James; Shan, Jie; Louie, Steven G.; Heinz, Tony F.

2014-05-01

352

Short-time-evolved wave functions for solving quantum many-body problems

converges essentially to the exact ground state in a relatively short time. Thus a short-time evolved wave function can be an excellent approximation to the exact ground state. Such a short-time-evolved wave function can be obtained by factorizing...

Ciftja, O.; Chin, Siu A.

2003-01-01

353

The relativistic many-body perturbation theory (MBPT) calculations for matrix elements of divalent atoms and ions is extended to third-order. The one-particle and two-particle contributions are carefully examined and a complete angular reduction of the third-order amplitudes is carried out. Example calculations are performed on beryllium and magnesium isoelectronic sequences. Oscillator strengths, transition probabilities, and lifetimes are calculated for selected ions.

Dansha Jiang

2010-01-01

354

Hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-T{sub c} superconductors over a wide doping range that reveal a hierarchy

Zahid Hussain; W. Meevasana; X. J. Zhou; S. Sahrakorpi; W. S. Lee; W. L. Yang; K. Tanaka; N. Mannella; T. Yoshida; D. H. Lu; Y. L. Chen; R. H. He; Hsin Lin; S. Komiya; Y. Ando; F. Zhou; W. X. Ti; J. W. Xiong; Z. X. Zhao; T. Sasagawa; T. Kakeshita; K. Fujita; S. Uchida; H. Eisaki; A. Fujimori; R. S. Markiewicz; A. Bansil; N. Nagaosa; J. Zaanen; T. P. Devereaux; Z. X. Shen

2006-01-01

355

Hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher-energy scale, we present improved experimental data from four families of high- Tc superconductors over a wide doping range that reveal a hierarchy of

W. Meevasana; X. J. Zhou; S. Sahrakorpi; A. Bansil; T. Yoshida; N. Mannella; F. Zhou; Y. L. Chen; T. Sasagawa; K. Fujita; S. Komiya; W. X. Ti; J. W. Xiong; Z. X. Zhao; T. Kakeshita; K. Fujita; S. Uchida; H. Eisaki; A. Fujimori; Z. Hussain; R. S. Markiewicz; N. Nagaosa; J. Zaanen; T. P. Devereaux; Z.-X. Shen

2007-01-01

356

The hyperfine structure of caesium and francium levels has been calculated using the relativistic Hartree-Fock (RHF) method and with the correlations being taken into account by means of the many-body perturbation theory. The hyperfine interaction has been included in the Hartree-Fock equations. The effect of the finite size of the nucleus has been considered. For the s and p1\\/2 states,

V A Dzuba; V V Flambaum; O P Sushkov

1984-01-01

357

Quasi-Genes: The Many-Body Theory of Gene Regulation in the Presence of Decoys

NASA Astrophysics Data System (ADS)

During transcriptional regulation, transcription factor proteins bind to particular sites in the genome in order to switch genes on or off. The regulatory binding site intended for a transcription factor is just one out of millions of potential sites where the transcription factor can bind. Specificity of a binding motif determines whether less than one or up to tens of thousands of strong affinity binding sites can be expected by pure chance. The roles that these additional "decoy" binding sites play in the functioning of a cell are currently unknown. We incorporate decoys into traditional mass action and stochastic models of a simple gene network-the self-regulated gene-and use numerical and analytical techniques to quantify the effects that these extra sites have on altering gene expression properties. Counter-intuitively, we find that if bound transcription factors are protected from degradation, the mean steady state concentration of unbound transcription factors,

Burger, Anat

358

We derive expressions of interatomic force and heat current for many-body potentials such as the Tersoff, the Brenner, and the Stillinger-Weber potential used extensively in molecular dynamics simulations of covalently bonded materials. Although these potentials have a many-body nature, a pairwise force expression that follows Newton's third law can be found without referring to any partition of the potential. Based on this force formula, a stress applicable for periodic systems can be unambiguously defined. The force formula can then be used to derive the heat current formulas using a natural potential partitioning. Our heat current formulation is found to be equivalent to most of the seemingly different heat current formulas used in the literature, but to deviate from the stress-based formula derived from two-body potential. We validate our formulation numerically on various systems descried by the Tersoff potential, namely three-dimensional silicon and diamond, two-dimensional graphene, and quasi-one-dimen...

Fan, Zheyong; Wang, Hui-Qiong; Zheng, Jin-Cheng; Donadio, Davide; Harju, Ari

2015-01-01

359

NASA Astrophysics Data System (ADS)

Time Dependent Density Functional Theory (TDDFT) is a promising method for a calculation of excitation energies of many-electron systems. However, the analytical properties of the dynamic exchange-correlation kernel f_xc, which plays a key role in TDDFT (similar to xc-potential in DFT), are largely unknown. We present diagrammatic rules for a perturbative expansion of f_xc using the Kohn-Sham-based many-body diagrammatic technique [1]. We show that f_xc(ømega_ij) has no singularities at Kohn-Sham transition energies ømega_ij in every order of the perturbation theory. However, it may diverge with the system size if the states |i > and |j > are delocalized. This signifies that any approximate perturbative substitute for f_xc requires a consistent perturbative treatment of the response function to avoid uncontrollable errors in the many-body corrections to the excitations energies. [1] I. V. Tokatly and O.Pankratov, Phys. Rev. Lett. extbf86, 2078 (2001).

Pankratov, Oleg; Tokatly, Ilya V.; Stubner, Ralf

2002-03-01

360

Quantum chaotic tunneling in graphene systems with electron-electron interactions

NASA Astrophysics Data System (ADS)

An outstanding and fundamental problem in contemporary physics is to include and probe the many-body effect in the study of relativistic quantum manifestations of classical chaos. We address this problem using graphene systems described by the Hubbard Hamiltonian in the setting of resonant tunneling. Such a system consists of two symmetric potential wells separated by a potential barrier, and the geometric shape of the whole domain can be chosen to generate integrable or chaotic dynamics in the classical limit. Employing a standard mean-field approach to calculating a large number of eigenenergies and eigenstates, we uncover a class of localized states with near-zero tunneling in the integrable systems. These states are not the edge states typically seen in graphene systems, and as such they are the consequence of many-body interactions. The physical origin of the non-edge-state type of localized states can be understood by the one-dimensional relativistic quantum tunneling dynamics through the solutions of the Dirac equation with appropriate boundary conditions. We demonstrate that, when the geometry of the system is modified to one with chaos, the localized states are effectively removed, implying that in realistic situations where many-body interactions are present, classical chaos is capable of facilitating greatly quantum tunneling. This result, besides its fundamental importance, can be useful for the development of nanoscale devices such as graphene-based resonant-tunneling diodes.

Ying, Lei; Wang, Guanglei; Huang, Liang; Lai, Ying-Cheng

2014-12-01

361

NASA Astrophysics Data System (ADS)

The relativistic many-body perturbation theory (MBPT) calculations for matrix elements of divalent atoms and ions is extended to third-order. The one-particle and two-particle contributions are carefully examined and a complete angular reduction of the third-order amplitudes is carried out. Example calculations are performed on beryllium and magnesium isoelectronic sequences. Oscillator strengths, transition probabilities, and lifetimes are calculated for selected ions. Significant improvement in comparison with second-order MBPT results is observed. The relativistic all-order method is introduced for high-precision calculations of atomic properties in monovalent systems, where all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function are included to all orders of perturbation theory. Energies, reduced electric-dipole matrix elements and lifetimes are calculated and compared with available experiments for the low-lying excited np and nd states in Sr+, Ba+ and Ra+ atoms. Electric-quadrupole moments of the metastable nd3/2 and nd 5/2 states of Ca+, Sr+, and Ba+ are evaluated for the optical clock development applications. Third-order MBPT is used to evaluate the contributions from high partial waves and Breit interaction, and a semi-empirical scaling procedure is carried out to evaluate the remaining omitted correlation corrections. An extensive study of the uncertainties establishes the accuracy of our recommended values as 0.5 - 1% depending on the particular ion. Extra attention is paid to the 5 s-4d5/2 clock transition in 88 Sr+. The scalar polarizabilities of the 5s and 4d5/2 states and the tensor polarizability of the 4d5/2 state are calculated through the summation of individual possible dipole transition contributions. A complete analysis on the uncertainties of the static polarizabilities. The black-body radiation (BBR) shift is evaluated to be 0.250(9) Hz at room temperature, T = 300 K. The dynamic correction to the electric-dipole contribution and the multipolar corrections due to M1 and E2 transitions were estimated and found to be small at the present level of accuracy. CI + all-order method is used for the calculations of the atomic properties in the divalent systems. This method combines the all-order approach currently used in precision calculations of monovalent system with the configuration-interaction (CI) approach that is applicable for many-electron systems. Energies are calculated in different orders of approximations for several low-lying excited states in the divalent systems from Mg to Hg. The results are compared with experiments. The static and frequency-dependent polarizabilities are evaluated for the lowest nsns 1S0 and nsnp 3P0 states in Sr, Zn, Cd, and Hg atoms. Magic wavelengths are found for the 1 S0 -3 P 0 transitions in those systems by matching the ac Stark shifts of the upper and lower states. The preliminary magic wavelength for the Sr system is in 0.03% agreement with the recent high-precision experiment performed by Brusch et al. [PRL, 96, 103003(2006)]. Other preliminary calculations are performed for the electric-dipole transition matrix elements in Sr, Zn, Cd, and Hg atoms. Transition rates of the ns 2 1S0-nsnp 1P1 resonant line and the ns 2 1S0-nsnp 3P1 intercombination line are evaluated for these systems. Major contributions to the scattering rates are evaluated for the cases where atoms are trapped at their magic wavelengths with a shallow potential depth.

Jiang, Dansha

362

The key feature of a quantum spin coupled to a harmonic bath---a model dissipative quantum system---is competition between oscillator potential energy and spin tunneling rate. We show that these opposing tendencies cause environmental entanglement through superpositions of adiabatic and antiadiabatic oscillator states, which then stabilizes the spin coherence against strong dissipation. This insight motivates a fast-converging variational coherent-state expansion for the many-body ground state of the spin-boson model, which we substantiate via numerical quantum tomography.

Soumya Bera; Serge Florens; Harold U. Baranger; Nicolas Roch; Ahsan Nazir; Alex W. Chin

2014-03-20

363

Quantum dephasing of a two-state system by a nonequilibrium harmonic oscillator

In this paper, we investigate coherent quantum dynamics in a nonequilibrium environment. We focus on a two-state quantum system strongly coupled to a single classical environmental oscillator, and explore the effect of nonstationary statistical properties of the oscillator on the quantum evolution. A simple nonequilibrium model, consisting of an oscillator with a well-defined initial phase which undergoes subsequent diffusion, is introduced and studied. Approximate but accurate analytic expressions for the evolution of the off-diagonal density matrix element of the quantum system are derived in the second-order cumulant approximation. The effect of the initial phase choice on the subsequent quantum evolution is quantified. It is observed that the initial phase can have a significant effect on the preservation of coherence on short time scales, suggesting this variable as a control parameter for optimizing coherence in many-body quantum systems.

Martens, Craig C. [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)

2013-07-14

364

Communication: Dominance of extreme statistics in a prototype many-body Brownian ratchet

Many forms of cell motility rely on Brownian ratchet mechanisms that involve multiple stochastic processes. We present a computational and theoretical study of the nonequilibrium statistical dynamics of such a many-body ratchet, in the specific form of a growing polymer gel that pushes a diffusing obstacle. We find that oft-neglected correlations among constituent filaments impact steady-state kinetics and significantly deplete the gel's density within molecular distances of its leading edge. These behaviors are captured quantitatively by a self-consistent theory for extreme fluctuations in filaments' spatial distribution.

Hohlfeld, Evan, E-mail: evanhohlfeld@gmail.com [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Geissler, Phillip L., E-mail: geissler@berkeley.edu [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Chemistry, University of California, Berkeley, California 94720 (United States)

2014-10-28

365

Two novel classes of solvable many-body problems of goldfish type with constraints

NASA Astrophysics Data System (ADS)

Two novel classes of many-body models with nonlinear interactions 'of goldfish type' are introduced. They are solvable provided the initial data satisfy a single constraint (in one case; in the other, two constraints), i.e., for such initial data the solution of their initial-value problem can be achieved via algebraic operations, such as finding the eigenvalues of given matrices or equivalently the zeros of known polynomials. Entirely isochronous versions of some of these models are also exhibited, i.e., versions of these models whose nonsingular solutions are all completely periodic with the same period.

Calogero, F.; Gómez-Ullate, D.

2007-05-01

366

Self-Consistent RPA based on a Many-Body Vacuum

Self-Consistent RPA is extended in a way so that it is compatable with a variational ansatz for the ground state wave function as a fermionic many-body vacuum. Employing the usual equation of motion technique, we arrive at extended RPA equations of the Self Consistent RPA structure. In principle the Pauli principle is, therefore, fully respected. However, the correlation functions entering the RPA matrix can only be obtained from a systematic expansion in powers of some combinations of RPA amplitudes. We demonstrate for a model case that this expansion may converge rapidly.

Mohsen Jemai; Peter Schuck

2010-11-23

367

Many-body and model-potential calculations of low-energy photoionization parameters for francium

The photoionization cross section $\\\\sigma$, spin-polarization parameters $P$\\u000aand $Q$, and the angular-distribution asymmetry parameter $\\\\beta$ are\\u000acalculated for the $7s$ state of francium for photon energies below 10 eV. Two\\u000adistinct calculations are presented, one based on many-body perturbation theory\\u000aand another based on the model potential method. Although predictions of the\\u000atwo calculations are similar, the detailed energy

A. Derevianko; W. R. Johnson; H. R. Sadeghpour

2000-01-01

368

Dominance of extreme statistics in a prototype many-body Brownian ratchet

Many forms of cell motility rely on Brownian ratchet mechanisms that involve multiple stochastic processes. We present a computational and theoretical study of the nonequilibrium statistical dynamics of such a many-body ratchet, in the specific form of a growing polymer gel that pushes a diffusing obstacle. We find that oft-neglected correlations among constituent filaments impact steady-state kinetics and significantly deplete the gel's density within molecular distances of its leading edge. These behaviors are captured quantitatively by a self-consistent theory for extreme fluctuations in filaments' spatial distribution.

Evan Hohlfeld; Phillip L. Geissler

2014-11-05

369

Topographical fingerprints of many-body interference in STM junctions on thin insulating films

NASA Astrophysics Data System (ADS)

Negative differential conductance is a nonlinear transport phenomenon ubiquitous in molecular nanojunctions. Its physical origin can be the most diverse. In rotationally symmetric molecules with orbitally degenerate many-body states it can be ascribed to interference effects. We establish in this paper a criterion to identify the interference blocking scenario by correlating the spectral and the topographical information achievable in a scanning tunneling microscopy (STM) single-molecule measurement. Simulations of current-voltage characteristics as well as constant-height and constant-current STM images for a Cu-phthalocyanine on a thin insulating film are presented as experimentally relevant examples.

Donarini, Andrea; Siegert, Benjamin; Sobczyk, Sandra; Grifoni, Milena

2012-10-01

370

Communication: Dominance of extreme statistics in a prototype many-body Brownian ratchet.

Many forms of cell motility rely on Brownian ratchet mechanisms that involve multiple stochastic processes. We present a computational and theoretical study of the nonequilibrium statistical dynamics of such a many-body ratchet, in the specific form of a growing polymer gel that pushes a diffusing obstacle. We find that oft-neglected correlations among constituent filaments impact steady-state kinetics and significantly deplete the gel's density within molecular distances of its leading edge. These behaviors are captured quantitatively by a self-consistent theory for extreme fluctuations in filaments' spatial distribution. PMID:25362262

Hohlfeld, Evan; Geissler, Phillip L

2014-10-28

371

Calculations of photoionization cross sections for alkali-metal atoms are carried out in the framework of relativistic many-body perturbation theory (RMBPT) using quasicontinuum B-spline orbitals. All third-order terms are included, in contrast to previous calculations based on either random-phase approximation (RPA), Brueckner orbitals, or their combination. The particular advantage of quasicontinuum states is that high-order MBPT codes do not require modification for applications to the photoionization problem. The agreement with experiment is improved compared to RPA and Dirac-Hartree-Fock approximations. The results also exhibit close form invariance. The presented formalism can be extended to other photoionizing transitions.

Savukov, I. M. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

2007-09-15

372

Communication: Dominance of extreme statistics in a prototype many-body Brownian ratchet

NASA Astrophysics Data System (ADS)

Many forms of cell motility rely on Brownian ratchet mechanisms that involve multiple stochastic processes. We present a computational and theoretical study of the nonequilibrium statistical dynamics of such a many-body ratchet, in the specific form of a growing polymer gel that pushes a diffusing obstacle. We find that oft-neglected correlations among constituent filaments impact steady-state kinetics and significantly deplete the gel's density within molecular distances of its leading edge. These behaviors are captured quantitatively by a self-consistent theory for extreme fluctuations in filaments' spatial distribution.

Hohlfeld, Evan; Geissler, Phillip L.

2014-10-01

373

Topology, localization, and quantum information in atomic, molecular and optical systems

NASA Astrophysics Data System (ADS)

The scientific interface between atomic, molecular and optical (AMO) physics, condensed matter, and quantum information science has recently led to the development of new insights and tools that bridge the gap between macroscopic quantum behavior and detailed microscopic intuition. While the dialogue between these fields has sharpened our understanding of quantum theory, it has also raised a bevy of new questions regarding the out-of-equilibrium dynamics and control of many-body systems. This thesis is motivated by experimental advances that make it possible to produce and probe isolated, strongly interacting ensembles of disordered particles, as found in systems ranging from trapped ions and Rydberg atoms to ultracold polar molecules and spin defects in the solid state. The presence of strong interactions in these systems underlies their potential for exploring correlated many-body physics and this thesis presents recent results on realizing fractionalization and localization. From a complementary perspective, the controlled manipulation of individual quanta can also enable the bottom-up construction of quantum devices. To this end, this thesis also describes blueprints for a room-temperature quantum computer, quantum credit cards and nanoscale quantum thermometry.

Yao, Norman Ying

374

Quantifying many-body effects by high-resolution Fourier transform scanning tunneling spectroscopy.

High-resolution Fourier transform scanning tunneling spectroscopy (FT-STS) is used to study many-body effects on the surface state of Ag(111). Our results reveal a kink in the otherwise parabolic band dispersion of the surface electrons and an increase in the quasiparticle lifetime near the Fermi energy Ef. The experimental data are accurately modeled with the T-matrix formalism for scattering from a single impurity, assuming that the surface electrons are dressed by the electron-electron and electron-phonon interactions. We confirm the latter as the interaction responsible for the deviations from bare dispersion. We further show how FT-STS can be used to simultaneously extract real and imaginary parts of the self-energy for both occupied and unoccupied states with a momentum and energy resolution competitive with angle-resolved photoemission spectroscopy. From our quantitative analysis of the data we extract a Debye energy of ??D=14±1??meV and an electron-phonon coupling strength of ?=0.13±0.02, consistent with previous results. This proof-of-principle measurement advances FT-STS as a method for probing many body effects, which give rise to a rich array of material properties. PMID:24483688

Grothe, S; Johnston, S; Chi, Shun; Dosanjh, P; Burke, S A; Pennec, Y

2013-12-13

375

Establishing conservation laws in pair-correlated many-body theories: T-matrix approaches

NASA Astrophysics Data System (ADS)

We address conservation laws associated with current, momentum, and energy and show how they can be satisfied within many body theories which focus on pair correlations. Of interest are two well known T-matrix theories which represent many body theories which incorporate pairing in the normal state. The first of these is associated with the Nozieres Schmitt-Rink theory, while the second involves the T matrix of a BCS-Leggett-like state as identified by Kadanoff and Martin. T-matrix theories begin with an ansatz for the single particle self energy and are to be distinguished from ?-derivable theories which introduce an ansatz for a particular contribution to the thermodynamical potential. Conservation laws are equivalent to Ward identities which we address in some detail here. Although ?-derivable theories are often referred to as "conserving theories," a consequence of this work is the demonstration that these two T-matrix approaches similarly can be made to obey all conservation laws. When simplifying approximations are made in ?-derivable or other theories, one has to take care that the end results are not incompatible with conservation.

He, Yan; Levin, K.

2014-01-01

376

Experimental observation of spin-dependent electron many-body effects in CdTe

In semiconductors, the spin degree of freedom is usually disregarded in the theoretical treatment of electron many-body effects such as band-gap renormalization and screening of the Coulomb enhancement factor. Nevertheless, as was observed experimentally in GaAs, not only the single-particle phase-space filling but also many-body effects are spin sensitive. In this paper, we report on time- and polarization-resolved differential transmission pump-probe measurements in CdTe, which has the same zincblende crystal structure but different material parameters compared to that of GaAs. We show experimentally that at room temperature in CdTe—unlike in GaAs—the pump-induced decrease of transmission due to the band-gap renormalization can even exceed the transmission increase due to the phase-space filling, which enables to measure directly the spin-sensitivity of the band-gap renormalization. We also observed that the influence of the band-gap renormalization is more prominent at low temperatures.

Horodyská, P.; N?mec, P., E-mail: nemec@karlov.mff.cuni.cz; Novotný, T.; Trojánek, F.; Malý, P. [Faculty of Mathematics and Physics, Charles University in Prague, Ke Karlovu 3, 121 16 Prague 2 (Czech Republic)

2014-08-07

377

Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in electronic structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the local adjustment of the basis set quality. Given a series of locally supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of local correlated many-body methods of electronic structure theory, especially those directly based on atomic orbitals (or any other localized basis functions).

Liakh, Dmitry I [ORNL] [ORNL

2014-01-01

378

A Relativistic Many-Body Analysis of the Electric Dipole Moment of $^{223}$Rn

We report the results of our {\\it ab initio} relativistic many-body calculations of the electric dipole moment (EDM) $d_A$ arising from the electron-nucleus tensor-pseudotensor (T-PT) interaction, the interaction of the nuclear Schiff moment (NSM) with the atomic electrons and the electric dipole polarizability $\\alpha_d$ for $^{223}$Rn. Our relativistic random-phase approximation (RPA) results are substantially larger than those of lower-order relativistic many-body perturbation theory (MBPT) and the results based on the relativistic coupled-cluster (RCC) method with single and double excitations (CCSD) are the most accurate to date for all the three properties that we have considered. We obtain $d_A = 4.85(6) \\times 10^{-20} C_T \\ |e| \\ cm$ from T-PT interaction, $d_A=2.89(4) \\times 10^{-17} {S/(|e|\\ fm^3)}$ from NSM interaction and $\\alpha_d=35.27(9) \\ ea_0^3$. The former two results in combination with the measured value of $^{223}$Rn EDM, when it becomes available, could yield the best limits for the T-PT coupling constant, EDMs and chromo-EDMs of quarks and $\\theta_{QCD}$ parameter, and would thereby shed light on leptoquark and supersymmetric models that predict CP violation.

B. K. Sahoo; Yashpal Singh; B. P. Das

2014-10-20

379

Relativistic many-body analysis of the electric dipole moment of 223Rn

NASA Astrophysics Data System (ADS)

We report the results of our ab initio relativistic many-body calculations of the electric dipole moment (EDM) dA arising from the electron-nucleus tensor-pseudotensor (T-PT) interaction, the interaction of the nuclear Schiff moment (NSM) with the atomic electrons and the electric dipole polarizability ?d for 223Rn . Our relativistic random-phase approximation results are substantially larger than those of lower-order relativistic many-body perturbation theory and the results based on the relativistic coupled-cluster method with single and double excitations are highly accurate for all three properties that we have considered. We obtain dA=4.85 (6 ) ×10-20 CT|e | cm from T-PT interaction, dA=2.89 (4 ) ×10-17S /(|e |fm3) from NSM interaction, and ?d=35.27 (9 ) e a03 . The former two results in combination with the measured value of 223Rn EDM, when it becomes available, could yield the best limits for the T-PT coupling constant, EDMs, and chromo-EDMs of quarks and ?QCD parameter, and would thereby shed light on leptoquark and supersymmetric models that predict C P violation.

Sahoo, B. K.; Singh, Yashpal; Das, B. P.

2014-11-01

380

NASA Astrophysics Data System (ADS)

An accurate description of electronic excitations is essential to model and understand the properties of several materials of fundamental and technological interest. First principles, many-body techniques based on Green's functions are promising approaches that can provide an accurate description of excited state properties; however their applicability has long been hindered by their numerical complexity. In this talk we will summarize some recent methodological developments based on many-body perturbation theory for the efficient calculation of optical absorption spectra [1], photoemission spectra [2], and multiple exciton generation rates [3]. Several applications to realistic materials will be presented, with emphasis on materials for solar energy applications; these include silicon nanowires and bulk tungsten oxide, that are promising photoelectrode materials in water splitting solar cells, molecules used in organic photovoltaics, and semiconductor nanoparticles with potential use in third generation photovoltaic cells based on multiple exciton generation. Work done in collaboration with Y. Ping, T. A. Pham, M. Voros, D. Lu, H.-V. Nguyen, S. Wippermann, A. Gali, G. T. Zimanyi, and G. Galli.[4pt] ^*Present address[4pt] [1] D. Rocca, D. Lu,G. Galli, J. Chem. Phys. 133, 164109 (2010); D. Rocca, Y. Ping, R. Gebauer, G. Galli, Phys. Rev. B 85, 045116 (2012).[0pt] [2] H.-V. Nguyen, T.A. Pham, D. Rocca, G. Galli, Phys. Rev. B 85, 081101 (2012).[0pt] [3] M. Voros, D. Rocca, G. Galli, G.T. Zimanyi, A. Gali, submitted (2012).

Rocca, Dario

2013-03-01

381

A degenerate dynamical system is characterized by a symplectic structure whose rank is not constant throughout phase space. Its phase space is divided into causally disconnected, nonoverlapping regions in each of which the rank of the symplectic matrix is constant, and there are no classical orbits connecting two different regions. Here the question of whether this classical disconnectedness survives quantization is addressed. Our conclusion is that in irreducible degenerate systems-in which the degeneracy cannot be eliminated by redefining variables in the action-the disconnectedness is maintained in the quantum theory: there is no quantum tunnelling across degeneracy surfaces. This shows that the degeneracy surfaces are boundaries separating distinct physical systems, not only classically, but in the quantum realm as well. The relevance of this feature for gravitation and Chern-Simons theories in higher dimensions cannot be overstated.

Micheli, Fiorenza de [Centro de Estudios Cientificos, Arturo Prat 514, Valdivia (Chile); Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, Casilla 4059, Valparaiso (Chile); Zanelli, Jorge [Centro de Estudios Cientificos, Arturo Prat 514, Valdivia (Chile); Universidad Andres Bello, Av. Republica 440, Santiago (Chile)

2012-10-15

382

exciton representation of optical response. This formalism is applied to predict coherent four wave mixing-resolved diffraction. Nonlinear x-ray spectroscopy can monitor the dynamics such as making and breaking of chemical provides an exact many-body formulation which avoids the computation of many-body wave functions. In most

Mukamel, Shaul

383

Existence and analyticity of many-body scattering amplitudes at low energies

Two-cluster--two-cluster scattering amplitudes for N-body quantum systems are studied. Our attention is restricted to energies below the lowest three-cluster threshold. For potentials falling off like r/sup -1-//sup delta/ it is proved that in this energy range these amplitudes exist, are continuous, and that the asymptotic completeness holds. Moreover, if the potentials fall off exponentially it is proved that these amplitudes can be meromorphically continued in the energy, with square root or logarithmic branch points at the two-cluster thresholds.

Derezin-acute-accentski, J.

1987-05-01

384

NASA Astrophysics Data System (ADS)

A highly accurate aniostropic intermolecular potential for diatomic hydrogen has been developed that is transferable for molecular modeling in heterogeneous systems. The potential surface is designed to be efficacious in modeling mixed sorbates in metal-organic materials that include sorption interactions with charged interfaces and open metal sites. The potential parameters are compatible for mixed simulations but still maintain high accuracy while deriving dispersion parameters from a proven polarizability model. The potential includes essential physical interactions including: short-range repulsions, dispersion, and permanent and induced electrostatics. Many-body polarization is introduced via a point-atomic polarizability model that is also extended to account for many-body van der Waals interactions in a consistent fashion. Permanent electrostatics are incorporated using point partial charges on atomic sites. However, contrary to expectation, the best potentials are obtained by permitting the charges to take on values that do not reproduce the first non-vanishing moment of the electrostatic potential surface, i.e., the quadrupole moment. Potential parameters are fit to match ab initio energies for a representative range of dimer geometries. The resulting potential is shown to be highly effective by comparing to electronic structure calculations for a thermal distribution of trimer geometries, and by reproducing experimental bulk pressure-density isotherms. The surface is shown to be superior to other similarly portable potential choices even in tests on homogeneous systems without strong polarizing fields. The present streamlined approach to developing such potentials allows for a simple adaptation to other molecules amenable to investigation by high-level electronic structure methods.

McLaughlin, Keith; Cioce, Christian R.; Belof, Jonathan L.; Space, Brian

2012-05-01

385

Dielectric Response of Periodic Systems from Quantum Monte Carlo

NASA Astrophysics Data System (ADS)

We introduce a novel approach to study the response of periodic systems to finite homogeneous electric fields using the diffusion Quantum Monte Carlo method. The interaction with the electric field is expressed through a generalized many-body electric-enthalpy functional; a Hermitian local potential is then constructed that determines the evolution towards the ground state. This local potential depends self-consistently on the Berry-phase polarization, and is evolved ``on-the-fly'' in the course of the simulation, with the polarization operator evaluated using forward-walking. To validate this approach we calculated the dielectric susceptibility of simple molecular chains, greatly over-estimated by standard density-functional approaches, and found good agreement with the results obtained with correlated quantum-chemistry calculations.

Umari, Paolo; Willamson, Andrew J.; Marzari, Nicola

2005-03-01

386

Quantum Chaos and Thermodynamics of Self-Bound Mesoscopic Systems

NASA Astrophysics Data System (ADS)

There are different languages for description of excited states in small self-bound systems, like complex nuclei: in terms of thermodynamical concepts (temperature and entropy) or in terms of properties of individual quantum levels at given excitation energy. Are such descriptions complementary, mutually exclusive or equivalent? We give arguments in favor of equivalence of these approaches under an appropriate choice of a ``thermometer.'' Many-body quantum chaos serves as a stirring instrument that mixes close eigenfunctions and introduces a smoothly evolving degree of complexity as a necessary feature of thermal equilibrium. With a consistent choice of the mean field, a quasiparticle thermometer can do the job extending the region of validity of Fermi-liquid theory. The incoherent parts of residual interaction play the role of a heat bath.

Zelevinsky, Vladimir

2006-10-01

387

Fidelity spectrum and phase transitions of quantum systems

Quantum fidelity between two density matrices F({rho}{sub 1},{rho}{sub 2}) is usually defined as the trace of the operator F={radical}({radical}({rho}{sub 1}){rho}{sub 2}{radical}({rho}{sub 1})). We study the logarithmic spectrum of this operator, which we denote by the fidelity spectrum, in the cases of the XX spin chain in a magnetic field, a magnetic impurity inserted in a conventional superconductor, and a bulk superconductor at finite temperature. When the density matrices are equal, {rho}{sub 1}={rho}{sub 2}, the fidelity spectrum reduces to the entanglement spectrum. We find that the fidelity spectrum can be a useful tool in giving a detailed characterization of the different phases of many-body quantum systems.

Sacramento, P. D.; Vieira, V. R. [Departamento de Fisica and CFIF, Instituto Superior Tecnico, TU Lisbon, Avenida Rovisco Pais, P-1049-001 Lisboa (Portugal); Paunkovic, N. [SQIG-Instituto de Telecomunicacoes, IST, TU Lisbon, Avenida Rovisco Pais, P-1049-001 Lisboa (Portugal)

2011-12-15

388

Scheme of thinking quantum systems

NASA Astrophysics Data System (ADS)

A general approach describing quantum decision procedures is developed. The approach can be applied to quantum information processing, quantum computing, creation of artificial quantum intelligence, as well as to analyzing decision processes of human decision makers. Our basic point is to consider an active quantum system possessing its own strategic state. Processing information by such a system is analogous to the cognitive processes associated to decision making by humans. The algebra of probability operators, associated with the possible options available to the decision maker, plays the role of the algebra of observables in quantum theory of measurements. A scheme is advanced for a practical realization of decision procedures by thinking quantum systems. Such thinking quantum systems can be realized by using spin lattices, systems of magnetic molecules, cold atoms trapped in optical lattices, ensembles of quantum dots, or multilevel atomic systems interacting with electromagnetic field.

Yukalov, V. I.; Sornette, D.

2009-11-01

389

NASA Astrophysics Data System (ADS)

In this paper, we introduce a quantum generalization of classical kinetic Ising models (KIM), described by a certain class of quantum many-body master equations. Similarly to KIMs with detailed balance that are equivalent to certain Hamiltonian systems, our models reduce to a set of Hamiltonian systems determining the dynamics of the elements of the many-body density matrix. The ground states of these Hamiltonians are well described by the matrix product, or pair entangled projected states. We discuss critical properties of such Hamiltonians, as well as entanglement properties of their low-energy states.

Augusiak, R.; Cucchietti, F. M.; Haake, F.; Lewenstein, M.

2010-02-01

390

Persistent Homology and Many-Body Atomic Structure for Medium-Range Order in the Glass

Characterization of medium-range order in amorphous materials and its relation to short-range order is discussed. A new topological approach is presented here to extract a hierarchical structure of amorphous materials, which is robust against small perturbations and allows us to distinguish it from periodic or random configurations. The method is called the persistence diagram (PD) and it introduces scales into many-body atomic structures in order to characterize the size and shape. We first illustrate how perfect crystalline and random structures are represented in the PDs. Then, the medium-range order in the amorphous silica is characterized by using the PD. The PD approach reduces the size of the data tremendously to much smaller geometrical summaries and has a huge potential to be applied to broader areas including complex molecular liquid, granular materials, and metallic glasses.

Takenobu Nakamura; Yasuaki Hiraoka; Akihiko Hirata; Emerson G. Escolar; Yasumasa Nishiura

2015-02-26

391

Configuration-interaction many-body-perturbation-theory energy levels of four-valent Si i

NASA Astrophysics Data System (ADS)

The mixed configuration-interaction (CI) many-body-perturbation-theory method is accurate in divalent atoms. In more complex atoms, with the number of valence electrons it becomes progressively more difficult to saturate CI space. Here, a four-valence electron atom, Si i, is considered. It is found that by using a relatively small cavity of 30 a.u. and by choosing carefully configuration space, it is possible to obtain quite accurate agreement between the theory and experiment. After subtraction of systematic shifts of 481 and -426 cm-1 for the lowest even and odd states, respectively, the deviation between theory and experiment becomes at the level of 100 cm-1. This agreement is comparable to that in divalent atoms where the CI saturation has been achieved. It is anticipated that the approach can also give good results for atoms with more valence electrons to be considered in the future.

Savukov, I. M.

2015-02-01

392

A stochastic algorithm is proposed that can compute the basis-set-incompleteness correction to the second-order many-body perturbation (MP2) energy of a polyatomic molecule. It evaluates the sum of two-, three-, and four-electron integrals over an explicit function of electron-electron distances by a Monte Carlo (MC) integration at an operation cost per MC step increasing only quadratically with size. The method can reproduce the corrections to the MP2/cc-pVTZ energies of H{sub 2}O, CH{sub 4}, and C{sub 6}H{sub 6} within a few mE{sub h} after several million MC steps. It circumvents the resolution-of-the-identity approximation to the nonfactorable three-electron integrals usually necessary in the conventional explicitly correlated (R12 or F12) methods.

Willow, Soohaeng Yoo [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States) [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Zhang, Jinmei; Valeev, Edward F., E-mail: evaleev@vt.edu [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061 (United States); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States) [Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, Saitama 332-0012 (Japan)

2014-01-21

393

The ionization potential of aqueous hydroxide computed using many-body perturbation theory

NASA Astrophysics Data System (ADS)

The ionization potentials of electrolyte solutions provide important information about the electronic structure of liquids and solute-solvent interactions. We analyzed the positions of solute and solvent bands of aqueous hydroxide and the influence of the solvent environment on the ionization potential of hydroxide ions. We used the concept of a computational hydrogen electrode to define absolute band positions with respect to vacuum. We found that many-body perturbation theory in the G0 W0 approximation substantially improves the relative and absolute positions of the band edges of solute and solvent with respect to those obtained within Density Functional Theory, using semi-local functionals, yielding results in satisfactory agreement with recent experiments.

Opalka, Daniel; Pham, Tuan Anh; Sprik, Michiel; Galli, Giulia

2014-07-01

394

NASA Astrophysics Data System (ADS)

The electronic structure and optical response of silicane to strain are investigated by employing first-principles calculations based on many-body perturbation theory. The bandgap can be efficiently engineered in a broad range and an indirect to direct bandgap transition is observed under a strain of 2.74%; the semiconducting silicane can even be turned into a metal under a very large strain. The transitions derive from the persistent downward shift of the lowest conduction band at the ?-point upon an increasing strain. The quasi-particle bandgaps of silicane are sizable due to the weak dielectric screening and the low dimension; they are rapidly reduced as strain increases while the exciton bound energy is not that sensitive. Moreover, the optical absorption edge of the strained silicane significantly shifts towards a low photon energy region and falls into the visible light range, which might serve as a promising candidate for optoelectronic devices.

Shu, Huabing; Wang, Shudong; Li, Yunhai; Yip, Joanne; Wang, Jinlan

2014-08-01

395

Second-order many-body perturbation study of ice Ih

Ice Ih is arguably the most important molecular crystal in nature, yet our understanding of its structural and dynamical properties is still incomplete. To explain the origin of two peaks in the hydrogen-bond-stretching region of the inelastic neutron scattering (INS) spectra, the existence of two types of hydrogen bonds with strengths differing by a factor of two was previously hypothesized. We present first-principles calculations based on diagrammatic many-body perturbation theory of the structures and vibrational spectra of ice Ih, which suggest that the observed spectral features arise from the directionality or anisotropy of the hydrogen-bond stretching vibrations rather than their vastly different force constants, disproving the previous hypothesis. Our calculations also reproduce the infrared and Raman spectra, the variation of INS spectra with deuterium concentration, and the anomaly of heat capacities at low temperatures, together rendering our calculations a paradigm for "crystals from first principles" as envisioned by Maddox.

He, Xiao; Sode, Olaseni; Xantheas, Sotiris S.; Hirata, So

2012-11-28

396

Regularizing the molecular potential in electronic structure calculations. II. Many-body methods

NASA Astrophysics Data System (ADS)

In Paper I of this series [F. A. Bischoff, "Regularizing the molecular potential in electronic structure calculations. I. SCF methods," J. Chem. Phys. 141, 184105 (2014)] a regularized molecular Hamilton operator for electronic structure calculations was derived and its properties in SCF calculations were studied. The regularization was achieved using a correlation factor that models the electron-nuclear cusp. In the present study we extend the regularization to correlated methods, in particular the exact solution of the two-electron problem, as well as second-order many body perturbation theory. The nuclear and electronic correlation factors lead to computations with a smaller memory footprint because the singularities are removed from the working equations, which allows coarser grid resolution while maintaining the precision. Numerical examples are given.

Bischoff, Florian A.

2014-11-01

397

Regularizing the molecular potential in electronic structure calculations. II. Many-body methods.

In Paper I of this series [F. A. Bischoff, "Regularizing the molecular potential in electronic structure calculations. I. SCF methods," J. Chem. Phys. 141, 184105 (2014)] a regularized molecular Hamilton operator for electronic structure calculations was derived and its properties in SCF calculations were studied. The regularization was achieved using a correlation factor that models the electron-nuclear cusp. In the present study we extend the regularization to correlated methods, in particular the exact solution of the two-electron problem, as well as second-order many body perturbation theory. The nuclear and electronic correlation factors lead to computations with a smaller memory footprint because the singularities are removed from the working equations, which allows coarser grid resolution while maintaining the precision. Numerical examples are given. PMID:25399131

Bischoff, Florian A

2014-11-14

398

Strong-Field Many-Body Physics and the Giant Enhancement in the High-Harmonic Spectrum of Xenon

We resolve an open question about the origin of the giant enhancement in the high-harmonic generation (HHG) spectrum of atomic xenon around 100 eV. By solving the many-body time-dependent Schr\\"odinger equation with all orbitals in the 4d, 5s, and 5p shells active, we demonstrate the enhancement results truly from collective many-body excitation induced by the returning photoelectron via two-body interchannel interactions. Without the many-body interactions, which promote a 4d electron into the 5p vacancy created by strong-field ionization, no collective excitation and no enhancement in the HHG spectrum exist.

Pabst, Stefan

2013-01-01

399

Many-body electron-electron interaction effects are theoretically considered in monolayer graphene from a continuum effective field-theoretic perspective by going beyond the standard leading-order perturbative renormalization group (RG) analysis. Given that the bare fine structure constant in graphene is of order unity, which is neither small to justify a perturbative expansion nor large enough for strong-coupling theories to be applicable, the problem is a difficult one, with some similarity to 2+1-dimensional strong-coupling quantum electrodynamics (QED). In this work, we take a systematic and comprehensive analytical approach, working primarily at the Dirac point (intrinsic graphene), by going up to three loops in the diagrammatic expansion to both ascertain the validity of perturbation theory and to estimate quantitatively higher-order renormalization effects. While no direct signatures for non-Fermi liquid behavior at the Dirac point have yet been observed experimentally, there is ample evidence for the interaction-induced renormalization of the graphene velocity as the carrier density approaches zero. We provide a critical comparison between theory and experiment, using both bare- and screened-interaction (RPA) calculations. We find that while the one-loop RG analysis gives reasonable agreement with the experimental data, especially when screening and finite-density effects are included through the RPA, the two-loop analysis reveals a strong-coupling critical point in suspended graphene, signifying either a quantum phase transition or a breakdown of the weak-coupling RG approach. We show that the latter is more likely by adapting Dyson's argument for the breakdown of perturbative QED to the case of graphene. We propose future experiments and theoretical directions to make further progress on this important and difficult problem.

Edwin Barnes; E. H. Hwang; R. E. Throckmorton; S. Das Sarma

2014-06-30

400

Many-body theory of the neutralization of strontium ions on gold surfaces

NASA Astrophysics Data System (ADS)

Motivated by experimental evidence for mixed-valence correlations affecting the neutralization of strontium ions on gold surfaces, we set up an Anderson-Newns model for the Sr:Au system and calculate the neutralization probability ? as a function of temperature. We employ quantum-kinetic equations for the projectile Green functions in the finite -U noncrossing approximation. Our results for ? agree reasonably well with the experimental data as far as the overall order of magnitude is concerned, showing in particular the correlation-induced enhancement of ? . The experimentally found nonmonotonous temperature dependence, however, could not be reproduced. Instead of an initially increasing and then decreasing ? , we find over the whole temperature range only a weak negative temperature dependence. It arises, however, clearly from a mixed-valence resonance in the projectile's spectral density and thus supports qualitatively the interpretation of the experimental data in terms of a mixed-valence scenario.

Pamperin, M.; Bronold, F. X.; Fehske, H.

2015-01-01

401

Structure of typical states of a disordered Richardson model and many-body localization

NASA Astrophysics Data System (ADS)

We present a thorough numerical study of the Richardson model with quenched disorder (a fully connected XX model with longitudinal random fields). We find that for any value of the interaction the eigenstates occupy an exponential number of sites on the unperturbed Fock space but that single-spin observables do not thermalize, as tested by a microcanonical version of the Edwards-Anderson order parameter. We therefore do not observe many-body localization in this model. We find a relation between the inverse participation ratio and the average Hamming distance between spin configurations covered by a typical eigenstate for which we hypothesize a remarkably simple form for the thermodynamic limit. We also studied the random process defined by the spread of a typical eigenstate on configuration space, highlighting several similarities with hopping on percolated hypercube, a process used to mimic the slow relaxation of spin glasses. A nearby nonintegrable model is also considered where delocalization is instead observed, although the presence of a phase transition at infinite temperature is questionable.

Buccheri, F.; de Luca, A.; Scardicchio, A.

2011-09-01

402

Thermal conductivity and energetic recoils in UO2 using a many-body potential model

NASA Astrophysics Data System (ADS)

Classical molecular dynamics simulations have been performed on uranium dioxide (UO2) employing a recently developed many-body potential model. Thermal conductivities are computed for a defect free UO2 lattice and a radiation-damaged, defect containing lattice at 300 K, 1000 K and 1500 K. Defects significantly degrade the thermal conductivity of UO2 as does the presence of amorphous UO2, which has a largely temperature independent thermal conductivity of ˜1.4 Wm?1 K?1. The model yields a pre-melting superionic transition temperature at 2600 K, very close to the experimental value and the mechanical melting temperature of 3600 K, slightly lower than those generated with other empirical potentials. The average threshold displacement energy was calculated to be 37 eV. Although the spatial extent of a 1 keV U cascade is very similar to those generated with other empirical potentials and the number of Frenkel pairs generated is close to that from the Basak potential, the vacancy and interstitial cluster distribution is different.

Qin, M. J.; Cooper, M. W. D.; Kuo, E. Y.; Rushton, M. J. D.; Grimes, R. W.; Lumpkin, G. R.; Middleburgh, S. C.

2014-12-01

403

Many-body iterative T-matrix method for large aspect ratio particles

NASA Astrophysics Data System (ADS)

For a particle with rotational symmetry, the T-matrix is a powerful method for calculating the scattering properties. However, as the aspect ratio of the particle (defined as the ratio of the length of the rotational axis to the maximum dimension perpendicular to the rotational axis) deviates further from unity, the conventional T-matrix method becomes less efficient. Furthermore, when the aspect ratio is significantly large, the T-matrix algorithm diverges due to limited digital precision in numerical simulation. In this study, a many-body iterative T-matrix method (MIBT) is employed to calculate the scattering properties of a prolate particle (i.e., a particle with an aspect ratio larger than unity). The particle is divided into a number of sub-particles for which the scattering properties can be solved with the T-matrix method. The scattering properties of the original particle are acquired by adding the contributions of the artificially divided sub-particles and their interactions. Furthermore, the MBIT method is applicable to prolate particles with the sub-particles having the same or different refractive indices.

Sun, Bingqiang; Yang, Ping; Kattawar, George W.

2013-09-01

404

Second-order many-body perturbation study of ice Ih

NASA Astrophysics Data System (ADS)

Ice Ih is arguably the most important molecular crystal in nature, yet our understanding of its structural and dynamical properties is still far from complete. We present embedded-fragment calculations of the structures and vibrational spectra of the three-dimensional, proton-disordered phase of ice Ih performed at the level of second-order many-body perturbation theory with a basis-set superposition error correction. Our calculations address previous controversies such as the one related to the O-H bond length as well as the existence of two types of hydrogen bonds with strengths differing by a factor of two. For the latter, our calculations suggest that the observed spectral features arise from the directionality or the anisotropy of collective hydrogen-bond stretching vibrations rather than the previously suggested vastly different force constants. We also report a capability to efficiently compute infrared and Raman intensities of a periodic solid. Our approach reproduces the infrared and Raman spectra, the variation of inelastic neutron scattering spectra with deuterium concentration, and the anomaly of heat capacities at low temperatures for ice Ih.

He, Xiao; Sode, Olaseni; Xantheas, Sotiris S.; Hirata, So

2012-11-01

405

Locally preferred structures and many-body static correlations in viscous liquids

NASA Astrophysics Data System (ADS)

The influence of static correlations beyond the pair level on the dynamics of selected model glass formers is investigated. The pair structure, angular distribution functions, and statistics of Voronoi polyhedra of two well-known Lennard-Jones mixtures as well as of the corresponding Weeks-Chandler-Andersen variants, in which the attractive part of the potential is truncated, are compared. By means of the Voronoi construction, the atomic arrangements corresponding to the locally preferred structures of the models are identified. It is found that the growth of domains formed by interconnected locally preferred structures signals the onset of the slow-dynamics regime and allows the rationalization of the different dynamic behaviors of the models. At low temperature, the spatial extension of the structurally correlated domains, evaluated at fixed relaxation time, increases with the fragility of the models and is systematically reduced by truncating the attractions. In view of these results, proper inclusion of many-body static correlations in theories of the glass transition appears crucial for the description of the dynamics of fragile glass formers.

Coslovich, Daniele

2011-05-01

406

Many-body dissipative particle dynamics simulation of liquid/vapor and liquid/solid interactions

NASA Astrophysics Data System (ADS)

The combination of short-range repulsive and long-range attractive forces in many-body dissipative particle dynamics (MDPD) is examined at a vapor/liquid and liquid/solid interface. Based on the radial distribution of the virial pressure in a drop at equilibrium, a systematic study is carried out to characterize the sensitivity of the surface tension coefficient with respect to the inter-particle interaction parameters. For the first time, the approximately cubic dependence of the surface tension coefficient on the bulk density of the fluid is evidenced. In capillary flow, MDPD solutions are shown to satisfy the condition on the wavelength of an axial disturbance leading to the pinch-off of a cylindrical liquid thread; correctly, no pinch-off occurs below the cutoff wavelength. Moreover, in an example that illustrates the cascade of fluid dynamics behaviors from potential to inertial-viscous to stochastic flow, the dynamics of the jet radius is consistent with the power law predictions of asymptotic analysis. To model interaction with a solid wall, MDPD is augmented by a set of bell-shaped weight functions; hydrophilic and hydrophobic behaviors, including the occurrence of slip in the latter, are reproduced using a modification in the weight function that avoids particle clustering. The dynamics of droplets entering an inverted Y-shaped fracture junction is shown to be correctly captured in simulations parametrized by the Bond number, confirming the flexibility of MDPD in modeling interface-dominated flows.

Arienti, Marco; Pan, Wenxiao; Li, Xiaoyi; Karniadakis, George

2011-05-01

407

Molecular-dynamics simulations utilizing a many-body potential was used to study the pressure dependence of structural and dynamical properties for liquid methanol. The liquid density as a function of pressure agreed well with experiment, and a combination of radial and angular distribution functions were used to analyze molecular structure. From these distribution functions, it was observed that hydrogen bond strength increased with increasing pressure. This observation coincided with an increase in the molecular dipole as a function of pressure, having a significant effect on the observed increased hydrogen bond strength. Also, methanols were found to more strongly favor exactly two hydrogen bonds, with fewer methanols of zero, one, or three hydrogen bonds present at higher pressures. Furthermore, a majority of the compression with increased pressure was found to occur in regions perpendicular to the methanol hydrogen-oxygen bond vector. This was the case despite hydrogen-oxygen nonbonded distances between hydrogen bonding species being shorter, but their stiffer oxygen-hydrogen-(nonbonded) oxygen angle offsets this, resulting in their oxygen-oxygen distances being relatively unaffected. The methanol translational diffusion decreased significantly with increased pressure, while the rotational diffusion decreased at a similar magnitude around the oxygen-hydrogen and oxygen-carbon bond vectors, despite having very different overall diffusion. Finally, the hydrogen bond lifetime increased significantly with pressure, owing to the increased hydrogen bond strength, and the slower translational and rotational dynamics. PMID:16292910

Wick, Collin D; Dang, Liem X

2005-11-01

408

Thermal conductivity and energetic recoils in UO2 using a many-body potential model.

Classical molecular dynamics simulations have been performed on uranium dioxide (UO2) employing a recently developed many-body potential model. Thermal conductivities are computed for a defect free UO2 lattice and a radiation-damaged, defect containing lattice at 300 K, 1000 K and 1500 K. Defects significantly degrade the thermal conductivity of UO2 as does the presence of amorphous UO2, which has a largely temperature independent thermal conductivity of ?1.4 Wm(-1) K(-1). The model yields a pre-melting superionic transition temperature at 2600 K, very close to the experimental value and the mechanical melting temperature of 3600 K, slightly lower than those generated with other empirical potentials. The average threshold displacement energy was calculated to be 37 eV. Although the spatial extent of a 1 keV U cascade is very similar to those generated with other empirical potentials and the number of Frenkel pairs generated is close to that from the Basak potential, the vacancy and interstitial cluster distribution is different. PMID:25398161

Qin, M J; Cooper, M W D; Kuo, E Y; Rushton, M J D; Grimes, R W; Lumpkin, G R; Middleburgh, S C

2014-12-10

409

Many-body effects in semiconducting single-wall silicon nanotubes

Summary The electronic and optical properties of semiconducting silicon nanotubes (SiNTs) are studied by means of the many-body Green’s function method, i.e., GW approximation and Bethe–Salpeter equation. In these studied structures, i.e., (4,4), (6,6) and (10,0) SiNTs, self-energy effects are enhanced giving rise to large quasi-particle (QP) band gaps due to the confinement effect. The strong electron?electron (e?e) correlations broaden the band gaps of the studied SiNTs from 0.65, 0.28 and 0.05 eV at DFT level to 1.9, 1.22 and 0.79 eV at GW level. The Coulomb electron?hole (e?h) interactions significantly modify optical absorption properties obtained at noninteracting-particle level with the formation of bound excitons with considerable binding energies (of the order of 1 eV) assigned: the binding energies of the armchair (4,4), (6,6) and zigzag (10,0) SiNTs are 0.92, 1.1 and 0.6 eV, respectively. Results in this work are useful for understanding the physics and applications in silicon-based nanoscale device components. PMID:24455458

Wei, Wei

2014-01-01

410

Multiparticle-multihole configuration mixing description of nuclear many-body systems

In this work we discuss the multiparticle-multihole configuration mixing method which aims to describe the structure of atomic nuclei. Based on a variational principle it is able to treat in a unified way all types of long-range correlations between nucleons, without introducing symmetry breaking. The formalism is presented along with some preliminary results obtained for a few sd-shell nuclei. In the presented applications, the D1S Gogny force has been used.

Robin, C.; Pillet, N.; Le Bloas, J.; Berger, J.-F. [CEA/DAM/DIF, F-91297 Arpajon (France); Zelevinsky, V. G. [Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824 (United States)

2014-10-15

411

Up-down quark mass difference effect in nuclear many-body systems

A charge-symmetry-breaking nucleon-nucleon force due to the up-down quark mass difference is evaluated in the quark cluster model. It is applied to the shell-model calculation for the isovector mass shifts of isospin multiplets in 1{ital s}0{ital d}-shell nuclei. We find that the contribution of the quark mass difference effect explains the systematic behavior of experiment. This contribution is large and may explain the Okamoto-Nolen-Schiffer anomaly, alternatively to the meson-mixing contribution, which is recently predicted to be reduced by the large off-shell correction. {copyright} {ital 1996 The American Physical Society.}

Nakamura, S.; Muto, K.; Oka, M.; Takeuchi, S.; Oda, T. [Institute for Nuclear Study, University of Tokyo, Tokyo 188 (Japan)] [Institute for Nuclear Study, University of Tokyo, Tokyo 188 (Japan); [Department of Physics, Tokyo Institute of Technology, Tokyo 152 (Japan); [Department of Public Health and Environmental Science, Tokyo Medical and Dental University, Tokyo 113 (Japan)

1996-02-01

412

Landau-Zener transitions in noisy environment and many-body systems

then propose the Global Spin Model Hamiltonian, whose ground state we solve exactly, which yields the static limit properties of the BEC-BCS crossover. We also study the dynamics of the Global Spin Model by converting it to a LZ problem. The resulting molecular...

Sun, Deqiang

2010-01-16

413

The isospin dependence of the nuclear force and its impact on the many-body system

NASA Astrophysics Data System (ADS)

A major goal of contemporary nuclear physics is to improve our knowledge of the nuclear matter equation of state. In particular, the equation of state of isospin- asymmetric matter (that is, with unequal concentrations of protons and neutrons), is not well understood, mostly due to our limited knowledge of the symmetry energy. The latter reduces the binding energy in a nucleus with unequal number of protons and neutrons, and is crucial for understanding nuclear stability. We review experimental, phenomenological, and theoretical facts about the symmetry energy. We emphasize the importance of adopting a microscopic approach towards a better understanding of this important quantity.

Sammarruca, F.; White, L.; Chen, B.

2015-02-01

414

Double decimation and sliding vacua in the nuclear many-body system

We propose that effective field theories for nuclei and nuclear matter comprise of “double decimation”: (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown–Rho scaling recently identified as the parametric dependence intrinsic in the “vector manifestation” of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down

G. E. Brown; Mannque Rho

2004-01-01

415

NASA Astrophysics Data System (ADS)

Molecular dynamics (MD) is an important research tool extensively applied in materials science. Running MD on a graphics processing unit (GPU) is an attractive new approach for accelerating MD simulations. Currently, GPU implementations of MD usually run in a one-host-process-one-GPU (OHPOG) scheme. This scheme may pose a limitation on the system size that an implementation can handle due to the small device memory relative to the host memory. In this paper, we present a one-host-process-multiple-GPU (OHPMG) implementation of MD with embedded-atom-model or semi-empirical tight-binding many-body potentials. Because more device memory is available in an OHPMG process, the system size that can be handled is increased to a few million or more atoms. In comparison with the serial CPU implementation, in which Newton's third law is applied to improve the computational efficiency, our OHPMG implementation has achieved a 28.9x-86.0x speedup in double precision, depending on the system size, the cut-off ranges and the number of GPUs. The implementation can also handle a group of small simulation boxes in one run by combining the small boxes into a large box. This approach greatly improves the GPU computing efficiency when a large number of MD simulations for small boxes are needed for statistical purposes.

Hou, Qing; Li, Min; Zhou, Yulu; Cui, Jiechao; Cui, Zhenguo; Wang, Jun

2013-09-01

416

Quantum Computing via The Bethe Ansatz

We recognize quantum circuit model of computation as factorisable scattering model and propose that a quantum computer is associated with a quantum many-body system solved by the Bethe ansatz. As an typical example to support our perspectives on quantum computation, we study quantum computing in one-dimensional nonrelativistic system with delta-function interaction, where the two-body scattering matrix satisfies the factorisation equation (the quantum Yang--Baxter equation) and acts as a parametric two-body quantum gate. We conclude by comparing quantum computing via the factorisable scattering with topological quantum computing.

Yong Zhang

2011-06-20

417

Magnetic impurities in nanotubes: From density functional theory to Kondo many-body effects

NASA Astrophysics Data System (ADS)

Low-temperature electronic conductance in nanocontacts, scanning tunneling microscopy (STM), and metal break junctions involving magnetic atoms or molecules is a growing area with important unsolved theoretical problems. While the detailed relationship between contact geometry and electronic structure requires a quantitative ab initio approach such as density functional theory (DFT), the Kondo many-body effects ensuing from the coupling of the impurity spin with metal electrons are most properly addressed by formulating a generalized Anderson impurity model to be solved with, for example, the numerical renormalization group (NRG) method. Since there is at present no seamless scheme that can accurately carry out that program, we have in recent years designed a systematic method for semiquantitatively joining DFT and NRG. We apply this DFT-NRG scheme to the ideal conductance of single wall (4,4) and (8,8) nanotubes with magnetic adatoms (Co and Fe), both inside and outside the nanotube, and with a single carbon atom vacancy. A rich scenario emerges, with Kondo temperatures generally in the Kelvin range, and conductance anomalies ranging from a single channel maximum to destructive Fano interference with cancellation of two channels out of the total four. The configuration yielding the highest Kondo temperature (tens of Kelvins) and a measurable zero-bias anomaly is that of a Co or Fe impurity inside the narrowest nanotube. The single atom vacancy has a spin, but a very low Kondo temperature is predicted. The geometric, electronic, and symmetry factors influencing this variability are all accessible, which makes this approach methodologically instructive and highlights many delicate and difficult points in the first-principles modeling of the Kondo effect in nanocontacts.

Baruselli, P. P.; Fabrizio, M.; Smogunov, A.; Requist, R.; Tosatti, E.

2013-12-01

418

Spread of Correlations in Long-Range Interacting Quantum Systems

NASA Astrophysics Data System (ADS)

The nonequilibrium response of a quantum many-body system defines its fundamental transport properties and how initially localized quantum information spreads. However, for long-range-interacting quantum systems little is known. We address this issue by analyzing a local quantum quench in the long-range Ising model in a transverse field, where interactions decay as a variable power law with distance ?r-?, ?>0. Using complementary numerical and analytical techniques, we identify three dynamical regimes: short-range-like with an emerging light cone for ?>2, weakly long range for 1

Hauke, P.; Tagliacozzo, L.

2013-11-01

419

We study within the many-body Green's function GW and Bethe-Salpeter formalisms the excitation energies of a paradigmatic model dipeptide, focusing on the four lowest-lying local and charge-transfer excitations. Our GW calculations are performed at the self-consistent level, updating first the quasiparticle energies, and further the single-particle wavefunctions within the static Coulomb-hole plus screened-exchange approximation to the GW self-energy operator. Important level crossings, as compared to the starting Kohn-Sham LDA spectrum, are identified. Our final Bethe-Salpeter singlet excitation energies are found to agree, within 0.07 eV, with CASPT2 reference data, except for one charge-transfer state where the discrepancy can be as large as 0.5 eV. Our results agree best with LC-BLYP and CAM-B3LYP calculations with enhanced long-range exchange, with a 0.1 eV mean absolute error. This has been achieved employing a parameter-free formalism applicable to metallic or insulating extended or finite systems. PMID:24320327

Faber, C; Boulanger, P; Duchemin, I; Attaccalite, C; Blase, X

2013-11-21

420

We analyze the electronic and optical excitations in silver clusters Agn, n=1 8 using density-functional and many-body theories within an ab initio pseudopotential framework. Vertical ionization potentials and electron affinities are calculated within the so-called SCF and GW approximations. Results are compared with experimental data. For molecular orbitals of predominantly sp character, the GW results are found to be in good agreement with experiment. For orbitals of mainly d character, good agreement with experiment can be achieved only via the use of semicore pseudopotentials, due to strong correlations among 4s, 4p, and 4d electrons. Optical excitations are computed within the time-dependent local-density approximation TDLDA and by solving the Bethe-Salpeter equation BSE for electrons and holes. For most clusters, the TDLDA spectra are in reasonable agreement with experimental data. The optical excitations computed with the BSE method, on the other hand, are generally in poor agreement with experiment, especially as size increases. This finding is explained in terms of the nonlocality of the BSE kernel and correlations involving 4d electrons. We also discuss the roles played by self-consistency, vertex corrections, and satellite structures in the GW results of these confined systems with d valence electrons.

Tiago, Murilo L [ORNL; Idrobo Tapia, Juan C [ORNL; Ogut, Serdar [University of Illinois, Chicago; Jellinek, Julius [Argonne National Laboratory (ANL); Chelikowsky, James [University of Texas, Austin

2009-01-01

421

Quantum field theory of interacting plasmon–photon system

NASA Astrophysics Data System (ADS)

In the framework of functional integral approach, quantum theory of interacting plasmon–photon system was constructed on the basis of general postulates (axioms) called also first principles of electrodynamics and quantum theory of many-body systems. Since plasmons are complex quasiparticles appearing as the resonances in plasma oscillations of the electron gas in solids, we start from the general expression of total action functional of interacting system consisting of electron gas and electromagnetic field. The collective oscillations of electron gas are characterized by a real scalar field ?(x) called the collective oscillation field. In the harmonic approximation the collective oscillations behave like the small fluctuations around a background field ?0(x). The difference between ?(x) and ?0(x) is called the fluctuation field ?(x). In the case of a homogeneous and isotropic electron gas the fluctuation field ?(x) is a linear functional of another real scalar field ?(x) satisfying the wave equation similar to the Klein–Gordon equation in relativistic quantum field theory. The quanta of corresponding Hermitian scalar field \\hat{? }(x) are called plasmons. The real scalar field ?(x) is called plasmonic field. The total action functional of the interacting system of plasmonic and electromagnetic field was derived.

Hieu Nguyen, Van; Nguyen, Bich Ha

2015-01-01

422

Control of open quantum systems

This thesis describes the development, investigation and experimental implementation via liquid state nuclear magnetic resonance techniques of new methods for controlling open quantum systems. First, methods that improve ...

Boulant, Nicolas

2005-01-01

423

Frustration in quantum many body systems is quantified by the degree of incompatibility between the local and global orders associated, respectively, to the ground states of the local interaction terms and the global ground state of the total many-body Hamiltonian. This universal measure is bounded from below by the ground-state bipartite block entanglement. For many-body Hamiltonians that are sums of two-body interaction terms, a further inequality relates quantum frustration to the pairwise entanglement between the constituents of the local interaction terms. This additional bound is a consequence of the limits imposed by monogamy on entanglement shareability. We investigate the behavior of local pair frustration in quantum spin models with competing interactions on different length scales and show that valence bond solids associated to exact ground-state dimerization correspond to a transition from generic frustration, i.e. geometric, common to classical and quantum systems alike, to genuine quantum frustration, i.e. solely due to the non-commutativity of the different local interaction terms. We discuss how such frustration transitions separating genuinely quantum orders from classical-like ones are detected by observable quantities such as the static structure factor and the interferometric visibility.

S. M. Giampaolo; B. C. Hiesmayr; F. Illuminati

2015-01-25

424

An AB Initio Relativistic Many-Body Calculation of Mercury 6

NASA Astrophysics Data System (ADS)

In this work, the energy levels and widths of mercury 6p^2 resonance states are investigated, completing the second branch of our whole ab initio relativistic many-body calculation procedure. ^1 Relativistic zeroth-order wavefunctions are obtained by solving the multi-configurational Dirac -Fock (MCDF) equations.^2 The Breit effects are included. Relativistic configuration interaction (RCI) calculations are then carried out for the localized portion of the wavefunction^3 for which we included single and double excitations to account for both valence-shell correlations and the most important parts of the core-valence correlations, 5d-valence correlations. A total of 4 sets of virtual basis functions are used in the RCI calculations. Two virtual sets are used for valence shell correlations, both from vs_{1/2 } to vg_{9/2}. Another two sets are used for core-valence correlations, each ranging from vs_{1/2} to vf _{7/2}. To evaluate the continuum effects, relativistic continuum wavefunctions are calculated by using Perger's program^4 in the presence of a frozen core generated from Grant's program. ^5 Wavefunctions of the open channel discrete states are generated using Desclaux's program. ^2 The interactions between the resonances and the open channels are then calculated by using the method of the configuration interaction in continuum (CIC), ^6 for which a program, PVINT, ^7 is implemented to give both energy shifts and widths for the resonance states caused by the open channels. References. (1) D. R. Beck and Z. Cai, Phys. Rev. A 41, 301 (1990). (2) J. P. Desclaux, Comput. Phys. Commun 9, 31 (1975). (3) D. R. Beck, Program RELCOR, 1987, unpublished. (4) W. F. Perger and V. S. Karighattam, Program to generate continua and R^{k } integrals, 1990, Submitted to Comp. Phys. Commun. (5) I. P. Grant, B. J. McKenzie, P. H. Norrington, D. F. Mayers and N. C. Pyper, Comput. Phys. Commun. 21, 207 (1980). (6) U. Fano, Phys. Rev. 124, 1866 (1961). (7) Z. Cai, Program PVINT, 1990, unpublished.

Cai, Ziyong

1990-01-01

425

Band alignment of semiconductors from density-functional theory and many-body perturbation theory

NASA Astrophysics Data System (ADS)

The band lineup, or alignment, of semiconductors is investigated via first-principles calculations based on density functional theory (DFT) and many-body perturbation theory (MBPT). Twenty-one semiconductors including C, Si, and Ge in the diamond structure, BN, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende structure, and GaN and ZnO in the wurtzite structure are considered in view of their fundamental and technological importance. Band alignments are determined using the valence and conduction band offsets from heterointerface calculations, the ionization potential (IP) and electron affinity (EA) from surface calculations, and the valence band maximum and conduction band minimum relative to the branch point energy, or charge neutrality level, from bulk calculations. The performance of various approximations to DFT and MBPT, namely the Perdew-Burke-Ernzerhof (PBE) semilocal functional, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, and the GW approximation with and without vertex corrections in the screened Coulomb interaction, is assessed using the GW?1 approximation as a reference, where first-order vertex corrections are included in the self-energy. The experimental IPs, EAs, and band offsets are well reproduced by GW?1 for most of the semiconductor surfaces and heterointerfaces considered in this study. The PBE and HSE functionals show sizable errors in the IPs and EAs, in particular for group II-VI semiconductors with wide band gaps, but are much better in the prediction of relative band positions or band offsets due to error cancellation. The performance of the GW approximation is almost on par with GW?1 as far as relative band positions are concerned. The band alignments based on average interfacial band offsets for all pairs of 17 semiconductors and branch point energies agree with explicitly calculated interfacial band offsets with small mean absolute errors of both ˜0.1eV, indicating a good overall transitivity of the band offsets. The alignment based on IPs from selected nonpolar surfaces performs comparably well in the prediction of band offsets at most of the considered interfaces. The maximum errors are, however, as large as 0.3, 0.4, and 0.7 eV for the alignments based on the average band offsets, branch point energies, and IPs, respectively. This margin of error should be taken into account when performing materials screening using these alignments.

Hinuma, Yoyo; Grüneis, Andreas; Kresse, Georg; Oba, Fumiyasu

2014-10-01

426

Energy density matrix formalism for interacting quantum systems: Quantum Monte Carlo study

NASA Astrophysics Data System (ADS)

We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix yields the energy density and orbital occupation energies. The eigenvectors of the matrix provide a natural orbital partitioning of the energy density while the eigenvalues comprise a single-particle energy spectrum obeying a total energy sum rule. For mean-field systems the energy density matrix recovers the exact spectrum. When correlation becomes important, the occupation energies resemble quasiparticle energies in some respects. We explore the occupation energy spectrum for the finite 3D homogeneous electron gas in the metallic regime and an isolated oxygen atom with ground-state quantum Monte Carlo techniques implemented in the qmcpack simulation code. The occupation energy spectrum for the homogeneous electron gas can be described by an effective mass below the Fermi level. Above the Fermi level evanescent behavior in the occupation energies is observed in similar fashion to the occupation numbers of the 1RDM. A direct comparison with total energy differences shows a quantitative connection between the occupation energies and electron addition and removal energies for the electron gas. For the oxygen atom, the association between the ground-state occupation energies and particle addition and removal energies becomes only qualitative. The energy density matrix provides an avenue for describing energetics with quantum Monte Carlo methods which have traditionally been limited to total energies.

Krogel, Jaron T.; Kim, Jeongnim; Reboredo, Fernando A.

2014-07-01

427

Energy density matrix formalism for interacting quantum systems: a quantum Monte Carlo study

We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix yields the energy density and orbital occupation energies. The eigenvectors of the matrix provide a natural orbital partitioning of the energy density while the eigenvalues comprise a single particle energy spectrum obeying a total energy sum rule. For mean-field systems the energy density matrix recovers the exact spectrum. When correlation becomes important, the occupation energies resemble quasiparticle energies in some respects. We explore the occupation energy spectrum for the finite 3D homogeneous electron gas in the metallic regime and an isolated oxygen atom with ground state quantum Monte Carlo techniques imple- mented in the QMCPACK simulation code. The occupation energy spectrum for the homogeneous electron gas can be described by an effective mass below the Fermi level. Above the Fermi level evanescent behavior in the occupation energies is observed in similar fashion to the occupation numbers of the 1RDM. A direct comparison with total energ