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1

Emergent Thermodynamics in a Quenched Quantum Many-Body System

NASA Astrophysics Data System (ADS)

We study the statistics of the work done, fluctuation relations, and irreversible entropy production in a quantum many-body system subject to the sudden quench of a control parameter. By treating the quench as a thermodynamic transformation we show that the emergence of irreversibility in the nonequilibrium dynamics of closed many-body quantum systems can be accurately characterized. We demonstrate our ideas by considering a transverse quantum Ising model that is taken out of equilibrium by an instantaneous change of the transverse field.

Dorner, R.; Goold, J.; Cormick, C.; Paternostro, M.; Vedral, V.

2012-10-01

2

Experimental Quantum Simulation of Entanglement in Many-body Systems

We employ a nuclear magnetic resonance (NMR) quantum information processor to simulate the ground state of an XXZ spin chain and measure its NMR analog of entanglement, or pseudo-entanglement. The observed pseudo-entanglement for a small-size system already displays singularity, a signature which is qualitatively similar to that in the thermodynamical limit across quantum phase transitions, including an infinite-order critical point. The experimental results illustrate a successful approach to investigate quantum correlations in many-body systems using quantum simulators.

Jingfu Zhang; Tzu-Chieh Wei; Raymond Laflamme

2011-07-25

3

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

4

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

5

Frustration, entanglement, and correlations in quantum many-body systems

NASA Astrophysics Data System (ADS)

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.

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

2013-08-01

6

Unifying Variational Methods for Simulating Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

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.; Eisert, J.; Osborne, T. J.

2008-04-01

7

Quantum Control of Many-Body Systems by the Density

In this work we focus on a recently introduced method [1] to construct the external potential $v$ that, for a given initial state, produces a prescribed time-dependent density in an interacting quantum many-body system. We show how this method can also be used to perform flexible and efficient quantum control. The simple interpretation of the density (the amount of electrons per volume) allows us to use our physical intuition to consider interesting control problems and to easily restrict the search space in optimization problems. The method's origin in time-dependent density-functional theory makes studies of large systems possible. We further discuss the generalization of the method to higher dimensions and its numerical implementation in great detail. We also present several examples to illustrate the flexibility, and to confirm that the scheme is efficient and stable even for large and rapid density variations irrespective of the initial state and interactions.

S. E. B. Nielsen; M. Ruggenthaler; R. van Leeuwen

2014-12-11

8

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

9

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

10

CHAOS IN MANY BODY QUANTUM SYSTEMS CARLO PRESILLA, GIOVANNI J ONA-LASINIO

:idinger #12;4 Figure 1: Energy diagram of a three-well two-barrier heterostructure. The barriers b1 and b2CHAOS IN MANY BODY QUANTUM SYSTEMS CARLO PRESILLA, GIOVANNI J ONA-LASINIO Dipartimento di Fisica&T Bell Laboratories 600 Mou11tain A venue, Murray Hill, 07974 New J ersey Abstract A many body quantum

Presilla, Carlo

11

Localization and Glassy Dynamics Of Many-Body Quantum Systems

When classical systems fail to explore their entire configurational space, intriguing macroscopic phenomena like aging and glass formation may emerge. Also closed quanto-mechanical systems may stop wandering freely around the whole Hilbert space, even if they are initially prepared into a macroscopically large combination of eigenstates. Here, we report numerical evidences that the dynamics of strongly interacting lattice bosons driven sufficiently far from equilibrium can be trapped into extremely long-lived inhomogeneous metastable states. The slowing down of incoherent density excitations above a threshold energy, much reminiscent of a dynamical arrest on the verge of a glass transition, is identified as the key feature of this phenomenon. We argue that the resulting long-lived inhomogeneities are responsible for the lack of thermalization observed in large systems. Such a rich phenomenology could be experimentally uncovered upon probing the out-of-equilibrium dynamics of conveniently prepared quantum states of trapped cold atoms which we hereby suggest. PMID:22355756

Carleo, Giuseppe; Becca, Federico; Schiró, Marco; Fabrizio, Michele

2012-01-01

12

COVER IMAGE How quantum many-body systems

Graphene spintronics Non-magnetic spin measurement Letter p313 Quantum phononics A ripple of excitement HIGHLIGHTS 252 Our choice from the recent literature NEWS & VIEWS 253 Superfluid helium: Order in disorder established for spin-Â½ particles. Now an elegant demonstration of squeezing in spin-1 condensates generalizes

Loss, Daniel

13

Effective Lagrangians for quantum many-body systems

The low-energy and low-momentum dynamics of systems with a spontaneously broken continuous symmetry is dominated by the ensuing Nambu-Goldstone bosons. It can be conveniently encoded in a model-independent effective field theory whose structure is fixed by symmetry up to a set of effective coupling constants. We construct the most general effective Lagrangian for the Nambu-Goldstone bosons of spontaneously broken global internal symmetry up to the fourth order in derivatives. Rotational invariance and spatial dimensionality of one, two or three are assumed in order to obtain compact explicit expressions, but our method is completely general and can be applied without modifications to condensed matter systems with a discrete space group as well as to higher-dimensional theories. The general low-energy effective Lagrangian for relativistic systems follows as a special case. We also discuss the effects of explicit symmetry breaking and classify the corresponding terms in the Lagrangian. Diverse examples are worked out in order to make the results accessible to a wide theoretical physics community.

Jens O. Andersen; Tomas Brauner; Christoph P. Hofmann; Aleksi Vuorinen

2014-06-13

14

Effective Lagrangians for quantum many-body systems

NASA Astrophysics Data System (ADS)

The low-energy and low-momentum dynamics of systems with a spontaneously broken continuous symmetry is dominated by the ensuing Nambu-Goldstone bosons. It can be conveniently encoded in a model-independent effective field theory whose structure is fixed by symmetry up to a set of effective coupling constants. We construct the most general effective Lagrangian for the Nambu-Goldstone bosons of spontaneously broken global internal symmetry up to fourth order in derivatives. Rotational invariance and spatial dimensionality of one, two or three are assumed in order to obtain compact explicit expressions, but our method is completely general and can be applied without modifications to condensed matter systems with a discrete space group as well as to higher-dimensional theories. The general low-energy effective Lagrangian for relativistic systems follows as a special case. We also discuss the effects of explicit symmetry breaking and classify the corresponding terms in the Lagrangian. Diverse examples are worked out in order to make the results accessible to a wide theoretical physics community.

Andersen, Jens O.; Brauner, Tomáš; Hofmann, Christoph P.; Vuorinen, Aleksi

2014-08-01

15

Thermal states of random quantum many-body systems

NASA Astrophysics Data System (ADS)

We study a distribution of thermal states given by random Hamiltonians with a local structure. We show that the ensemble of thermal states monotonically approaches the unitarily invariant ensemble with decreasing temperature if all particles interact according to a single random interaction and achieves a state t -design at temperature O ( 1 /log (t )) . For the system where the random interactions are local, we show that the ensemble achieves a state 1-design. We then provide numerical evidence indicating that the ensemble undergoes a phase transition at finite temperature.

Nakata, Yoshifumi; Osborne, Tobias J.

2014-11-01

16

Simulation of Many-Body Fermi Systems on a Universal Quantum Computer

We provide fast algorithms for simulating many body Fermi systems on a universal quantum computer. Both first and second quantized descriptions are considered, and the relative computational complexities are determined in each case. In order to accommodate fermions using a first quantized Hamiltonian, an efficient quantum algorithm for anti-symmetrization is given. Finally, a simulation of the Hubbard model is discussed in detail.

Daniel S. Abrams; Seth Lloyd

1997-03-28

17

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

18

Variational principle for steady states of dissipative quantum many-body systems

We present a novel generic framework to approximate the non-equilibrium 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. Finally, we identify several advantages of the variational approach over previously employed mean-field-like methods.

Hendrik Weimer

2014-09-29

19

Quantum dynamical phase transition in a system with many-body interactions

Recent experiments, [G.A. Álvarez, E.P. Danieli, P.R. Levstein, H.M. Pastawski, J. Chem. Phys. 124 (2006) 194507], have reported the observation of a quantum dynamical phase transition in the dynamics of a spin swapping gate. In order to explain this result from a microscopic perspective, we introduce a Hamiltonian model of a two level system with many-body interactions with an environment whose excitation

Ernesto P. Danieli; G. A. Álvarez; Patricia R. Levstein; Horacio M. Pastawski

2007-01-01

20

Quantum dynamical phase transition in a system with many-body interactions

Recent experiments, [G.A. Álvarez, E.P. Danieli, P.R. Levstein, H.M. Pastawski, J. Chem. Phys. 124 (2006) 194507], have reported the observation of a quantum dynamical phase transition in the dynamics of a spin swapping gate. In order to explain this result from a microscopic perspective, we introduce a Hamiltonian model of a two level system with many-body interactions with an environment

E. P. Danieli; G. A. Álvarez; P. R. Levstein; H. M. Pastawski

2007-01-01

21

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

22

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

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. PMID:25008526

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

2014-07-10

23

Fluctuations and Stochastic Processes in One-Dimensional Many-Body Quantum Systems

We study the fluctuation properties of a one-dimensional many-body quantum system composed of interacting bosons and investigate the regimes where quantum noise or, respectively, thermal excitations are dominant. For the latter, we develop a semiclassical description of the fluctuation properties based on the Ornstein-Uhlenbeck stochastic process. As an illustration, we analyze the phase correlation functions and the full statistical distributions of the interference between two one-dimensional systems, either independent or tunnel-coupled, and compare with the Luttinger-liquid theory.

Stimming, H.-P.; Mauser, N. J. [Wolfgang Pauli Institute c/o Universitaet Wien, Nordbergstrasse 15, 1090 Vienna (Austria); Schmiedmayer, J. [Atominstitut, TU Wien, Stadionallee 2, 1020 Vienna (Austria); Mazets, I. E. [Wolfgang Pauli Institute c/o Universitaet Wien, Nordbergstrasse 15, 1090 Vienna (Austria); Atominstitut, TU Wien, Stadionallee 2, 1020 Vienna (Austria); Ioffe Physico-Technical Institute, 194021 St. Petersburg (Russian Federation)

2010-07-02

24

Real-Time Path Integral Approach to Nonequilibrium Many-Body Quantum Systems

NASA Astrophysics Data System (ADS)

A real-time path-integral Monte Carlo approach is developed to study the dynamics in a many-body quantum system coupled to a phonon background until reaching a nonequilibrium stationary state. The approach is based on augmenting an exact reduced equation for the evolution of the system in the interaction picture which is amenable to an efficient path integral (worldline) Monte Carlo approach. Results obtained for a model of inelastic tunneling spectroscopy reveal the applicability of the approach to a wide range of physically important regimes, including high (classical) and low (quantum) temperatures, and weak (perturbative) and strong electron-phonon couplings.

Mühlbacher, Lothar; Rabani, Eran

2008-05-01

25

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

NASA Astrophysics Data System (ADS)

Proponents of Complexity Science believe that the huge variety of emergent phenomena observed throughout nature, are generated by relatively few microscopic mechanisms. 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 of Fratini et al. concerning quantum many-body effects in cuprate superconductors (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 (i.e. scale of 103 - 106 meters and 104 - 108 seconds), (iii) shows consistency with various established empirical facts for financial markets, neurons and human gangs and (iv) makes microscopic sense for each application. Our findings also suggest that a potentially productive shift can be made in Complexity research toward the identification of equivalent many-body dynamics in both classical and quantum regimes.

Johnson, Neil F.; Ashkenazi, Josef; Zhao, Zhenyuan; Quiroga, Luis

2011-03-01

26

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

NASA Astrophysics Data System (ADS)

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 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.

Van Isacker, P.; Heinze, S.

2014-10-01

27

Real-Space Decoupling Transformation for Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

We propose a real-space renormalization group method to explicitly decouple into independent components a many-body system that, as in the phenomenon of spin-charge separation, exhibits separation of degrees of freedom at low energies. Our approach produces a branching holographic description of such systems that opens the path to the efficient simulation of the most entangled phases of quantum matter, such as those whose ground state violates a boundary law for entanglement entropy. As in the coarse-graining transformation of Vidal [Phys. Rev. Lett. 99, 220405 (2007)], the key ingredient of this decoupling transformation is the concept of entanglement renormalization, or removal of short-range entanglement. We demonstrate the feasibility of the approach, both analytically and numerically, by decoupling in real space the ground state of a critical quantum spin chain into two. Generalized notions of renormalization group flow and of scale invariance are also put forward.

Evenbly, G.; Vidal, G.

2014-06-01

28

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

29

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

30

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. PMID:25654245

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

2015-03-01

31

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

32

Local Convertibility and the Quantum Simulation of Edge States in Many-Body Systems

NASA Astrophysics Data System (ADS)

In some many-body systems, certain ground-state entanglement (Rényi) entropies increase even as the correlation length decreases. This entanglement nonmonotonicity is a potential indicator of nonclassicality. In this work, we demonstrate that such a phenomenon, known as lack of local convertibility, is due to the edge-state (de)construction occurring in the system. To this end, we employ the example of the Ising chain, displaying an order-disorder quantum phase transition. Employing both analytical and numerical methods, we compute entanglement entropies for various system bipartitions (A |B ) and consider ground states with and without Majorana edge states. We find that the thermal ground states, enjoying the Hamiltonian symmetries, show lack of local convertibility if either A or B is smaller than, or of the order of, the correlation length. In contrast, the ordered (symmetry-breaking) ground state is always locally convertible. The edge-state behavior explains all these results and could disclose a paradigm to understand local convertibility in other quantum phases of matter. The connection we establish between convertibility and nonlocal, quantum correlations provides a clear criterion of which features a universal quantum simulator should possess to outperform a classical machine.

Franchini, Fabio; Cui, Jian; Amico, Luigi; Fan, Heng; Gu, Mile; Korepin, Vladimir; Kwek, Leong Chuan; Vedral, Vlatko

2014-10-01

33

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

NASA Astrophysics Data System (ADS)

In a recent experiment, Barreiro et al (2011 Nature 470 486) demonstrated the fundamental building blocks of an open-system quantum simulator with trapped ions. Using up to five ions, dynamics were realized by sequences that combined single- and multi-qubit entangling gate operations with optical pumping. This enabled the implementation of both coherent many-body dynamics and 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 this 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.

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

2011-08-01

34

Theory of classical and quantum frustration in quantum many-body systems

We present a general scheme for the study of frustration in quantum systems. After introducing a universal measure of frustration for arbitrary quantum systems, we derive for it an exact inequality in terms of a class of entanglement monotones. We then state sufficient conditions for the ground states of quantum spin systems to saturate the inequality 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 and establish a unified framework for studying the intertwining of geometric and quantum contributions to frustration.

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

2011-01-01

35

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

36

We obtain an exact many-body scattering eigenstate in an open quantum dot system. The scattering state is not in the form of the Bethe eigenstate in the sense that the wave-number set of the incoming plane wave is not conserved during the scattering and many-body bound states appear. By using the scattering state, we study the average nonequilibrium current through the quantum dot under a finite bias voltage. The current-voltage characteristics that we obtained by taking the two-body bound state into account is qualitatively similar to several known results.

Akinori Nishino; Takashi Imamura; Naomichi Hatano

2009-10-30

37

We obtain an exact many-body scattering eigenstate in an open quantum dot system. The scattering state is not in the form of the Bethe eigenstate in the sense that the wave-number set of the incoming plane wave is not conserved during the scattering and many-body bound states appear. By using the scattering state, we study the average nonequilibrium current through the quantum dot under a finite bias voltage. The current-voltage characteristics that we obtained by taking the two-body bound state into account is qualitatively similar to several known results.

Nishino, Akinori; Hatano, Naomichi

2009-01-01

38

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

39

NASA Astrophysics Data System (ADS)

We explore the relaxation dynamics of quantum many-body systems that undergo purely dissipative dynamics through non-classical jump operators that can establish quantum coherence. Our goal is to shed light on the differences in the relaxation dynamics that arise in comparison to systems evolving via classical rate equations. In particular, we focus on a scenario where both quantum and classical dissipative evolution lead to a stationary state with the same values of diagonal or "classical" observables. As a basis for illustrating our ideas we use spin systems whose dynamics becomes correlated and complex due to dynamical constraints, inspired by kinetically constrained models (KCMs) of classical glasses. We show that in the quantum case the relaxation can be orders of magnitude slower than the classical one due to the presence of quantum coherences. Aspects of these idealized quantum KCMs become manifest in a strongly interacting Rydberg gas under electromagnetically induced transparency (EIT) conditions in an appropriate limit. Beyond revealing a link between this Rydberg gas and the rather abstract dissipative KCMs of quantum glassy systems, our study sheds light on the limitations of the use of classical rate equations for capturing the non-equilibrium behavior of this many-body system.

Olmos, Beatriz; Lesanovsky, Igor; Garrahan, Juan P.

2014-10-01

40

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

41

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

42

NASA Astrophysics Data System (ADS)

The following dissertation is an account of my research in the Mandelshtam group at UC Irvine beginning in the Fall of 2006 and ending in the Summer of 2011. My general area of study falls within the realm of equilibrium quantum statistical mechanics, a discipline which attempts to relate molecular-scale properties to time averaged, macroscopic observables. The major tools used herein are the Variational Gaussian Wavepacket (VGW) approximation for quantum calculations, and Monte-Carlo methods, particularly parallel tempering, for global optimization and the prediction of equilibrium thermodynamic properties. Much of my work used these two methods to model both small and bulk systems at equilibrium where quantum effects are significant. All the systems considered are characterized by inter-molecular van der Waals forces, which are weak but significant electrostatic attractions between atoms and molecules and posses a 1/r6 dependence. The research herein begins at the microscopic level, starting with Lennard-Jones (LJ) clusters, then later shifts to the macroscopic for a study involving bulk para-hydrogen. For the LJ clusters the structural transitions induced by a changing deBoer parameter, ?, a measure of quantum delocalization of the constituent particles, are investigated over a range of cluster sizes, N. From the data a "phase" diagram as a function of ? and N is constructed, which depicts the structural motifs favored at different size and quantum parameter. Comparisons of the "quantum induced" structural transitions depicted in the latter are also made with temperature induced transitions and those caused by varying the range of the Morse potential. Following this, the structural properties of binary para-Hydrogen/ ortho-Deuterium clusters are investigated using the VGW approximation and Monte-Carlo methods within the GMIN framework. The latter uses the "Basin-Hopping" algorithm, which simplifies the potential energy landscape, and coupled with the VGW approximation, an efficient and viable method for predicting equilibrium quantum mechanical properties is demonstrated. In the next chapter my contribution to the numerical implementation of the Thermal Gaussian Molecular Dynamics (TGMD) method is discussed. Within TGMD, a mapping of a quantum system to a classical is performed by means of an effective Hamiltonian, H eff, which is computed within the VGW framework. Using the classical dynamical equations of motion with Heff, the properties of a quantum system can be modeled within a classical framework. After this, the bulk system of fluid para-Hydrogen is investigated using the VGW in the NPT ensemble in an attempt to derive the thermodynamic properties at the phase transition and construct the equation of state. The dissertation then concludes with a discussion on the adaptation of the VGW methodology to any molecular system.

Deckman, Jason

43

Macroscopic quantum superpositions in highly-excited strongly-interacting many-body systems

We demonstrate a break-down in the macroscopic (classical-like) dynamics of wave-packets in complex microscopic and mesoscopic collisions. This break-down manifests itself in coherent superpositions of the rotating clockwise and anticlockwise wave-packets in the regime of strongly overlapping many-body resonances of the highly-excited intermediate complex. These superpositions involve $\\sim 10^4$ many-body configurations so that their internal interactive complexity dramatically exceeds all of those previously discussed and experimentally realized. The interference fringes persist over a time-interval much longer than the energy relaxation-redistribution time due to the anomalously slow phase randomization (dephasing). Experimental verification of the effect is proposed.

S. Yu. Kun; L. Benet; L. T. Chadderton; W. Greiner; F. Haas

2003-02-05

44

Finite Temperature Quantum Effects in Many-body Systems by Classical Methods

A recent description of an exact map for the equilibrium structure and thermodynamics of a quantum system onto a corresponding classical system is summarized. Approximate implementations are constructed by pinning exact limits (ideal gas, weak coupling), and illustrated by calculation of pair correlations for the uniform electron gas and shell structure for harmonically confined charges. A wide range of temperatures and densities are addressed in each case. For the electron gas, comparisons are made to recent path integral Monte Carlo simulations (PIMC) showing good agreement. Finally, the relevance for orbital free density functional theory for conditions of warm, dense matter is discussed briefly.

Wrighton, Jeffrey; Dutta, Sandipan

2015-01-01

45

Exactly solvable Richardson-Gaudin models for many-body quantum systems

The use of exactly-solvable Richardson-Gaudin (R-G) models to describe the physics of systems with strong pair correlations is reviewed. We begin with a brief discussion of Richardson's early work, which demonstrated the exact solvability of the pure pairing model, and then show how that work has evolved recently into a much richer class of exactly-solvable models. We then show how the Richardson solution leads naturally to an exact analogy between such quantum models and classical electrostatic problems in two dimensions. This is then used to demonstrate formally how BCS theory emerges as the large-N limit of the pure pairing Hamiltonian and is followed by several applications to problems of relevance to condensed matter physics, nuclear physics and the physics of confined systems. Some of the interesting effects that are discussed in the context of these exactly-solvable models include: (1) the crossover from superconductivity to a fluctuation-dominated regime in small metallic grains, (2) the role of the nucleon Pauli principle in suppressing the effects of high spin bosons in interacting boson models of nuclei, and (3) the possibility of fragmentation in confined boson systems. Interesting insight is also provided into the origin of the superconducting phase transition both in two-dimensional electronic systems and in atomic nuclei, based on the electrostatic image of the corresponding exactly-solvable quantum pairing models.

J. Dukelsky; S. Pittel; G. Sierra

2004-05-05

46

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.

47

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

48

Further Consequences of the Canonical sequence Method in Quantum Many-Body Systems

NASA Astrophysics Data System (ADS)

A number of years ago, Horn and Weinstein (Phys. Rev. D30, 1256(1984)) introduced a novel nonperturbative method for calculating ground-state expectation values for Hamiltonian systems. Although close in spirit to standard variational schemes this ``t-expansion" introduces a fictional parameter t to the trial state exp(-hatHt/2) |?> wherein the limit tarrow ? yields convergence to the ground-state energy E0 for the expansion [ lim _tarrow ? frac< ? | hatH exp ( -hatHt) | ? > < ? | exp ( -hatHt) | ? > =E_0. ] Recently Samaj et al. (J. Phys. A30, 1471(1997)) have generalized the t-expansion technique and the related Connected Moments Expansion to a more general canonical sequence. They then apply this canonical series to the quantum Ising model. In the present work we have expounded upon the work of Samaj et al. and have applied this to a number of different many-particle Hamiltonian systems.

Fessatidis, Vassilios; Mancini, Jay D.; Murawski, Robert K.; Bowen, Samuel P.

2000-03-01

49

Controlling the dynamics of an open many-body quantum system with localized dissipation.

We experimentally investigate the action of a localized dissipative potential on a macroscopic matter wave, which we implement by shining an electron beam on an atomic Bose-Einstein condensate (BEC). We measure the losses induced by the dissipative potential as a function of the dissipation strength observing a paradoxical behavior when the strength of the dissipation exceeds a critical limit: for an increase of the dissipation rate the number of atoms lost from the BEC becomes lower. We repeat the experiment for different parameters of the electron beam and we compare our results with a simple theoretical model, finding excellent agreement. By monitoring the dynamics induced by the dissipative defect we identify the mechanisms which are responsible for the observed paradoxical behavior. We finally demonstrate the link between our dissipative dynamics and the measurement of the density distribution of the BEC allowing for a generalized definition of the Zeno effect. Because of the high degree of control on every parameter, our system is a promising candidate for the engineering of fully governable open quantum systems. PMID:23373931

Barontini, G; Labouvie, R; Stubenrauch, F; Vogler, A; Guarrera, V; Ott, H

2013-01-18

50

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

51

Path integral Monte Carlo (PIMC) is a quantum-level simulation method based on a stochastic sampling of the many-body thermal density matrix. Utilizing the imaginary-time formulation of Feynman's sum-over-histories, it includes thermal fluctuations and particle correlations in a natural way. Over the past two decades, PIMC has been applied to the study of the electron gas, hydrogen under extreme pressure, and

Kenneth Paul Esler

2006-01-01

52

Stroboscopic observation of quantum many-body dynamics

Recent experiments have demonstrated single-site resolved observation of cold atoms in optical lattices. Thus, in the future it may be possible to take repeated snapshots of an interacting quantum many-body system during the course of its evolution. Here we address the impact of the resulting Quantum (anti-)Zeno physics on the many-body dynamics. We use time-dependent DMRG to obtain the time evolution of the full many-body wave function that is then periodically projected in order to simulate realizations of stroboscopic measurements. For the example of a 1-D lattice of spin-polarized fermions with nearest-neighbor interactions, we find regimes for which many-particle configurations are stabilized and destabilized depending on the interaction strength and the time between observations.

Kessler, Stefan; McCulloch, Ian P; von Delft, Jan; Marquardt, Florian

2011-01-01

53

Stroboscopic observation of quantum many-body dynamics

Recent experiments have demonstrated single-site resolved observation of cold atoms in optical lattices. Thus, in the future it may be possible to take repeated snapshots of an interacting quantum many-body system during the course of its evolution. Here we address the impact of the resulting Quantum (anti-)Zeno physics on the many-body dynamics. We use the time-dependent density-matrix renormalization group to obtain the time evolution of the full many-body wave function, which is then periodically projected in order to simulate realizations of stroboscopic measurements. For the example of a one-dimensional lattice of spin-polarized fermions with nearest-neighbor interactions, we find regimes for which many-particle configurations are stabilized and destabilized depending on the interaction strength and the time between observations.

Stefan Kessler; Andreas Holzner; Ian P. McCulloch; Jan von Delft; Florian Marquardt

2012-01-12

54

We present an overview of "XSAPT", a family of quantum chemistry methods for noncovalent interactions. These methods combine an efficient, iterative, monomer-based approach to computing many-body polarization interactions with a two-body version of symmetry-adapted perturbation theory (SAPT). The result is an efficient method for computing accurate intermolecular interaction energies in large noncovalent assemblies such as molecular and ionic clusters, molecular crystals, clathrates, or protein-ligand complexes. As in traditional SAPT, the XSAPT energy is decomposable into physically meaningful components. Dispersion interactions are problematic in traditional low-order SAPT, and two new approaches are introduced here in an attempt to improve this situation: (1) third-generation empirical atom-atom dispersion potentials, and (2) an empirically scaled version of second-order SAPT dispersion. Comparison to high-level ab initio benchmarks for dimers, water clusters, halide-water clusters, a methane clathrate hydrate, and a DNA intercalation complex illustrate both the accuracy of XSAPT-based methods as well as their limitations. The computational cost of XSAPT scales as [Formula: see text](N(3))-[Formula: see text](N(5)) with respect to monomer size, N, depending upon the particular version that is employed, but the accuracy is typically superior to alternative ab initio methods with similar scaling. Moreover, the monomer-based nature of XSAPT calculations makes them trivially parallelizable, such that wall times scale linearly with respect to the number of monomer units. XSAPT-based methods thus open the door to both qualitative and quantitative studies of noncovalent interactions in clusters, biomolecules, and condensed-phase systems. PMID:25408114

Lao, Ka Un; Herbert, John M

2015-01-15

55

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

56

Estimation of many-body quantum Hamiltonians via compressive sensing

We develop an efficient and robust approach for quantum measurement of nearly sparse many-body quantum Hamiltonians based on the method of compressive sensing. This work demonstrates that with only O(sln(d)) experimental ...

Shabani, A.

57

Phenomenology of fully many-body-localized systems

NASA Astrophysics Data System (ADS)

We consider fully many-body-localized systems, i.e., isolated quantum systems where all the many-body eigenstates of the Hamiltonian are localized. We define a sense in which such systems are integrable, with localized conserved operators. These localized operators are interacting pseudospins, and the Hamiltonian is such that unitary time evolution produces dephasing but not "flips" of these pseudospins. As a result, an initial quantum state of a pseudospin can in principle be recovered via (pseudospin) echo procedures. We discuss how the exponentially decaying interactions between pseudospins lead to logarithmic-in-time spreading of entanglement starting from nonentangled initial states. These systems exhibit multiple different length scales that can be defined from exponential functions of distance; we suggest that some of these decay lengths diverge at the phase transition out of the fully many-body-localized phase while others remain finite.

Huse, David A.; Nandkishore, Rahul; Oganesyan, Vadim

2014-11-01

58

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

59

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

60

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

61

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.

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

2013-01-13

62

Quantum metrology -- optical atomic clocks and many-body physics.

NASA Astrophysics Data System (ADS)

Optical clocks based on atoms confined in optical lattices provide a unique opportunity for precise study and measurement of quantum many- body systems. The state-of-the-art optical lattice clock has reached an overall fractional frequency uncertainty of 1 x 10-16 [1]. One dominant contribution to this uncertainty is clock frequency shift arising from atomic collisions. Collisions between initially identical fermionic Sr atoms can occur when they are subject to slightly inhomogeneous optical excitations during the clock operation [2]. We have recently implemented a seemingly paradoxical solution to the collisionshift problem: with a strong atomic confinement in one-dimensional tube-shaped optical traps, we dramatically increase the atomic interactions. Instead of a naively expected increase of collisional frequency shifts, these shifts are increasingly suppressed [3]. The large atomic interaction strength creates an effective energy gap in the system such that inhomogeneous excitations can no longer drive fermions into a pseudo-spin antisymmetric state, and hence their collisions and the corresponding frequency shifts are suppressed. We demonstrate the effectiveness of this approach by reducing the density-related frequency shift to the level of 10-17, representing more than a factor of ten reduction from the previous record [1, 2]. In addition, we have observed well-resolved interaction sidebands separated from the main peak of the clock transition, giving a direct evidence for the removal of the interaction energy from the clock carrier transition. Control of atomic interactions at the level of 1 x 10-17 is a testimony to our understanding of a quantum many-body system and it removes an important obstacle for building an optical atomic clock based on such systems with high accuracy. [4pt] [1] A. D. Ludlow et al., Science 319, 1805 (2008). [0pt] [2] G. K. Campbell et al., Science 324, 360 (2009). [0pt] [3] M. D. Swallows et al., Science 331, 1043 (2011).

Ye, Jun

2011-10-01

63

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

64

Area laws and approximations of quantum many-body states

It is commonly believed that area laws for entanglement entropies imply that a quantum many-body state can be faithfully represented by efficient tensor network states - a conjecture frequently stated in the context of numerical simulations and analytical considerations. In this work, we show that this is in general not the case, except in one dimension. We prove that the set of quantum many-body states that satisfy an area law for all Renyi entropies contains a subspace of exponential dimension. Establishing a novel link between quantum many-body theory and the theory of communication complexity, we then show that there are states satisfying area laws for all Renyi entropies but cannot be approximated by states with a classical description of small Kolmogorov complexity, including polynomial projected entangled pair states (PEPS) or states of multi-scale entanglement renormalisation (MERA). Not even a quantum computer with post-selection can efficiently prepare all quantum states fulfilling an area law, and we show that not all area law states can be eigenstates of local Hamiltonians. We also prove translationally invariant and isotropic instances of these results.

Yimin Ge; Jens Eisert

2014-11-11

65

Computational nuclear quantum many-body problem: The UNEDF project

NASA Astrophysics Data System (ADS)

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.

Bogner, S.; Bulgac, A.; Carlson, J.; Engel, J.; Fann, G.; Furnstahl, R. J.; Gandolfi, S.; Hagen, G.; Horoi, M.; Johnson, C.; Kortelainen, M.; Lusk, E.; Maris, P.; Nam, H.; Navratil, P.; Nazarewicz, W.; Ng, E.; Nobre, G. P. A.; Ormand, E.; Papenbrock, T.; Pei, J.; Pieper, S. C.; Quaglioni, S.; Roche, K. J.; Sarich, J.; Schunck, N.; Sosonkina, M.; Terasaki, J.; Thompson, I.; Vary, J. P.; Wild, S. M.

2013-10-01

66

Singular factorizations, self-adjoint extensions, and applications to quantum many-body physics

We study self-adjoint operators defined by factorizing second order differential operators in first order ones. We discuss examples where such factorizations introduce singular interactions into simple quantum mechanical models like the harmonic oscillator or the free particle on the circle. The generalization of these examples to the many-body case yields quantum models of distinguishable and interacting particles in one dimensions which can be solved explicitly and by simple means. Our considerations lead us to a simple method to construct exactly solvable quantum many-body systems of Calogero-Sutherland type.

Edwin Langmann; Ari Laptev; Cornelius Paufler

2005-10-12

67

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

This dissertation discusses the Landau-Zener (LZ) theory and its application in noisy environments and in many-body systems. The first project considers the effect of fast quantum noise on LZ transitions. There are two important time intervals...

Sun, Deqiang

2010-01-16

68

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

69

Quantum simulation of many-body spin interactions with ultracold polar molecules

We present an architecture for the quantum simulation of many-body spin interactions based on ultracold polar molecules trapped in optical lattices. Our approach employs digital quantum simulation, i.e., the dynamics of the simulated system is reproduced by the quantum simulator in a stroboscopic pattern, and allows to simulate both coherent and dissipative dynamics. We discuss the realization of Kitaev's toric code Hamiltonian, a paradigmatic model involving four-body interactions, and we analyze the requirements for an experimental implementation.

Hendrik Weimer

2013-01-07

70

Many-body interactions with single-electron quantum dots for topological quantum computation

We show that a many-body system of single-electron quantum dots, whose orbital states are dressed by a global magnetic field, can be described by an effective Hamiltonian with an anisotropic XZ spin-spin interaction which is proportional to the Zeeman splitting. We show that these interaction potentials give rise to spin-dependent Hubbard models with tunable nearest neighbor two-body and three-body interactions. The two-body interactions can even be switched off via the external electric field, and hence the three-body interaction plays a dominant role. The derivation of these effective interaction potentials follows from a well-controlled and systematic expansion into many-body interaction terms. Models of this type have appeared in the recent discussion of exotic quantum phases, in particular in the context of topological quantum phases and quantum computing, and we show that quantum dots can be regarded as a realistic experimental route which provides the basic building blocks and techniques toward the study of these phenomena. The main application of this derived model is to develop topological quantum computation.

Xue Peng [Department of Physics, Southeast University, Nanjing 211189 (China)

2010-05-15

71

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

72

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

73

NASA Astrophysics Data System (ADS)

We show a general approach for detecting genuine multipartite entanglement and partial inseparability in many-body systems by means of macroscopic observables (such as the energy) only. We show that the obtained criteria detect large areas of genuine multipartite entanglement and partial entanglement in typical mixed many-body states, which are not detected by other criteria. As genuine multipartite entanglement is a necessary property for several quantum information theoretic applications such as, e.g., secret sharing or certain kinds of quantum computation, our methods can be used to select or design appropriate condensed matter systems.

Gabriel, A.; Hiesmayr, B. C.

2013-02-01

74

Quantum many-body theory and mechanisms for low energy nuclear reaction processes in matter

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

Yeong E. Kim

2004-01-01

75

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

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

Y. E. Kim

2004-01-01

76

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

77

Cooling through quantum criticality and many-body effects in condensed matter and cold gases

NASA Astrophysics Data System (ADS)

This article reviews some recent developments for new cooling technologies in the fields of condensed matter physics and cold gases, both from an experimental and theoretical point of view. The main idea is to make use of distinct many-body interactions of the system to be cooled which can be some cooling stage or the material of interest itself, as is the case in ultracold gases. For condensed matter systems, we discuss magnetic cooling schemes based on a large magnetocaloric effect as a result of a nearby quantum phase transition and consider effects of geometrical frustration. For ultracold gases, we review many-body cooling techniques, such as spin-gradient and Pomeranchuk cooling, which can be applied in the presence of an optical lattice. We compare the cooling performance of these new techniques with that of conventional approaches and discuss state-of-the-art applications.

Wolf, Bernd; Honecker, Andreas; Hofstetter, Walter; Tutsch, Ulrich; Lang, Michael

2014-10-01

78

Stroboscopic observation of quantum many-body dynamics Stefan Keler,1

Stroboscopic observation of quantum many-body dynamics Stefan KeÃ?ler,1 Andreas Holzner,2 Ian P. Mc of stroboscopic measurements. For the example of a 1-D lattice of spin-polarized fermions with nearest of this "stroboscopic" many-body dynamics in the case of a 1-D lattice of spin-polarized fermions with nearest

von Delft, Jan

79

Quantum many-body dynamics of coupled double-well superlattices Peter Barmettler,1

Quantum many-body dynamics of coupled double-well superlattices Peter Barmettler,1 Ana Maria Rey,2 in opti- cal lattices 10Â12 . Here we generalize these approaches to study the many-body dynamics of a simple iterative swap- ping procedure, performed by controlling the double-well barrier height see Fig. 1

Demler, Eugene

80

Scale-free entanglement replication in driven-dissipative many body systems

We study the dynamics of independent arrays of many-body dissipative systems, subject to a common driving by an entangled light field. We show that in the steady state the global system orders in a series of inter-array strongly entangled pairs over all distances. Such scale-free entanglement replication and long-distance distribution mechanism has potential applications for the implementation of robust quantum networked communication.

Zippilli, S; Adesso, G; Illuminati, F

2012-01-01

81

Many-Body Effects and Lineshape of Intersubband Transitions in Semiconductor Quantum Wells

NASA Technical Reports Server (NTRS)

Intersubband Transition (ISBT) infrared (IR) absorption and PL in InAs/AlSb were studied for narrow Quantum Wells (QWs). A large redshift was observed (7-10 meV) as temperature increased. A comprehensive many-body theory was developed for ISBTs including contributions of c-c and c-phonon scatterings. Many-body effects were studied systematically for ISBTs. Redshift and linewidth dependence on temperature, as well as spectral features were well explained by theory.

Ning, Cun-Zheng

2003-01-01

82

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

83

Entanglement and dynamics in many-body systems

NASA Astrophysics Data System (ADS)

In the first part of this dissertation, we study the dynamics of isolated and clean quantum systems out of equilibrium. We initially address the Kibble-Zurek (KZ) problem of determining the dynamical evolution of a system close to its critical point under slow changes of a control parameter. We formulate a scaling limit in which the nonequilibrium behavior is universal and discuss the universal content. We then report computations of some scaling functions in model Gaussian and large-N problems. Next, we apply KZ scaling to topologically ordered systems with no local order parameter. In the examples of the Ising gauge theory and the SU(2)k phases of the Levin-Wen models, we observe a slow, coarsening dynamics for the string-net that underlies the physics of the topological phase at late times for ramps across transitions that reduce topological order. We conclude by studying quenches in the quantum O(N) model in the infinite N limit in varying spatial dimensions. Despite the failure to equilibrate owing to an infinite number of emergent conservation laws, the qualitative features of late time states following quenches is predicted by the equilibrium phase diagram. In the second part of this dissertation, we explore the relationship between entanglement and topological order in fractional quantum Hall (FQH) phases. In 2008, Li and Haldane conjectured that the entanglement spectrum (ES), a presentation of the Schmidt values of a real space cut, reflects the energy spectrum of the FQH chiral edge. Specifically, both spectra should have the same quasi-degeneracy of eigenvalues everywhere in the phase. We offer an analytic, microscopic proof of this conjecture in the Read-Rezayi sequence of model states. We further identify a different ES that reflects the bulk quasihole spectrum and prove a bulk-edge correspondence in the ES. Finally, we show that the finite-size corrections of the ES of the Laughlin states reveal the fractionalization of the underlying quasiparticles.

Chandran, Anushya

84

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

85

Polarization in extended many body systems with correlations: a feasible theoretical method

NASA Astrophysics Data System (ADS)

We present a quantum Monte Carlo method for calculations of changes in electric polarization of extended many-body systems including correlations. The key idea utilizes the fact that changes in polarization can be expressed in terms of the integrated current(Resta, R., 1992, Ferroelectrics 136, 51), which can be obtained by sampling the particle displacements distributed according to the QMC wavefunctions. Previously, the method(King-Smith, R.D., and D. Vanderbilt, 1993, Phys. Rev. B 47), 1651 used for addressing this difficult problem involved expressions for the integrated current in terms of a Berry's phase derived from the phases of the wavefunctions. It has been applied only to uncorrelated electrons and to correlated systems using exact diagonalization, which is limited to extremely small periodic cells. Our method can be applied to general many-body systems and we present results for Hubbard-type lattice models, where there are interesting anomalies at magnetic transitions.

Wilkens, Tim; Martin, Richard M.; Koch, Erik; Ceperley, David M.

1998-03-01

86

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

87

PREFACE: Advanced many-body and statistical methods in mesoscopic systems

NASA Astrophysics Data System (ADS)

It has increasingly been realized in recent times that the borders separating various subfields of physics are largely artificial. This is the case for nanoscale physics, physics of lower-dimensional systems and nuclear physics, where the advanced techniques of many-body theory developed in recent times could provide a unifying framework for these disciplines under the general name of mesoscopic physics. Other fields, such as quantum optics and quantum information, are increasingly using related methods. The 6-day conference 'Advanced many-body and statistical methods in mesoscopic systems' that took place in Constanta, Romania, between 27 June and 2 July 2011 was, we believe, a successful attempt at bridging an impressive list of topical research areas: foundations of quantum physics, equilibrium and non-equilibrium quantum statistics/fractional statistics, quantum transport, phases and phase transitions in mesoscopic systems/superfluidity and superconductivity, quantum electromechanical systems, quantum dissipation, dephasing, noise and decoherence, quantum information, spin systems and their dynamics, fundamental symmetries in mesoscopic systems, phase transitions, exactly solvable methods for mesoscopic systems, various extension of the random phase approximation, open quantum systems, clustering, decay and fission modes and systematic versus random behaviour of nuclear spectra. This event brought together participants from seventeen countries and five continents. Each of the participants brought considerable expertise in his/her field of research and, at the same time, was exposed to the newest results and methods coming from the other, seemingly remote, disciplines. The talks touched on subjects that are at the forefront of topical research areas and we hope that the resulting cross-fertilization of ideas will lead to new, interesting results from which everybody will benefit. We are grateful for the financial and organizational support from IFIN-HH, Ovidius University (where the conference took place), the Academy of Romanian Scientists and the Romanian National Authority for Scientific Research. This conference proceedings volume brings together some of the invited and contributed talks of the conference. The hope of the editors is that they will constitute reference material for applying many-body techniques to problems in mesoscopic and nuclear physics. We thank all the participants for their contribution to the success of this conference. D V Anghel and D S Delion IFIN-HH, Bucharest, Romania G S Paraoanu Aalto University, Finland Conference photograph

Anghel, Dragos Victor; Sabin Delion, Doru; Sorin Paraoanu, Gheorghe

2012-02-01

88

Environment induced entanglement in many-body mesoscopic systems

We show that two, non interacting, infinitely long spin chains can become globally entangled at the mesoscopic level of their fluctuation operators through a purely noisy microscopic mechanism induced by the presence of a common heat bath. By focusing on a suitable class of mesoscopic observables, the behaviour of the dissipatively generated quantum correlations between the two chains is studied as a function of the dissipation strength and bath temperature.

F. Benatti; F. Carollo; R. Floreanini

2014-05-07

89

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

90

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

91

Many-body Coulomb effects in room-temperature II-VI quantum well semiconductor lasers

NASA Astrophysics Data System (ADS)

The role of many-body Coulomb interactions in the electron-hole plasma of II-VI quantum well lasers was investigated. A microscopic theory based on the semiconductor-Bloch equations in the screened Hartree-Fock approximation was applied. It was determined that many-body effects, in the form of band gap renormalization and Coulomb enhancement, had significant influences on the gain and carrier-induced refractive index. They were especially relevant in determining carrier density dependencies. Although a specific ZnCdSe-ZeSe structure was treated in this work, the results applied to II-VI lasers in general.

Chow, W. W.; Koch, S. W.

1995-05-01

92

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

93

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

94

NASA Astrophysics Data System (ADS)

We introduce quantum information engines that extract work from quantum states and a single thermal reservoir. They may operate under three general conditions—(1) unitarily steered evolution (US), driven by a restricted set of available Hamiltonians; (2) irreversible thermalization (IT), and (3) isothermal relaxation (IR)—and hence are called USITIR machines. They include novel engines without traditional feedback control mechanisms, as well as versions which also include them. Explicit constructions of USITIR engines are presented for one- and two-qubit states and their maximum extractable work is computed, which is optimal. Optimality is achieved when the notions of controllable thermalizability and density matrix controllability are fulfilled. Then many-body extensions of USITIR engines are also analyzed and conditions for optimal work extraction are identified. When they are not met, we measure their lack of optimality by means of newly defined uncontrollable entropies, which are explicitly computed for some selected examples. This includes cases of distinguishable and indistinguishable particles.

Diaz de la Cruz, J. M.; Martin-Delgado, M. A.

2014-03-01

95

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

96

Computational approaches to many-body dynamics of unstable nuclear systems

The goal of this presentation is to highlight various computational techniques used to study dynamics of quantum many-body systems. We examine the projection and variable phase methods being applied to multi-channel problems of scattering and tunneling; here the virtual, energy-forbidden channels and their treatment are of particular importance. The direct time-dependent solutions using Trotter-Suzuki propagator expansion provide yet another approach to exploring the complex dynamics of unstable systems. While presenting computational tools, we briefly revisit the general theory of the quantum decay of unstable states. The list of questions here includes those of the internal dynamics in decaying systems, formation and evolution of the radiating state, and low-energy background that dominates at remote times. Mathematical formulations and numerical approaches to time-dependent problems are discussed using the quasi-stationary methods involving effective Non-Hermitian Hamiltonian formulation.

Alexander Volya

2014-12-19

97

Computational approaches to many-body dynamics of unstable nuclear systems

The goal of this presentation is to highlight various computational techniques used to study dynamics of quantum many-body systems. We examine the projection and variable phase methods being applied to multi-channel problems of scattering and tunneling; here the virtual, energy-forbidden channels and their treatment are of particular importance. The direct time-dependent solutions using Trotter-Suzuki propagator expansion provide yet another approach to exploring the complex dynamics of unstable systems. While presenting computational tools, we briefly revisit the general theory of the quantum decay of unstable states. The list of questions here includes those of the internal dynamics in decaying systems, formation and evolution of the radiating state, and low-energy background that dominates at remote times. Mathematical formulations and numerical approaches to time-dependent problems are discussed using the quasi-stationary methods involving effective Non-Hermitian Hamiltonian formulation.

Volya, Alexander

2014-01-01

98

Extraction of many-body configurations from nonlinear absorption in semiconductor quantum wells.

Detailed electronic many-body configurations are extracted from quantitatively measured time-resolved nonlinear absorption spectra of resonantly excited GaAs quantum wells. The microscopic theory assigns the observed spectral changes to a unique mixture of electron-hole plasma, exciton, and polarization effects. Strong transient gain is observed only under cocircular pump-probe conditions and is attributed to the transfer of pump-induced coherences to the probe. PMID:20867334

Smith, R P; Wahlstrand, J K; Funk, A C; Mirin, R P; Cundiff, S T; Steiner, J T; Schafer, M; Kira, M; Koch, S W

2010-06-18

99

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

100

Single-particle and many-body analyses of a quasiperiodic integrable system after a quench

NASA Astrophysics Data System (ADS)

In general, isolated integrable quantum systems have been found to relax to an apparent equilibrium state in which the expectation values of few-body observables are described by the generalized Gibbs ensemble. However, recent work has shown that relaxation to such a generalized statistical ensemble can be precluded by localization in a quasiperiodic lattice system. Here we undertake complementary single-particle and many-body analyses of noninteracting spinless fermions and hard-core bosons within the Aubry-André model to gain insight into this phenomenon. Our investigations span both the localized and delocalized regimes of the quasiperiodic system, as well as the critical point separating the two. Considering first the case of spinless fermions, we study the dynamics of the momentum distribution function and characterize the effects of real-space and momentum-space localization on the relevant single-particle wave functions and correlation functions. We show that although some observables do not relax in the delocalized and localized regimes, the observables that do relax in these regimes do so in a manner consistent with a recently proposed Gaussian equilibration scenario, whereas relaxation at the critical point has a more exotic character. We also construct various statistical ensembles from the many-body eigenstates of the fermionic and bosonic Hamiltonians and study the effect of localization on their properties.

He, Kai; Santos, Lea F.; Wright, Tod M.; Rigol, Marcos

2013-06-01

101

Recent experimental achievements in controlling ultracold gases in optical lattices open a new perspective on quantum many-body physics. In these experimental setups, it is possible to study coherent time evolution of isolated quantum systems. These dynamics reveal new physics beyond the low-energy properties that are usually relevant in solid-state many-body systems. In this paper, we study the time evolution of

Peter Barmettler; Matthias Punk; Vladimir Gritsev; Eugene Demler; Ehud Altman

2010-01-01

102

On the rate of convergence for the mean field approximation of many-body quantum dynamics

We consider the time evolution of quantum states by many-body Schr\\"odinger dynamics and study the rate of convergence of their reduced density matrices in the mean field limit. If the prepared state at initial time is of coherent or factorized type and the number of particles $n$ is large enough then it is known that $1/n$ is the correct rate of convergence at any time. We show in the simple case of bounded pair potentials that the previous rate of convergence holds in more general situations with possibly correlated prepared states. In particular, it turns out that the coherent structure at initial time is unessential and the important fact is rather the speed of convergence of all reduced density matrices of the prepared states. We illustrate our result with several numerical simulations and examples of multi-partite entangled quantum states borrowed from quantum information.

Zied Ammari; Marco Falconi; Boris Pawilowski

2014-11-23

103

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

104

NASA Astrophysics Data System (ADS)

We study a new class of unconventional critical phenomena that is characterized by singularities only in dynamical quantities and has no thermodynamic signatures. One example of such a transition is the recently proposed many-body localization-delocalization transition, in which transport coefficients vanish at a critical temperature with no singularities in thermodynamic observables. Describing this purely dynamical quantum criticality is technically challenging as understanding the finite-temperature dynamics necessarily requires averaging over a large number of matrix elements between many-body eigenstates. Here, we develop a real-space renormalization group method for excited states that allows us to overcome this challenge in a large class of models. We characterize a specific example: the 1 D disordered transverse-field Ising model with generic interactions. While thermodynamic phase transitions are generally forbidden in this model, using the real-space renormalization group method for excited states we find a finite-temperature dynamical transition between two localized phases. The transition is characterized by nonanalyticities in the low-frequency heat conductivity and in the long-time (dynamic) spin correlation function. The latter is a consequence of an up-down spin symmetry that results in the appearance of an Edwards-Anderson-like order parameter in one of the localized phases.

Pekker, David; Refael, Gil; Altman, Ehud; Demler, Eugene; Oganesyan, Vadim

2014-01-01

105

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

106

Holographic Mean-Field Theory for Baryon Many-Body Systems

NASA Astrophysics Data System (ADS)

We report the recent work done in Ref. 1, where we propose a mean-field approach to analyze many-body systems of fermions in the gauge/gravity duality. We introduce a non-vanishing classical fermionic field in the gravity dual, which we call the holographic mean field for fermions. The holographic mean field takes account of the many-body dynamics of the fermions in the bulk. We predict the equation of state between the chemical potential and the baryon number density.

Harada, Masayasu; Nakamura, Shin; Takemoto, Shinpei

107

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

NASA Astrophysics Data System (ADS)

This dissertation discusses the Landau-Zener (LZ) theory and its application in noisy environments and in many-body systems. The first project considers the effect of fast quantum noise on LZ transitions. There are two important time intervals separated by the characteristic LZ time. For each interval we derive and solve the evolution equation, and match the solutions at the boundaries to get a complete solution. Outside the LZ time interval, we derive the master equation, which differs from the classical equation by a quantum commutation term. Inside the LZ time interval, the mixed longitudinal-transverse noise correlation renormalizes the LZ gap and the system evolves according to the renormalized LZ gap. In the extreme quantum regime at zero temperature our theory gives a beautiful result which coincides with that of other authors. Our initial attempts to solve two experimental puzzles - an isotope effect and the quantized hysteresis curve of a single molecular magnet - are also discussed. The second project considers an ultracold dilute Fermi gas in a magnetic field sweeping across the broad Feshbach resonance. The broad resonance condition allows us to use the single mode approximation and to neglect the energy dispersion of the fermions. We 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 production from the initial fermions is described by a LZ-like formula with a strongly renormalized LZ gap that is independent of the initial fermion density. We predict that molecular production during a field-sweep strongly depends on the initial value of magnetic field. We predict that in the inverse process of molecular dissociation, immediately after the sweeping stops there appear Cooper pairs with parallel electronic spins and opposite momenta.

Sun, Deqiang

108

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

109

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

NASA Astrophysics Data System (ADS)

This work presents a new Microsoft Visual C# .NET code library, conceived as a general object oriented solution for chaos analysis of three-dimensional, relativistic many-body systems. In this context, we implemented the Lyapunov exponent and the “fragmentation level” (defined using the graph theory and the Shannon entropy). Inspired by existing studies on billiard nuclear models and clusters of galaxies, we tried to apply the virial theorem for a simplified many-body system composed by nucleons. A possible application of the “virial coefficient” to the stability analysis of chaotic systems is also discussed. Catalogue identifier: AEGH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_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.: 30?053 No. of bytes in distributed program, including test data, etc.: 801?258 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 RAM: 128 Megabytes Classification: 6.2, 6.5 External routines: .Net Framework 2.0 Library Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems. Object oriented solution, easy to reuse, extend and customize, in any development environment which accepts .Net assemblies or COM components. Implementation of: Lyapunov exponent, “fragmentation level”, “average system radius”, “virial coefficient”, and energy conservation precision test. Additional comments: Easy copy/paste based deployment method. Running time: Quadratic complexity.

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

2010-08-01

110

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

111

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

112

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

113

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

114

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

115

Charge optimized many-body potential for the Si/SiO{sub 2} system

A dynamic-charge, many-body potential for the Si/SiO{sub 2} system, based on an extended Tersoff potential for semiconductors, is proposed and implemented. The validity of the potential function is tested for both pure silicon and for five polymorphs of silica, for which good agreement is found between the calculated and experimental structural parameters and energies. The dynamic charge transfer intrinsic to the potential function allows the interface properties to be captured automatically, as demonstrated for the silicon/{beta}-cristobalite interface.

Yu Jianguo; Sinnott, Susan B.; Phillpot, Simon R. [Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611-6400 (United States)

2007-02-15

116

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

Bin Wang

2008-01-01

117

Entanglement growth in many-body localized systems with long-range interactions

NASA Astrophysics Data System (ADS)

We show that von Neumann entropy grows algebraically in time for many-body localized systems with long-range interactions. The dephasing time of far-apart localized degrees of freedom is studied first. For a disentangled high-energy initial state, our analysis indicates that the entropy of one half of the system evolves as t1 /(p +1 ), where p controls the spatial decay of interactions. Numerical simulations of the entropy evolution in the Coulomb and dipolar cases also exhibit an algebraic growth. We find that the saturation value of von Neumann entropy is extensive but small for an ergodic state, and it does not depend on the shape of the interactions. Due to the algebraic entanglement spread, the signature of an extensive entropy should be much easier to observe in experiments with nonlocal interactions than in those with local ones.

Pino, M.

2014-11-01

118

Many-body theory of carrier capture and relaxation in semiconductor quantum-dot lasers

For quantum dots on a wetting layer, the role of Coulomb scattering and carrier-phonon interaction for carrier capture and relaxation of carriers between the quantum-dot levels are studied theoretically

T. R. Nielsen; P. Gartner; F. Jahnke

2004-01-01

119

NASA Astrophysics Data System (ADS)

Underlying the many-body effects of ultracold atomic gases are the few-body dynamics and interparticle interactions. Moreover, the study of few-body systems on their own has accelerated due to confining few atoms in each well of a deep optical lattice or in a single microtrap. This thesis studies the microscopic properties of few-body systems under external spherically symmetric harmonic confinement and how the few-body properties translate to the many-body system. Bosonic and fermionic few-body systems are considered and the dependence of the energetics and other quantities are investigated as functions of the s-wave scattering length, the mass ratio and the temperature. It is found that the condensate fraction of a weakly-interacting trapped Bose gas depletes quadratically with the s-wave scattering length. The next order term in the depletion depends not only, as might be expected naively, on the s-wave scattering length and the effective range but additionally on a two-body parameter that is not needed to reproduce the energy of weakly-interacting trapped Bose gases. This finding has important implications for effective field theory treatments of the system. Weakly-interacting atomic and molecular two-component Fermi gases with equal masses are described using perturbative approaches. The energy shifts are tabulated and interpreted, and a measure of the molecular condensate fraction is developed. We develop a measure of the molecular condensate fraction using the two-body density matrix and we develop a model of the spherical component of the momentum distribution that agrees well with stochastic variational calculations. We establish the existence of intersystem degeneracies for equal mass two-component Fermi gases with zero-range interactions, where the eigen energies of the spin-imbalanced system are degenerate with a subset of the eigen energies of the more spin-balanced system and the same total number of fermions. For unequal mass two-component Fermi gases with infinitely large interspecies scattering length, a theoretical framework that describes N-body resonances is developed. The microscopic energy spectra of the trapped two- and three-body systems with unequal masses is used to calculate the second- and third-order virial coefficients. The resulting virial equation of state is used to make the first predictions for the thermodynamic behavior of the normal phase strongly-interacting mass-imbalanced two-component Fermi gases. First predictions for the virial equation of state of bosonic and fermionic dipolar gases with equal masses are presented.

Daily, Kevin Michael

120

The evolution of two dimensional interfaces in a Laplacian field is discussed. By mapping the growing region conformally onto the unit disk, the problem is converted to the dynamics of a many-body system. This problem is shown to be Hamiltonian. An extension of the many body approach to a continuous density is discussed. The Hamiltonian structure allows introduction of surface effects as an external field. These results are used to formulate a first-principles statistical theory for the morphology of the interface using statistical mechanics for the many-body system.

Blumenfeld, R.

1994-07-01

121

A driven similarity renormalization group approach to quantum many-body problems

NASA Astrophysics Data System (ADS)

Applications of the similarity renormalization group (SRG) approach [F. Wegner, Ann. Phys. 506, 77 (1994) and S. D. G?azek and K. G. Wilson, Phys. Rev. D 49, 4214 (1994)] to the formulation of useful many-body theories of electron correlation are considered. In addition to presenting a production-level implementation of the SRG based on a single-reference formalism, a novel integral version of the SRG is reported, in which the flow of the Hamiltonian is driven by a source operator. It is shown that this driven SRG (DSRG) produces a Hamiltonian flow that is analogous to that of the SRG. Compared to the SRG, which requires propagating a set of ordinary differential equations, the DSRG is computationally advantageous since it consists of a set of polynomial equations. The equilibrium distances, harmonic vibrational frequencies, and vibrational anharmonicities of a series of diatomic molecules computed with the SRG and DSRG approximated with one- and two-body normal ordered operators are in good agreement with benchmark values from coupled cluster with singles, doubles, and perturbative triples. Particularly surprising results are found when the SRG and DSRG methods are applied to C2 and F2. In the former case, both methods fail to converge, while in the latter case an unbound potential energy curve is obtained. A modified commutator approximation is shown to correct these problems in the case of the DSRG method.

Evangelista, Francesco A.

2014-08-01

122

NASA Astrophysics Data System (ADS)

We discuss a technique for solving the Landau-Zener (LZ) problem of finding the probability of excitation in a two-level system. The idea of time reversal for the Schrödinger equation is employed to obtain the state reached at the final time and hence the excitation probability. Using this method, which can reproduce the well-known expression for the LZ transition probability, we solve a variant of the LZ problem, which involves waiting at the minimum gap for a time tw ; we find an exact expression for the excitation probability as a function of tw . We provide numerical results to support our analytical expressions. We then discuss the problem of waiting at the quantum critical point of a many-body system and calculate the residual energy generated by the time-dependent Hamiltonian. Finally, we discuss possible experimental realizations of this work.

Divakaran, Uma; Dutta, Amit; Sen, Diptiman

2010-02-01

123

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.

124

Many-Body Physics: Collective fermionic excitations in quark-gluon plasmas and cold atom systems

In this talk I discuss collective excitations that carry fermion quantum numbers. Such excitations occur in the quark-gluon plasma and can also be produced in cold atom systems under special conditions.

Blaizot, Jean-Paul

2014-01-01

125

Many-Body Physics: Collective fermionic excitations in quark-gluon plasmas and cold atom systems

In this talk I discuss collective excitations that carry fermion quantum numbers. Such excitations occur in the quark-gluon plasma and can also be produced in cold atom systems under special conditions.

Jean-Paul Blaizot

2014-05-13

126

We address the question to what extent the centre-of-mass (COM) separation can change our view of the many-body problem in quantum chemistry and solid state physics. It was shown that the many-body treatment based on the electron-vibrational Hamiltonian is fundamentally inconsistent with the Born-Handy ansatz so that such a treatment can never respect the COM problem. Born-Oppenheimer (B-O) approximation reveals

Michal Svrcek

2010-01-01

127

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

128

We present experimental coherent two-dimensional Fourier-transform spectra of Wannier exciton resonances in semiconductor quantum wells generated by a pulse sequence that isolates two-quantum coherences. By measuring the real part of the signals, we determine that the spectra are dominated by two-quantum coherences due to mean-field many-body interactions, rather than bound biexcitons. Simulations performed using dynamics controlled truncation agree with the experiments. PMID:20366499

Karaiskaj, Denis; Bristow, Alan D; Yang, Lijun; Dai, Xingcan; Mirin, Richard P; Mukamel, Shaul; Cundiff, Steven T

2010-03-19

129

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

130

Physics 832: Quantum Many-Body Physics Fall 2011 Lecture: TuTh 2:00Â3:15 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.

131

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.

132

by a pulse sequence that isolates two-quantum coherences. By measuring the real part of the signals, we. A hallmark of many-body interactions has been the appearance of a signal for negative delay in two-pulse TFWM experiment. In TFWM, the sample is excited by two pulses, E1Ã°t Ã¾ Ã? and E2Ã°tÃ? with wave vectors k1

Mukamel, Shaul

133

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

134

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

135

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

136

a Solvable Model of Interacting Many Body Systems Exhibiting a Breakdown of the Boltzmann Equation

NASA Astrophysics Data System (ADS)

In a particular exactly solvable model of an interacting system, the Boltzmann equation predicts a constant single particle density operator, whereas the exact solution gives a single particle density operator with a nontrivial time dependence. All of the time dependence of the single particle density operator is generated by the correlations.

McKellar, B. H. J.

2014-12-01

137

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

138

Description of pairing correlation in many-body finite systems with density functional theory

Different steps leading to the new functional for pairing based on natural orbitals and occupancies proposed earlier [D. Lacroix and G. Hupin, Phys. Rev. B 82, 144509 (2010)] are carefully analyzed. Properties of quasiparticle states projected onto good particle numbers are first reviewed. These properties are used to (i) prove the existence of such a functional, (ii) provide an explicit functional through a 1/N expansion starting from the BCS approach, and (iii) give a compact form of the functional summing up all orders in the expansion. The functional is benchmarked in the case of the picket-fence pairing Hamiltonian where even and odd systems are studied, using the blocking technique, at various particle numbers and coupling strengths, with uniform and random single-particle level spacing. In all cases, very good agreement is found, with a deviation of <1% compared to the exact energy.

Hupin, Guillaume; Lacroix, Denis [Grand Accelerateur National d'Ions Lourds (GANIL), CEA/DSM-CNRS/IN2P3, Bvd Henri Becquerel, 14076 Caen (France)

2011-02-15

139

A terahertz quantum cascade laser, operating at lambda=159 mum and exploiting the in-plane confinement arising from perpendicular magnetic field, is used to investigate the physics of electrons confined on excited subbands in the regime of a large ratio of the magnetic field confinement energy to the photon energy. As the magnetic field is increased above about 6T, and the temperature

Giacomo Scalari; Stéphane Blaser; Jérôme Faist; Harvey Beere; Edmund Linfield; David Ritchie; Giles Davies

2004-01-01

140

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

141

NASA Astrophysics Data System (ADS)

Low-dimensional, many-body systems are often characterized by ultraslow dynamics. We study a labelled particle in a generic system of identical particles with hard-core interactions in a strongly disordered environment. The disorder is manifested through intermittent motion with scale-free sticking times at the single particle level. While for a non-interacting particle we find anomalous diffusion of the power-law form < {{x}2}(t)> ? {{t}? } of the mean squared displacement with 0\\lt ? \\lt 1, we demonstrate here that the combination of the disordered environment with the many-body interactions leads to an ultraslow, logarithmic dynamics < {{x}2}(t)> ? {{log }1/2}t with a universal 1/2 exponent. Even when a characteristic sticking time exists but the fluctuations of sticking times diverge we observe the mean squared displacement < {{x}2}(t)> ? {{t}? } with 0\\lt ? \\lt 1/2, that is slower than the famed Harris law < {{x}2}(t)> ? {{t}1/2} without disorder. We rationalize the results in terms of a subordination to a counting process, in which each transition is dominated by the forward waiting time of an ageing continuous time process.

Sanders, Lloyd P.; Lomholt, Michael A.; Lizana, Ludvig; Fogelmark, Karl; Metzler, Ralf; Ambjörnsson, Tobias

2014-11-01

142

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

143

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).]. 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.; Daley, A. J.; Zoller, P. [Institute for Quantum Optics and Quantum Information, Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Institute for Theoretical Physics, University of Innsbruck, A-6020 Innsbruck (Austria); Baranov, M. [Institute for Quantum Optics and Quantum Information, Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Institute for Theoretical Physics, University of Innsbruck, A-6020 Innsbruck (Austria); RRC 'Kurchatov Institute', Kurchatov Square 1, 123182 Moscow (Russian Federation)

2010-08-01

144

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

145

Studies have shown that many-body interactions among semiconductor excitons can produce distinct features in two-dimensional optical spectra. However, to the best of our knowledge, the dynamics of many-body interactions ...

Turner, Daniel B.

146

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

147

V OLUME 78, Â¡ NUMBER 7 Â¡ P H Y SIC A L R EVIE W LETTE RS 17 FEBRUARY 1997 Planar Â¢ Curve many-body systems of arbitrary dimensionality by planar curves.Â¨ The positions and momenta- logical applications: solidification processes, shock waves, kinematics ! of polymers, and motion of line

Blumenfeld, Rafi

148

High-accuracy calculations of term energies and wavelengths of resonance lines in Zn-like ions have been performed as benchmarks in the quest for accurate theoretical treatments of relativity, electron correlation, and quantum electrodynamic effects in multivalence-electron systems. Computed wavelengths of the 4s2S01-4s4pP1o1 transitions are compared with the recent high-resolution wavelength measurements using electron-beam ion traps [E. Träbert, P. Beiersdorfer, and H.

Marius J. Vilkas; Yasuyuki Ishikawa

2005-01-01

149

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

150

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.

151

An environment interacting with portions of a system leads to multiexponential interaction rates. Within the Keldysh formalism, we fictitiously homogenize the system-environment interaction yielding a uniform decay rate facilitating the evaluation of the propagators. Through an injection procedure we neutralize the fictitious interactions. This technique justifies a stroboscopic representation of the system-environment interaction which is useful for numerical implementation and

Gonzalo A. Álvarez; Ernesto P. Danieli; Patricia R. Levstein; Horacio M. Pastawski

2007-01-01

152

An environment interacting with portions of a system leads to\\u000amultiexponential interaction rates. Within the Keldysh formalism, we\\u000afictitiously homogenize the system-environment interaction yielding a uniform\\u000adecay rate facilitating the evaluation of the propagators. Through an injection\\u000aprocedure we neutralize the fictitious interactions. This technique justifies a\\u000astroboscopic representation of the system-environment interaction which is\\u000auseful for numerical implementation and

Gonzalo A. ´; Ernesto P. Danieli; Patricia R. Levstein; Horacio M. Pastawski

2007-01-01

153

An environment interacting with portions of a system leads to multiexponential interaction rates. Within the Keldysh formalism, we fictitiously homogenize the system-environment interaction yielding a uniform decay rate facilitating the evaluation of the propagators. Through an injection procedure we neutralize the fictitious interactions. This technique justifies a stroboscopic representation of the system-environment interaction which is useful for numerical implementation and converges to the natural continuous process. We apply this procedure to a fermionic two-level system and use the Jordan-Wigner transformation to solve a two-spin swapping gate in the presence of a spin environment.

Gonzalo A. Alvarez; Ernesto P. Danieli; Patricia R. Levstein; Horacio M. Pastawski

2007-07-12

154

Thermalization in Quantum Systems

atom system Not only of academic interest. Open questions in closed system quantum dynamics: i of equilibrated states. iv. Definition for "quantum integrability". v. Many-body localization... vi. Open systems. Localization and absence of ETH. 3 #12;Quantum Thermalization 4 #12;System THERMAL BATH () Quantum

155

Many body topics in condensed matter physics

NASA Astrophysics Data System (ADS)

Two different problems involving many-body systems are presented. A hydrodynamic version of the Calogero system of one-dimensional particles interacting on the line is derived using a classical field formalism, and the results are contrasted to a derivation starting from first quantum mechanical principles. This new classical approach is shown to help in understanding subtleties occurring in the latter, such as the conditions for chiral motion, the decomposition of the Hamiltonian in terms of chiral currents and the nature of the physical velocity and density operators. Explicit collective solitonic excitations in the linear and non-linear limits are also presented. Additionally, we overview the possibility of expanding this formalism to the study of the Fractional Quantum Hall Effect. The second problem involves a simple two-dimensional model of a px + ipy superfluid in which the mass flow that gives rise to the intrinsic angular momentum is easily calculated by numerical diagonalization of the Bogoliubovde Gennes operator. The results confirm theoretical predictions such as the Thomas-Fermi approximation and the Ishikawa formula, in which the mass flow at zero-temperature and for a constant director l follows jmass = ½curl(rhohl/2).

Anduaga, Inaki Pablo

156

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

157

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

NASA Astrophysics Data System (ADS)

We classify effective actions for Nambu-Goldstone (NG) bosons assuming the absence of anomalies. Special attention is paid to Lagrangians that are invariant only up to a surface term, which are shown to be in a one-to-one correspondence with Chern-Simons (CS) theories for unbroken symmetry. Without making specific assumptions on the 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 levels. The order-one CS term is responsible for the noninvariance of the 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.

Brauner, Tomáš; Moroz, Sergej

2014-12-01

158

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

159

NASA Astrophysics Data System (ADS)

This dissertation presents the study of controllable but strong long-range interaction between dipoles. In particular, we investigate the excitation and interaction between atoms in a cold gas where the collisional time is much greater than the interaction time between neighboring Rydberg atoms. In addition to quantum systems, we also examine the excitation properties of a collection of classical electric dipoles created by optically driving metallic nanospheres. We use various theoretical techniques to simulate these systems, including the direct numerical solutions to Schrodinger's equation, a Monte Carlo method, and a simple coupled point-dipole model. We first perform simulations involving the excitation of a collection of cold atoms to Rydberg states. When the interaction energy between excited atoms is large enough to shift multiply-excited states out of resonance with the tightly tuned excitation laser, the number of atoms able to be excited is suppressed, creating a dipole blockade effect. The blockade effect offers exciting possibilities in the control of quantum bits, which is crucial for the development of quantum computing. We also examined the effects of density variation with respect to the the dipole blockade with three different models. We then simulate the coherent interactions between Rydberg atoms. If the atoms are excited into states where the dipole-dipole interaction between them allows for resonant energy transfer to occur, then one state can freely hop from one atom to the next via the dipole-dipole interaction. We generated band structures for one, two, and three dimensional lattices and characterized the nature of the coherent hopping. This hopping is also studied in both a perfect and non-perfect lattice case which should be possible to examine experimentally. Next, we simulate the effect of special excitation pulses on a cold gas of atoms. First a rotary echo sequence is used to examine the coherent nature of a frozen Rydberg gas. If collective excitation and de-excitation is present with little or no source of dephasing, after these pulses the system should be returned to a state with few excitations, and a strong echo signal should occur. We investigate systems that should display a perfect echo and systems where the interaction between atoms reduces the echo signal. A spin echo sequence is also used on a system of coherent hopping excitations, and we simulate how the strength of a spin echo signal is affected by thermal motion. Finally, we describe the dipole-dipole interactions between a linear array of optically driven metallic nanospheres. These classical model calculations incorporate the full electric field generated by an oscillating electric dipole. The effects due to retardation of the generated electric field must be taken into account and several interesting effects are explored such as the ability to preferentially excite specific nanospheres.

Hernandez, Jesus V.

160

Many-body wave function in a dipole blockade configuration

We report the results of simulations of the many atom wave function when a cold gas is excited to highly excited states. We simulated the many body wave function by direct numerical solution of Schroedinger's equation. We investigated the fraction of atoms excited and the correlation of excited atoms in the gas for different types of excitation when the blockade region was small compared to the sample size. We also investigated the blockade effect when the blockade region is comparable to the sample size to determine the sensitivity of this system and constraints for quantum information.

Robicheaux, F.; Hernandez, J. V. [Department of Physics, Auburn University, Alabama 36849-5311 (United States)

2005-12-15

161

Exploring many-body physics with ultracold atoms

NASA Astrophysics Data System (ADS)

The emergence of many-body physical phenomena from the quantum mechanical properties of atoms can be studied using ultracold alkali gases. The ability to manipulate both Bose-Einstein condensates (BECs) and degenerate Fermi gases (DFGs) with designer potential energy landscapes, variable interaction strengths and out-of-equilibrium initial conditions provides the opportunity to investigate collective behaviour under diverse conditions. With an appropriately chosen wavelength, optical standing waves provide a lattice potential for one target species while ignoring another spectator species. A "tune-in" scheme provides an especially strong potential for the target and works best for Li-Na, Li-K, and K-Na mixtures, while a "tune-out" scheme zeros the potential for the spectator, and is preferred for Li-Cs, K-Rb, Rb-Cs, K-Cs, and 39K-40K mixtures. Species-selective lattices provide unique environments for studying many-body behaviour by allowing for a phonon-like background, providing for effective mass tuning, and presenting opportunities for increasing the phase-space density of one species. Ferromagnetism is manifest in a two-component DFG when the energetically preferred many-body configuration segregates components. Within the local density approximation (LDA), the characteristic energies and the three-body loss rate of the system all give an observable signature of the crossover to this ferromagnetic state in a trapped DFG when interactions are increased beyond kFa(0) = 1:84. Numerical simulations of an extension to the LDA that account for magnetization gradients show that a hedgehog spin texture emerges as the lowest energy configuration in the ferromagnetic regime. Explorations of strong interactions in 40K constitute the first steps towards the realization of ferromagnetism in a trapped 40K gas. The many-body dynamics of a 87Rb BEC in a double well potential are driven by spatial phase gradients and depend on the character of the junction. The amplitude and frequency characteristics of the transport across a tunable barrier show a crossover between two paradigms of super uidity: Josephson plasma oscillations emerge for high barriers, where transport is via tunnelling, while hydrodynamic behaviour dominates for lower barriers. The phase dependence of the many-body dynamics is also evident in the observation of macroscopic quantum self trapping. Gross-Pitaevskii calculations facilitate the interpretation of system dynamics, but do not describe the observed damping.

LeBlanc, Lindsay Jane

162

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

163

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

164

This work explores a new charge-dependent energy model consisting of van der Waals and polarization interactions between the quantum mechanical (QM) and molecular mechanical (MM) regions in a combined QM\\/MM calculation. van der Waals interactions are commonly treated using empirical Lennard-Jones potentials, whose parameters are often chosen based on the QM atom type (e.g., based on hybridization or specific covalent

Timothy J. Giese; Darrin M. York

2007-01-01

165

Factorization in large-scale many-body calculations

NASA Astrophysics Data System (ADS)

One approach for solving interacting many-fermion systems is the configuration-interaction method, also sometimes called the interacting shell model, where one finds eigenvalues of the Hamiltonian in a many-body basis of Slater determinants (antisymmetrized products of single-particle wavefunctions). The resulting Hamiltonian matrix is typically very sparse, but for large systems the nonzero matrix elements can nonetheless require terabytes or more of storage. An alternate algorithm, applicable to a broad class of systems with symmetry, in our case rotational invariance, is to exactly factorize both the basis and the interaction using additive/multiplicative quantum numbers; such an algorithm recreates the many-body matrix elements on the fly and can reduce the storage requirements by an order of magnitude or more. We discuss factorization in general and introduce a novel, generalized factorization method, essentially a ‘double-factorization’ which speeds up basis generation and set-up of required arrays. Although we emphasize techniques, we also place factorization in the context of a specific (unpublished) configuration-interaction code, BIGSTICK, which runs both on serial and parallel machines, and discuss the savings in memory due to factorization.

Johnson, Calvin W.; Ormand, W. Erich; Krastev, Plamen G.

2013-12-01

166

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

167

Few-Body Physics in a Many-Body World

NASA Astrophysics Data System (ADS)

The study of quantum mechanical few-body systems is a century old pursuit relevant to countless subfields of physics. While the two-body problem is generally considered to be well-understood theoretically and numerically, venturing to three or more bodies brings about complications but also a host of interesting phenomena. In recent years, the cooling and trapping of atoms and molecules has shown great promise to provide a highly controllable environment to study few-body physics. However, as is true for many systems where few-body effects play an important role the few-body states are not isolated from their many-body environment. An interesting question then becomes if or (more precisely) when we should consider few-body states as effectively isolated and when we have to take the coupling to the environment into account. Using some simple, yet non-trivial, examples I will try to suggest possible approaches to this line of research.

Zinner, Nikolaj Thomas

2014-08-01

168

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

169

NASA Astrophysics Data System (ADS)

We present a revised version of the water many-body model TCPE [M. Masella and J.-P. Flament, J. Chem. Phys. 107, 9105 (1997)], which is based on a static three charge sites and a single polarizable site to model the molecular electrostatic properties of water, and on an anisotropic short range many-body energy term specially designed to accurately model hydrogen bonding in water. The parameters of the revised model, denoted TCPE/2013, are here developed to reproduce the ab initio energetic and geometrical properties of small water clusters (up to hexamers) and the repulsive water interactions occurring in cation first hydration shells. The model parameters have also been refined to reproduce two liquid water properties at ambient conditions, the density and the vaporization enthalpy. Thanks to its computational efficiency, the new model range of applicability was validated by performing simulations of liquid water over a wide range of temperatures and pressures, as well as by investigating water liquid/vapor interfaces over a large range of temperatures. It is shown to reproduce several important water properties at an accurate enough level of precision, such as the existence liquid water density maxima up to a pressure of 1000 atm, the water boiling temperature, the properties of the water critical point (temperature, pressure, and density), and the existence of a "singularity" temperature at about 225 K in the supercooled regime. This model appears thus to be particularly well-suited for characterizing ion hydration properties under different temperature and pressure conditions, as well as in different phases and interfaces.

Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel

2013-09-01

170

We present a revised version of the water many-body model TCPE [M. Masella and J.-P. Flament, J. Chem. Phys. 107, 9105 (1997)], which is based on a static three charge sites and a single polarizable site to model the molecular electrostatic properties of water, and on an anisotropic short range many-body energy term specially designed to accurately model hydrogen bonding in water. The parameters of the revised model, denoted TCPE/2013, are here developed to reproduce the ab initio energetic and geometrical properties of small water clusters (up to hexamers) and the repulsive water interactions occurring in cation first hydration shells. The model parameters have also been refined to reproduce two liquid water properties at ambient conditions, the density and the vaporization enthalpy. Thanks to its computational efficiency, the new model range of applicability was validated by performing simulations of liquid water over a wide range of temperatures and pressures, as well as by investigating water liquid/vapor interfaces over a large range of temperatures. It is shown to reproduce several important water properties at an accurate enough level of precision, such as the existence liquid water density maxima up to a pressure of 1000 atm, the water boiling temperature, the properties of the water critical point (temperature, pressure, and density), and the existence of a "singularity" temperature at about 225 K in the supercooled regime. This model appears thus to be particularly well-suited for characterizing ion hydration properties under different temperature and pressure conditions, as well as in different phases and interfaces. PMID:24070292

Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel

2013-09-21

171

Local conservation laws and the structure of the many-body localized states.

We construct a complete set of local integrals of motion that characterize the many-body localized (MBL) phase. Our approach relies on the assumption that local perturbations act locally on the eigenstates in the MBL phase, which is supported by numerical simulations of the random-field XXZ spin chain. We describe the structure of the eigenstates in the MBL phase and discuss the implications of local conservation laws for its nonequilibrium quantum dynamics. We argue that the many-body localization can be used to protect coherence in the system by suppressing relaxation between eigenstates with different local integrals of motion. PMID:24093294

Serbyn, Maksym; Papi?, Z; Abanin, Dmitry A

2013-09-20

172

Many body population trapping in ultracold dipolar gases

NASA Astrophysics Data System (ADS)

A system of interacting dipoles is of paramount importance for understanding many-body physics. The interaction between dipoles is anisotropic and long-range. While the former allows one to observe rich effects due to different geometries of the system, long-range (1/{{r}^{3}}) interactions lead to strong correlations between dipoles and frustration. In effect, interacting dipoles in a lattice form a paradigmatic system with strong correlations and exotic properties with possible applications in quantum information technologies, and as quantum simulators of condensed matter physics, material science, etc. Notably, such a system is extremely difficult to model due to a proliferation of interaction induced multi-band excitations for sufficiently strong dipole-dipole interactions. In this article we develop a consistent theoretical model of interacting polar molecules in a lattice by applying the concepts and ideas of ionization theory which allows us to include highly excited Bloch bands. Additionally, by involving concepts from quantum optics (population trapping), we show that one can induce frustration and engineer exotic states, such as Majumdar-Ghosh state, or vector-chiral states in such a system.

Dutta, Omjyoti; Lewenstein, Maciej; Zakrzewski, Jakub

2014-05-01

173

Non equilibrium dissipation-driven steady many-body entanglement

We study an ensemble of two-level quantum systems (qubits) interacting with a common electromagnetic field in proximity of a dielectric slab whose temperature is held different from that of some far surrounding walls. We show that the dissipative dynamics of the qubits driven by this stationary and out of thermal equilibrium (OTE) field, allows the production of steady many-body entangled states, differently from the case at thermal equilibrium where steady states are always non-entangled. By studying up to ten qubits, we point out the role of symmetry in the entanglement production, which is exalted in the case of permutationally invariant configurations. In the case of three qubits, we find a strong dependence of tripartite entanglement on the spatial disposition of the qubits, and in the case of six qubits, we find several highly entangled bipartitions where entanglement can, remarkably, survive for large qubit-qubit distances up to 100 $\\mu$m.

Bruno Bellomo; Mauro Antezza

2014-09-25

174

High precision framework for chaos many-body engine

NASA Astrophysics Data System (ADS)

In this paper we present a C# 4.0 high precision framework for simulation of relativistic many-body systems. In order to benefit from the, previously developed, chaos analysis instruments, all new modules were integrated with Chaos Many-Body Engine (Grossu et al. 2010, 2013). 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.

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

2014-04-01

175

Many-body applications of the stochastic limit: a review

We review some applications of the perturbative technique known as the {\\em stochastic limit approach} to the analysis of the following many-body problems: the fractional quantum Hall effect, the relations between the Hepp-Lieb and the Alli-Sewell models (as possible models of interaction between matter and radiation), and the open BCS model of low temperature superconductivity.

F. Bagarello

2009-04-01

176

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

The investigation of nonequilibrium dynamics in interacting quantum many-body systems has emerged as a key approach to characterize the nature of quantum states, to study excitation spectra, and to shed light on thermalization processes. So far, research on nonequilibrium dynamics has focused on many-body quantum states of bosonic particles, leading to the observation of coherent quench dynamics and the exploration of relaxation and thermalization in isolated quantum systems. Here we report on the observation of coherent quench dynamics in a many-body quantum state of fermionic particles. In the experiment, we prepare a metallic state of ultracold spin-polarized fermionic atoms in a shallow three-dimensional (3D) optical lattice. The delocalized fermions are in contact with a Bose-Einstein condensate (BEC) that is simultaneously loaded into the lattice. With a rapid increase of lattice depth, we take the system out of equilibrium and induce quench dynamics that is driven by the interactions between fermions and bosons. We observe the time evolution of the fermionic momentum distribution, which shows long-lived coherent oscillations for up to ten periods, both for attractive and repulsive Fermi-Bose interactions. A theoretical model reveals that the dynamics arises as a consequence of the delocalized nature of the initial fermionic state and the on-site number fluctuations of the BEC. Our work demonstrates that coherent quench dynamics constitutes a powerful technique to gain insight into the nature of fermionic quantum many-body states and to accurately determine Hamiltonian parameters used in their microscopic description.

Sebastian Will; Deepak Iyer; Marcos Rigol

2014-06-10

177

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

178

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

179

Many-body singlets by dynamic spin polarization

We show that dynamic spin polarization by collective raising and lowering operators can drive a spin ensemble from arbitrary initial state to many-body singlets, the zero-collective-spin states with large scale entanglement. For an ensemble of $N$ arbitrary spins, both the variance of the collective spin and the number of unentangled spins can be reduced to O(1) (versus the typical value of O(N)), and many-body singlets can be occupied with a population of $\\sim 20 %$ independent of the ensemble size. We implement this approach in a mesoscopic ensemble of nuclear spins through dynamic nuclear spin polarization by an electron. The result is of two-fold significance for spin quantum technology: (1) a resource of entanglement for nuclear spin based quantum information processing; (2) a cleaner surrounding and less quantum noise for the electron spin as the environmental spin moments are effectively annihilated.

Wang Yao

2011-01-20

180

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

181

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

182

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

183

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. PMID:25053309

Freed, Karl F

2014-07-21

184

NASA Astrophysics Data System (ADS)

A response function theory and scattering theory applicable to the study of physical properties of systems driven arbitrarily far removed from equilibrium, specialized for dealing with ultrafast processes, and in conditions of space resolution (including the nanometric scale) are presented. The derivation is done in the framework of a Gibbs-style nonequilibrium statistical ensemble formalism. The observable properties are shown to be connected with time- and space-dependent correlation functions out of equilibrium. A generalized fluctuation-dissipation theorem, which relates these correlation functions with generalized susceptibilities, is derived. The method of nonequilibrium-thermodynamic Green functions, which proves useful for calculations, is also presented. Two illustrative applications of the formalism, which study optical responses in ultrafast laser spectroscopy and Raman scattering of electrons in III-N semiconductors (of "blue diodes") driven away from equilibrium by electric fields of moderate to high intensities, are described.

Rodrigues, Clóves G.; Vasconcellos, Áurea R.; Ramos, J. Galvão; Luzzi, Roberto

2015-02-01

185

NASA Astrophysics Data System (ADS)

Using the finite simulation-cell homogeneous electron gas (HEG) as a model, we investigate the convergence of the correlation energy to the complete-basis-set (CBS) limit in methods utilizing plane-wave wave-function expansions. Simple analytic and numerical results from second-order Møller-Plesset theory (MP2) suggest a 1/M decay of the basis-set incompleteness error where M is the number of plane waves used in the calculation, allowing for straightforward extrapolation to the CBS limit. As we shall show, the choice of basis-set truncation when constructing many-electron wave functions is far from obvious, and here we propose several alternatives based on the momentum transfer vector, which greatly improve the rate of convergence. This is demonstrated for a variety of wave-function methods, from MP2 to coupled-cluster doubles theory and the random-phase approximation plus second-order screened exchange. Finite basis-set energies are presented for these methods and compared with exact benchmarks. A transformation can map the orbitals of a general solid state system onto the HEG plane-wave basis and thereby allow application of these methods to more realistic physical problems. We demonstrate this explicitly for solid and molecular lithium hydride.

Shepherd, James J.; Grüneis, Andreas; Booth, George H.; Kresse, Georg; Alavi, Ali

2012-07-01

186

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

187

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

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. PMID:25625799

Will, Sebastian; Iyer, Deepak; Rigol, Marcos

2015-01-01

188

Superadiabatic Forces in Brownian Many-Body Dynamics

NASA Astrophysics Data System (ADS)

Theoretical approaches to nonequilibrium many-body dynamics generally rest upon an adiabatic assumption, whereby the true dynamics is represented as a sequence of equilibrium states. Going beyond this simple approximation is a notoriously difficult problem. For the case of classical Brownian many-body dynamics, we present a simulation method that allows us to isolate and precisely evaluate superadiabatic correlations and the resulting forces. Application of the method to a system of one-dimensional hard particles reveals the importance for the dynamics, as well as the complexity, of these nontrivial out-of-equilibrium contributions. Our findings help clarify the status of dynamical density functional theory and provide a rational basis for the development of improved theories.

Fortini, Andrea; de las Heras, Daniel; Brader, Joseph M.; Schmidt, Matthias

2014-10-01

189

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

190

Influence of many-body interactions during the ionization of gases by short intense optical pulses.

The excitation of atomic gases by short high-intensity optical pulses leads to significant electron ionization. In dilute systems, the generated distribution of ionized electrons is highly anisotropic, reflecting the quantum mechanical properties of the atomic states involved in the many photon transitions. For higher atomic densities, the Coulomb interaction in the electron-ion system leads to the development of an isotropic electron plasma. To study the ionization process in the presence of the many-body interaction, a fully microscopic model is developed that combines a generalized version of the optical Bloch equations describing the optical excitation with a microscopic description of the many-body interactions. The numerical evaluation shows that the Coulomb interaction significantly modifies the distribution anisotropy already during the excitation process. Whereas a reduced anisotropy is still present after the pulse for low ionization degrees and pressures, it is completely absent for elevated gas densities. An ionization degree is predicted that is significantly enhanced by the many-body interactions. PMID:24730952

Schuh, K; Hader, J; Moloney, J V; Koch, S W

2014-03-01

191

Influence of many-body interactions during the ionization of gases by short intense optical pulses

NASA Astrophysics Data System (ADS)

The excitation of atomic gases by short high-intensity optical pulses leads to significant electron ionization. In dilute systems, the generated distribution of ionized electrons is highly anisotropic, reflecting the quantum mechanical properties of the atomic states involved in the many photon transitions. For higher atomic densities, the Coulomb interaction in the electron-ion system leads to the development of an isotropic electron plasma. To study the ionization process in the presence of the many-body interaction, a fully microscopic model is developed that combines a generalized version of the optical Bloch equations describing the optical excitation with a microscopic description of the many-body interactions. The numerical evaluation shows that the Coulomb interaction significantly modifies the distribution anisotropy already during the excitation process. Whereas a reduced anisotropy is still present after the pulse for low ionization degrees and pressures, it is completely absent for elevated gas densities. An ionization degree is predicted that is significantly enhanced by the many-body interactions.

Schuh, K.; Hader, J.; Moloney, J. V.; Koch, S. W.

2014-03-01

192

Role of many-body entanglement in decoherence processes

A pure state decoheres into a mixed state as it entangles with an environment. When an entangled two-mode system is embedded in a thermal environment, however, each mode may not be entangled with its environment by their simple linear interaction. We consider an exactly solvable model to study the dynamics of a total system, which is composed of an entangled two-mode system and a thermal environment, and also an array of infinite beam splitters. It is shown that many-body entanglement of the system and the environment plays a crucial role in the process of disentangling the system.

Helen McAneney; Jinhyoung Lee; M. S. Kim

2002-10-16

193

Many-body effects for critical Casimir forces

Within mean-field theory we calculate the scaling functions associated with critical Casimir forces for a system consisting of two spherical colloids immersed in a binary liquid mixture near its consolute point and facing a planar, homogeneous substrate. For several geometrical arrangements and boundary conditions we analyze the normal and the lateral critical Casimir forces acting on one of the two colloids. We find interesting features such as a change of sign of these forces upon varying either the position of one of the colloids or the temperature. By subtracting the pairwise forces from the total force we are able to determine the many-body forces acting on one of the colloids. We have found that the many-body contribution to the total critical Casimir force is more pronounced for small colloid-colloid and colloid-substrate distances, as well as for temperatures close to criticality, where the many-body contribution to the total force can reach up to 25%.

T. G. Mattos; L. Harnau; S. Dietrich

2013-01-28

194

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

195

First-principles many-body theory for ultra-cold atoms

Recent breakthroughs in the creation of ultra-cold atoms in the laboratory have ushered in unprecedented changes in physical science. These enormous changes in the coldest temperatures available in the laboratory mean that many novel experiments are possible. There is unprecedented control and simplicity in these novel systems, meaning that quantum many-body theory is now facing severe challenges in quantitatively understanding these new results. We discuss some of the new experiments and recently developed theoretical techniques required to predict the results obtained.

Drummond, Peter D.; Hu Hui; Liu Xiaji [ARC Centre of Excellence for Quantum-Atom Optics, Centre for Atom Optics and Ultrafast Spectroscopy, Swinburne University of Technology, Melbourne 3122 (Australia)

2010-06-15

196

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

197

Decoherent many-body dynamics of a nano- mechanical resonator coupled to charge qubits

The dynamics of charge qubits coupled to a nanomechanical resonator under influence of both a phonon bath in contact with the resonator and irreversible decay of the qubits is considered. The focus of our analysis is devoted to multi partite entanglement and the effects arising from the coupling to the reservoir. It is shown that despite losses, entanglement formation may still persist for relatively long times and it is especially robust against temperature dependence of the reservoir. Together with control of system parameters, the system may therefore be especially suited for quantum information processing. Furthermore, our results shed light on the evolution of open quantum many-body systems. For instance, due to intrinsic qubit-qubit couplings our model is related to a driven XY spin model.

Mahmoud Abdel-Aty; J. Larson; H. Eleuch

2010-03-14

198

Decoherent many-body dynamics of a nano- mechanical resonator coupled to charge qubits

The dynamics of charge qubits coupled to a nanomechanical resonator under influence of both a phonon bath in contact with the resonator and irreversible decay of the qubits is considered. The focus of our analysis is devoted to multi partite entanglement and the effects arising from the coupling to the reservoir. It is shown that despite losses, entanglement formation may still persist for relatively long times and it is especially robust against temperature dependence of the reservoir. Together with control of system parameters, the system may therefore be especially suited for quantum information processing. Furthermore, our results shed light on the evolution of open quantum many-body systems. For instance, due to intrinsic qubit-qubit couplings our model is related to a driven XY spin model.

Abdel-Aty, Mahmoud; Eleuch, H

2010-01-01

199

Charge optimized many-body potential for aluminum

NASA Astrophysics Data System (ADS)

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 < {12\\bar{{1}}}> 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.

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

2015-01-01

200

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

201

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

202

Density of States of Quantum Spin Systems from Isotropic Entanglement

We propose a method that we call isotropic entanglement (IE), which predicts the eigenvalue distribution of quantum many body (spin) systems with generic interactions. We interpolate between two known approximations by ...

Movassagh, Ramis

203

Many-body Landau-Zener Transition in Cold Atom Double Well Optical Lattices

NASA Astrophysics Data System (ADS)

Ultra-cold atoms in optical lattices provide an ideal platform for exploring many-body physics of a large system arising from the coupling among a series of small identical systems whose few-body dynamics are exactly solvable. Using Landau-Zener (LZ) transition of bosonic atoms in double well optical lattices as an experimentally realizable model, we investigate such few to many body route by exploring the relation and difference between the small few-body (in one double well) and the large many-body (in double well lattice) non-equilibrium dynamics of cold atoms in optical lattices. We find the many-body coupling between double wells greatly enhances the LZ transition probability, while keeping the main features of the few-body dynamics. Various experimental signatures of the many-body LZ transition, including atom density, momentum distribution, and density-density correlation, are obtained.

Qian, Yinyin; Gong, Ming; Zhang, Chuanwei

2012-10-01

204

Many-body Landau-Zener Transition in Cold Atom Double Well Optical Lattices

NASA Astrophysics Data System (ADS)

Ultra-cold atoms in optical lattices provide an ideal platform for exploring many-body physics of a large system arising from the coupling among a series of small identical systems whose few-body dynamics are exactly solvable. Using Landau-Zener (LZ) transition of bosonic atoms in double well optical lattices as an experimentally realizable model, we investigate such few to many body route by exploring the relation and difference between the few-body (in one double well) and many-body (in double well lattice) non-equilibrium dynamics of cold atoms in optical lattices. We find the many-body coupling between double wells greatly enhances the LZ transition probability, while keeping the main features of the few-body dynamics. Various experimental signatures of the many-body LZ transition, including atom density, momentum distribution, and density-density correlation, are obtained.

Qian, Yinyin; Gong, Ming; Zhang, Chuanwei

2012-02-01

205

Photon-mediated interactions: a scalable tool to create and sustain entangled many-body states

Generation and sustenance of entangled many-body states is of fundamental and applied interest. Recent experimental progress in the stabilization of two-qubit Bell states in superconducting quantum circuits using an autonomous feedback scheme [S. Shankar et al., Nature 504, 419 (2013)] has demonstrated the effectiveness and robustness of driven-dissipative approaches, i.e. engineering a fine balance between driven-unitary and dissipative dynamics. Despite the remarkable theoretical and experimental progress in those approaches for superconducting circuits, no demonstrably scalable scheme exists to drive an arbitrary number of spatially separated qubits to a desired entangled quantum many-body state. Here we propose and study such a scalable scheme, based on engineering photon-mediated interactions, for driving a register of spatially separated qubits into multipartite entangled states. We demonstrate how generalized W-states can be generated with remarkable fidelities and the entanglement sustained for an indefinite time. The protocol is primarily discussed for a superconducting circuit architecture but is ideally realized in any platform that permits controllable delivery of coherent light to specified locations in a network of Cavity QED systems.

Camille Aron; Manas Kulkarni; Hakan E. Türeci

2014-12-29

206

BOSE-EINSTEIN CONDENSATION BEYOND MEAN FIELD: MANY-BODY BOUND STATE OF PERIODIC MICROSTRUCTURE

BOSE-EINSTEIN CONDENSATION BEYOND MEAN FIELD: MANY-BODY BOUND STATE OF PERIODIC MICROSTRUCTURE DIONISIOS MARGETIS Abstract. In Bose-Einstein condensation, integer-spin atoms (Bosons) occupy macroscopically a one-particle quantum state, called condensate. We study time-independent quantum fluctuations

Milchberg, Howard

207

Field-Theoretical Approach to Many-Body Perturbation Theory: Combining MBPT and QED

Abstract. Many-Body Perturbation Theory (MBPT) is today highly developed. The electron correlation, quantum-electrodynamics, heliumlike ions PACS: 10.11-z, 12.20-m, 30.15.Ar, 30.15.Md, 31.25-v Introduction quasi-degeneracy problems using the "extended model-space technique" [? ]. Quantum-electrodynamical (QED

Lindgren, Ingvar

208

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

209

Many-Body Perturbation Theory Lucia Reining, Fabien Bruneval

.6.2007 Many-Body Perturbation Theory Lucia Reining #12;Reminder PT EoM HF Screening Outline 1 Reminder 2 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 Lucia Reining #12;Reminder PT EoM

Botti, Silvana

210

Creating collective many-body states with highly excited atoms

The collective excitation of a gas of highly excited atoms confined to a large spacing ring lattice is studied, where the ground and the excited states are resonantly coupled via a laser field. Attention is focused on the regime where the interaction between the highly excited atoms is very weak in comparison to the Rabi frequency of the laser. In this case, the many-body excitations of the system can be expressed in terms of free spinless fermions. The complex many-particle states arising in this regime are characterized and their properties, for example their correlation functions, are studied. Additional investigation into how some of these many-particle states can actually be experimentally accessed by a temporal variation of the laser parameters is performed.

Olmos, B. [Instituto 'Carlos I' de Fisica Teorica y Computacional and Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, E-18071 Granada (Spain); Midlands Ultracold Atom Research Centre, School of Physics and Astronomy, University of Nottingham, Nottingham, NG7 2RD United Kingdom (United Kingdom); Gonzalez-Ferez, R. [Instituto 'Carlos I' de Fisica Teorica y Computacional and Departamento de Fisica Atomica, Molecular y Nuclear, Universidad de Granada, E-18071 Granada (Spain); Lesanovsky, I. [Midlands Ultracold Atom Research Centre, School of Physics and Astronomy, University of Nottingham, Nottingham, NG7 2RD United Kingdom (United Kingdom)

2010-02-15

211

Many-body Landau-Zener transition in cold-atom double-well optical lattices

NASA Astrophysics Data System (ADS)

Ultracold atoms in optical lattices provide an ideal platform for exploring many-body physics of a large system arising from the coupling among a series of small identical systems whose few-body dynamics is exactly solvable. Using Landau-Zener (LZ) transition of bosonic atoms in double-well optical lattices as an experimentally realizable model, we investigate such few- to many-body routes by exploring the relation and difference between the small few-body (in one double well) and the large many-body (in double-well lattice) nonequilibrium dynamics of cold atoms in optical lattices. We find the many-body coupling between double wells greatly enhances the LZ transition probability. The many-body dynamics in the double-well lattice shares both similarity and difference from the few-body dynamics in one and two double wells. The sign of the on-site interaction plays a significant role in the many-body LZ transition. Various experimental signatures of the many-body LZ transition, including atom density, momentum distribution, and density-density correlation, are obtained.

Qian, Yinyin; Gong, Ming; Zhang, Chuanwei

2013-01-01

212

Higher-order renormalization of graphene many-body theory

NASA Astrophysics Data System (ADS)

We study the many-body theory of graphene Dirac quasiparticles interacting via the long-range Coulomb potential, taking as a starting point the ladder approximation to different vertex functions. We test in this way the low-energy behavior of the electron system beyond the simple logarithmic dependence of electronic correlators on the high-energy cutoff, which is characteristic of the large- N approximation. We show that the graphene many-body theory is perfectly renormalizable in the ladder approximation, as all higher powers in the cutoff dependence can be absorbed into the redefinition of a finite number of parameters (namely, the Fermi velocity and the weight of the fields) that remain free of infrared divergences even at the charge neutrality point. We illustrate this fact in the case of the vertex for the current density, where a complete cancellation between the cutoff dependences of vertex and electron self-energy corrections becomes crucial for the preservation of the gauge invariance of the theory. The other potentially divergent vertex corresponds to the staggered (sublattice odd) charge density, which is made cutoff independent by a redefinition in the scale of the density operator. This allows to compute a well-defined, scale invariant anomalous dimension to all orders in the ladder series, which becomes singular at a value of the interaction strength marking the onset of chiral symmetry breaking (and gap opening) in the Dirac field theory. The critical coupling we obtain in this way matches with great accuracy the value found with a quite different method, based on the resolution of the gap equation, thus reassuring the predictability of our renormalization approach.

González, J.

2012-08-01

213

Many-Body Dynamics of Dipolar Molecules in an Optical Lattice

NASA Astrophysics Data System (ADS)

We use Ramsey spectroscopy to experimentally probe the quantum dynamics of disordered dipolar-interacting ultracold molecules in a partially filled optical lattice, and we compare the results to theory. We report the capability to control the dipolar interaction strength. We find excellent agreement between our measurements of the spin dynamics and theoretical calculations with no fitting parameters, including the dynamics' dependence on molecule number and on the dipolar interaction strength. This agreement verifies the microscopic model expected to govern the dynamics of dipolar molecules, even in this strongly correlated beyond-mean-field regime, and represents the first step towards using this system to explore many-body dynamics in regimes that are inaccessible to current theoretical techniques.

Hazzard, Kaden R. A.; Gadway, Bryce; Foss-Feig, Michael; Yan, Bo; Moses, Steven A.; Covey, Jacob P.; Yao, Norman Y.; Lukin, Mikhail D.; Ye, Jun; Jin, Deborah S.; Rey, Ana Maria

2014-11-01

214

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

215

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

216

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

217

Many-body matter-wave dark soliton.

The Gross-Pitaevskii equation--which describes interacting bosons in the mean-field approximation--possesses solitonic solutions in dimension one. For repulsively interacting particles, the stationary soliton is dark, i.e., is represented by a local density minimum. Many-body effects may lead to filling of the dark soliton. Using quasiexact many-body simulations, we show that, in single realizations, the soliton appears totally dark although the single particle density tends to be uniform. PMID:24580420

Delande, Dominique; Sacha, Krzysztof

2014-01-31

218

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

219

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

220

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

221

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

222

We study the quantum many-body dynamics in the entropy production of $N=10$ interacting identical bosons in an external harmonic trap. We use the multiconfigurational time-dependent Hartree for bosons or MCTDHB, an essentially exact many-body theory, for the solution of the time-dependent Schr\\"odinger equation. We introduce new and genuinely many-body measures for the entropy production that relate to the time-dependent many-body basis set used in MCTDHB. With these measures, we demonstrate the transition from regular or quasi-periodic to irregular or chaotic dynamics in the time-evolution of quantum information (Shannon) entropy, number of principal basis components and inverse participation ratio for various repulsive interaction strengths on a many-body level. The many-body Shannon information entropy approaches the value of $\\ln(0.48 D)$, where $D$ is the number of time-dependent many-body states employed in the MCTDHB computations for larger interaction strength, as predicted by the Gaussian orthogonal ensemble (GOE) of random matrices. This is a clear signature of statistical relaxation, here demonstrated for the first time with a genuine many-body entropy measure. We find a fundamental connection between the production of entropy, the build-up of correlations and the loss of coherence.

A. U. J. Lode; B. Chakrabarti; V. K. B. Kota

2015-01-12

223

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

224

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

225

Many-body characterization of topological superconductivity: The Richardson-Gaudin-Kitaev chain

What distinguishes trivial from topological superluids 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 fermionic parity switches that distinctively characterize topological superconductivity in 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; Cobanera, Emilio; Esebbag, Carlos; Beenakker, Carlo

2014-01-01

226

Many-body characterization of topological superconductivity: The Richardson-Gaudin-Kitaev chain

What distinguishes trivial from topological superluids 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 fermionic parity switches that distinctively characterize topological superconductivity in 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.

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

2014-07-14

227

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

228

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

229

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. PMID:21709258

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

2011-07-12

230

Optical Potentials for Inelastic Scattering from Many-Body Targets

NASA Astrophysics Data System (ADS)

The standard text book Green's function possesses a self-energy that is known to be an optical potential for elastic scattering. The introduction of an optical potential reduces the complex many-body scattering problem into a tractable one-body problem. In this paper inelastic Green's functions are introduced and discussed which possess self-energies that are optical potentials for inelastic scattering. If the projectile is indistinguishable from particles comprising the target, intriguing aspects arise even for noninteracting particles.

Cederbaum, L. S.

2000-10-01

231

Many-Body Electronic Structure of Curium metal

We report computer-based simulations for the many-body electronic structure of Curium metal. Cm belongs to the actinide series and has a half-filled shell with seven 5f electrons. As a function of pressure, curium exhibits five different crystallographic phases. At low temperatures all phases demonstrate either antiferromagnetic or ferrimagnetic ordering. In this study we perform LDA+DMFT calculations for the antiferromagnetic state

Antonina Toropova; Kristjan Haule; Gabriel Kotliar

2006-01-01

232

NASA Astrophysics Data System (ADS)

A Comment on the Letter by

Luo, H. G.; Xiang, T.; Wang, X. Q.

2003-07-01

233

NASA Astrophysics Data System (ADS)

Following a “bottom-up approach” in understanding many-particle effects and dynamics we provide a systematic ab initio study of the dependence of the breathing dynamics of ultracold bosons in a one-dimensional (1D) harmonic trap on the number of bosons ranging from few to many. To this end, we employ the multilayer multiconfiguration time-dependent Hartree method for bosons (ML-MCTDHB) which has been developed very recently [Krönke, Cao, Vendrell, and Schmelcher, New J. Phys.NJOPFM1367-263010.1088/1367-2630/15/6/063018 15, 063018 (2013)]. The beating behavior for two bosons is found numerically and consequently explained by an analytical approach. Drawing on this, we show how to compute the complete breathing mode spectrum in this case. We examine how the two-mode breathing behavior of two bosons evolves to the single-frequency behavior of the many-particle limit when adding more particles. In the limit of many particles, we numerically study the dependence of the breathing mode frequency on both the interaction strength as well as on the particle number. We provide an estimate for the parameter region where the mean-field description provides a valid approximation.

Schmitz, Rüdiger; Krönke, Sven; Cao, Lushuai; Schmelcher, Peter

2013-10-01

234

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

235

Collective many-body interaction in Rydberg dressed atoms

We present a method to control the shape and character of the interaction potential between cold atomic gases by weakly dressing the atomic ground state with a Rydberg level. For increasing particle densities, a crossover takes place from a two-particle interaction into a collective many-body interaction, where the dipole-dipole/van der Waals Blockade phenomenon between the Rydberg levels plays a dominant role. We study the influence of these collective interaction potential on a Bose-Einstein condensate, and present the optimal parameters for its experimental detection.

Jens Honer; Hendrik Weimer; Tilman Pfau; Hans Peter Büchler

2010-04-14

236

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

237

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

2014-09-27

238

Quantum dynamics in open quantum-classical systems.

Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics. PMID:25634784

Kapral, Raymond

2015-02-25

239

Marginal Anderson localization and many-body delocalization

NASA Astrophysics Data System (ADS)

We consider d -dimensional systems which are localized in the absence of interactions, but whose single-particle localization length diverges near a discrete set of (single-particle) energies, with critical exponent ? . This class includes disordered systems with intrinsic or symmetry protected topological bands, such as disordered integer quantum Hall insulators. We show that such marginally localized systems exhibit anomalous properties intermediate between localized and extended, including vanishing dc conductivity but subdiffusive dynamics, and fractal entanglement (an entanglement entropy with a scaling intermediate between area and volume law). We investigate the stability of marginal localization in the presence of interactions, and argue that arbitrarily weak short-range interactions trigger delocalization for partially filled bands at nonzero energy density if ? ?1 /d . We use the Harris-Chayes bound ? ?2 /d to conclude that marginal localization is generically unstable in the presence of interactions. Our results suggest the impossibility of stabilizing quantized Hall conductance at nonzero energy density.

Nandkishore, Rahul; Potter, Andrew C.

2014-11-01

240

Approaching the complete-basis limit with a truncated many-body expansion

High-accuracy electronic structure calculations with correlated wave functions demand the use of large basis sets and complete-basis extrapolation, but the accuracy of fragment-based quantum chemistry methods has most often been evaluated using double-? basis sets, with errors evaluated relative to a supersystem calculation using the same basis set. Here, we examine the convergence towards the basis-set limit of two- and three-body expansions of the energy, for water clusters and ion–water clusters, focusing on calculations at the level of second-order Møller-Plesset perturbation theory (MP2). Several different corrections for basis-set superposition error (BSSE), each consistent with a truncated many-body expansion, are examined as well. We present a careful analysis of how the interplay of errors (from all sources) influences the accuracy of the results. We conclude that fragment-based methods often benefit from error cancellation wherein BSSE offsets both incompleteness of the basis set as well as higher-order many-body effects that are neglected in a truncated many-body expansion. An n-body counterpoise correction facilitates smooth extrapolation to the MP2 basis-set limit, and at n = 3 affords accurate results while requiring calculations in subsystems no larger than trimers.

Richard, Ryan M.; Lao, Ka Un; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States)

2013-12-14

241

Strong many-body effects in silicene-based structures

NASA Astrophysics Data System (ADS)

Silicene, which is the silicon equivalent of carbon-based graphene and shares some unique properties with graphene, has been attracting more and more attention since its successful synthesis. Using Green's function perturbation theory, many-body effects in silicene, hydrogenated silicene (silicane), fluorinated silicene (fluorosilicene), as well as armchair silicene nanoribbons (ASiNRs) are studied. Optical resonances in silicene have been aroused by excitonic effects: The ???* excitonic resonance at 1.23 eV is contributed by the characteristic dispersion of Dirac fermions, while the one at 3.75 eV is due to the ???* transition. Hydrogenation or fluorination of silicene removes the conductivity at the Dirac point and causes band-gap opening. In addition to the remarkable self-energy effects, optical absorption properties of silicane, fluorosilicene, and ASiNRs are dominated by strong excitonic effects with formation of bound excitons with considerable binding energies.

Wei, Wei; Jacob, Timo

2013-07-01

242

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

243

Many-body effects in a Bose-Fermi mixture

NASA Astrophysics Data System (ADS)

We investigate many-body effects on a mixture of interacting bosons and fermions loaded in an optical lattice using a generalized dynamical mean-field theory combined with the numerical renormalization group. We show that strong correlation effects emerge in the presence of bosonic superfluidity, leading to a renormalized peak structure near the Fermi level in the density of states for fermions. Remarkably, this kind of strong renormalization appears not only in the metallic phase but also in the insulating phases of fermions such as in the empty- and filled-band limit. A systematic analysis of the relation between the quasiparticle weight and the strength of superfluidity reveals that the renormalization effect is indeed caused by the boson degrees of freedom. It is found that such renormalization is also relevant to a supersolid phase consisting of a density-wave ordering of fermions accompanied by bosonic superfluidity. This sheds light on the origin of the peak structure in the supersolid phase.

Noda, Kazuto; Peters, Robert; Kawakami, Norio; Pruschke, Thomas

2012-04-01

244

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

245

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

246

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

247

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

248

Computational Methods for Simulating Quantum Computers H. De Raedt

-Formula Algorithms 17 F. Comments 19 IV. Quantum Algorithms 19 A. Elementary Gates 21 1. Hadamard Gate 21 2. Swap computer is a complicated many-body system that interacts with its environment. In quantum statistical mechanics and quantum chemistry, it is well known that simulating an interacting quantum many-body system

249

Many-body braiding phases in a rotating strongly correlated photon gas

NASA Astrophysics Data System (ADS)

We present a theoretical study of fractional quantum Hall physics in a rotating gas of strongly interacting photons in a single cavity with a large optical nonlinearity. Photons are injected into the cavity by a Laguerre-Gauss laser beam with a non-zero orbital angular momentum. The Laughlin-like few-photon eigenstates appear as sharp resonances in the transmission spectra. Using additional localized repulsive potentials, quasi-holes can be created in the photon gas and then braided around in space: an unambiguous signature of the many-body Berry phase under exchange of two quasi-holes is observed as a spectral shift of the corresponding transmission resonance.

Umucal?lar, R. O.; Carusotto, I.

2013-11-01

250

Many-body localization and delocalization in the two-dimensional continuum

NASA Astrophysics Data System (ADS)

We discuss whether localization in the two-dimensional continuum can be stable in the presence of short-range interactions. We conclude that, for an impurity model of disorder, if the system is prepared below a critical temperature T

Nandkishore, Rahul

2014-11-01

251

Dielectric many-body effects in arrays of charged cylindrical macromolecules

NASA Astrophysics Data System (ADS)

Nonuniform dielectric constants are a ubiquitous aspect of condensed-matter systems, but nevertheless widely ignored in simulations. Analytical work suggests that the polarization effects resulting from these inhomogeneities can produce many-body interactions that qualitatively alter the behavior of systems driven by electrostatic interactions, but such work relies on approximations. Recently, we have developed an algorithm that computes the fluctuating polarization charge at the interface between dielectric materials during a molecular dynamics simulation, without approximation. Here, we apply this approach to investigate arrays of charged cylindrical macromolecules in the presence of explicit counterions. We study the dielectric many-body effects as a function of separation, dielectric constant variation, and counterion valency. Our findings have implications for the aggregation of polyelectrolytes such as F-actin or DNA.

Sinkovits, Daniel W.; Barros, Kipton; Dobnikar, Jure; Kandu&{Caron; C}, Matej; Naji, Ali; Podgornik, Rudolf; Luijten, Erik

2012-02-01

252

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

253

Importance of many-body correlations in glass transition: an example from polydisperse hard spheres.

Most of the liquid-state theories, including glass-transition theories, are constructed on the basis of two-body density correlations. However, we have recently shown that many-body correlations, in particular, bond orientational correlations, play a key role in both the glass transition and the crystallization transition. Here we show, with numerical simulations of supercooled polydisperse hard spheres systems, that the length-scale associated with any two-point spatial correlation function does not increase toward the glass transition. A growing length-scale is instead revealed by considering many-body correlation functions, such as correlators of orientational order, which follows the length-scale of the dynamic heterogeneities. Despite the growing of crystal-like bond orientational order, we reveal that the stability against crystallization with increasing polydispersity is due to an increasing population of icosahedral arrangements of particles. Our results suggest that, for this type of systems, many-body correlations are a manifestation of the link between the vitrification and the crystallization phenomena. Whether a system is vitrified or crystallized can be controlled by the degree of frustration against crystallization, polydispersity in this case. PMID:23556787

Leocmach, Mathieu; Russo, John; Tanaka, Hajime

2013-03-28

254

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

255

A many-body potential approach to modelling the thermomechanical properties of actinide oxides.

A many-body potential model for the description of actinide oxide systems, which is robust at high temperatures, is reported for the first time. The embedded atom method is used to describe many-body interactions ensuring good reproduction of a range of thermophysical properties (lattice parameter, bulk modulus, enthalpy and specific heat) between 300 and 3000 K for AmO2, CeO2, CmO2, NpO2, ThO2, PuO2 and UO2. Additionally, the model predicts a melting point for UO2 between 3000 and 3100 K, in close agreement with experiment. Oxygen-oxygen interactions are fixed across the actinide oxide series because it facilitates the modelling of oxide solid solutions. The new potential is also used to predict the energies of Schottky and Frenkel pair disorder processes. PMID:24553129

Cooper, M W D; Rushton, M J D; Grimes, R W

2014-03-12

256

for a merger of quantum-electrodynamics QED and standard relativistic MBPT. This combined many by the perturbation. For time- or energy-dependent perturbations, like those of quantum-electrodynamics QED available today, which is insuffi- cient for light and medium-heavy elements, where the elec- tron

Lindgren, Ingvar

257

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 ...

Santos, Luiz H.

258

Holographic Duality with a View Toward Many-Body Physics

These are notes based on a series of lectures given at the KITP workshop Quantum Criticality and the AdS/CFT Correspondence in July, 2009. The goal of the lectures was to introduce condensed matter physicists to the AdS/CFT ...

McGreevy, John

259

We review our results on a mathematical dynamical theory for observables for open many-body quantum nonlinear bosonic systems for a very general class of Hamiltonians. We show that non-quadratic (nonlinear) terms in a Hamiltonian provide a singular “quantum” perturbation for observables in some “mesoscopic” region of parameters. In particular, quantum effects result in secular terms in the dynamical evolution, that

Gennady P. Berman; Fausto Borgonovi; Diego A. R. Dalvit

2009-01-01

260

All-order relativistic many-body theory of low-energy electron-atom scattering

NASA Astrophysics Data System (ADS)

A generalization of the box-variational method is developed to describe particle scattering with the Dirac equation. The method is applied to extract phase shifts from all-order single + double relativistic many-body perturbation theory calculations of the electron-helium, electron-neon, and electron-krypton systems. Comparisons with experimental elastic and momentum transfer cross sections are made. Agreement at the 1% to 2% level is achieved for helium and neon. The scattering length for krypton is 4% smaller in magnitude than experimental estimates derived from swarm experiments.

Cheng, Yongjun; Tang, Li Yan; Mitroy, J.; Safronova, M. S.

2014-01-01

261

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

262

Stochastic evaluation of second-order many-body perturbation energies

NASA Astrophysics Data System (ADS)

With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mEh of the correct values after 108 Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

Willow, Soohaeng Yoo; Kim, Kwang S.; Hirata, So

2012-11-01

263

The Hubbard Dimer: A density functional case study of a many-body problem

This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in this elementary example, where the exact ground-state energy and site occupations can be found analytically, there is much to be explained in terms of the underlying logic and aims of Density Functional Theory. Although the usual solution is analytic, the density functional is given only implicitly. We overcome this difficulty using the Levy-Lieb construction to create a parametrization of the exact function with negligible errors. The symmetric case is most commonly studied, but we find a rich variation in behavior by including asymmetry, as strong correlation physics vies with charge-transfer effects. We explore the behavior of the gap and the many-body Green's function, demonstrating the `failure' of the Kohn-Sham method to reproduce the fundamental gap. We perform benchm...

Carrascal, Diego; Smith, Justin C; Burke, Kieron

2015-01-01

264

Many-body microhydrodynamics of colloidal particles with active boundary layers

Colloidal particles with active boundary layers - regions surrounding the particles where non-equilibrium 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 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

2014-11-02

265

Entanglement in fermion systems and quantum metrology

Entanglement in fermion many-body systems is studied using a generalized definition of separability based on partitions of the set of observables, rather than on particle tensor products. In this way, the characterizing properties of non-separable fermion states can be explicitly analyzed, allowing a precise description of the geometric structure of the corresponding state space. These results have direct applications in fermion quantum metrology: sub-shot noise accuracy in parameter estimation can be obtained without the need of a preliminary state entangling operation.

F. Benatti; R. Floreanini; U. Marzolino

2014-03-05

266

Many electronic systems exhibit striking features in their dynamical response over a prominent range of experimental parameters. While there are empirical suggestions of particular increasing length scales that accompany such transitions, this identification is not universal. To better understand such behavior in quantum systems, we extend a known mapping (earlier studied in stochastic, or supersymmetric, quantum mechanics) between finite temperature classical Fokker-Planck systems and related quantum systems at zero temperature to include general non-equilibrium dynamics. Unlike Feynman mappings or stochastic quantization methods (or holographic type dualities), the classical systems that we consider and their quantum duals reside in the same number of space-time dimensions. The upshot of our exact result is that a Wick rotation relates (i) dynamics in general finite temperature classical dissipative systems to (ii) zero temperature dynamics in the corresponding dual many-body quantum systems. Using this cor...

Nussinov, Zohar; Graf, Matthias J; Balatsky, Alexander V

2013-01-01

267

Many-body localization in one dimension as a dynamical renormalization group fixed point.

We formulate a dynamical real space renormalization group (RG) approach to describe the time evolution of a random spin-1/2 chain, or interacting fermions, initialized in a state with fixed particle positions. Within this approach we identify a many-body localized state of the chain as a dynamical infinite randomness fixed point. Near this fixed point our method becomes asymptotically exact, allowing analytic calculation of time dependent quantities. In particular, we explain the striking universal features in the growth of the entanglement seen in recent numerical simulations: unbounded logarithmic growth delayed by a time inversely proportional to the interaction strength. This is in striking contrast to the much slower entropy growth as loglogt found for noninteracting fermions with bond disorder. Nonetheless, even the interacting system does not thermalize in the long time limit. We attribute this to an infinite set of approximate integrals of motion revealed in the course of the RG flow, which become asymptotically exact conservation laws at the fixed point. Hence we identify the many-body localized state with an emergent generalized Gibbs ensemble. PMID:23432299

Vosk, Ronen; Altman, Ehud

2013-02-01

268

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

269

Periodic thermodynamics of isolated quantum systems.

The nature of the behavior of an isolated many-body quantum system periodically driven in time has been an open question since the beginning of quantum mechanics. After an initial transient period, such a system is known to synchronize with the driving; in contrast to the nondriven case, no fundamental principle has been proposed for constructing the resulting nonequilibrium state. Here, we analytically show that, for a class of integrable systems, the relevant ensemble is constructed by maximizing an appropriately defined entropy subject to constraints, which we explicitly identify. This result constitutes a generalization of the concepts of equilibrium statistical mechanics to a class of far-from-equilibrium systems, up to now mainly accessible using ad hoc methods. PMID:24785013

Lazarides, Achilleas; Das, Arnab; Moessner, Roderich

2014-04-18

270

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

271

Using superconducting quantum circuit elements, we propose an approach to experimentally construct a Kitaev lattice, which is an anisotropic spin model on a honeycomb lattice with three types of nearest-neighbor interactions and having topologically protected ground states. We study two particular parameter regimes to demonstrate both vortex and bond-state excitations. Our proposal outlines an experimentally realizable artificial many-body system that exhibits exotic topological properties.

J. Q. You; Xiao-Feng Shi; Xuedong Hu; Franco Nori

2009-12-03

272

Electrical Conductivity of Fermi Liquids. I. Many-Body Effect on the Drude Weight

NASA Astrophysics Data System (ADS)

On the basis of the Fermi liquid theory,we investigate the many-body effect on the Drude weight.In a lattice system the Drude weight D is modified by electron-electron interaction, while it is not renormalized in a Galilean invariant system.This is explained by showing that the effective mass m' for D?n/m'is defined through the current, not velocity, of quasiparticle.It is shown that the inequality D>0 is required for the stability against the uniform shift of the Fermi surface.The result of perturbation theory applied for the Hubbard model indicates that D as a function of the density nis qualitatively modified around half filling n˜1by Umklapp processes.

Okabe, Takuya

1998-08-01

273

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

274

Truncated many-body dynamics of interacting bosons: A variational principle with error monitoring

NASA Astrophysics Data System (ADS)

We develop a method to describe the temporal evolution of an interacting system of bosons, for which the field operator expansion is truncated after a finite number M of modes, in a rigorously controlled manner. Using McLachlan's principle of least error, we find a self-consistent set of equations for the many-body state. As a particular benefit and in distinction to previously proposed approaches, the presently introduced method facilitates the dynamical increase of the number of orbitals during the temporal evolution, due to the fact that we can rigorously monitor the error made by increasing the truncation dimension M. The additional orbitals, determined by the condition of least error of the truncated evolution relative to the exact one, are obtained from an initial trial state by steepest constrained descent.

Lee, Kang-Soo; Fischer, Uwe R.

2014-11-01

275

Truncated many-body dynamics of interacting bosons: A variational principle with error monitoring

We develop a method to describe the temporal evolution of an interacting system of bosons, for which the field operator expansion is truncated after a finite number $M$ of modes, in a rigorously controlled manner. Using McLachlan's principle of least error, we find a self-consistent set of equations for the many-body state. As a particular benefit, and in distinction to previously proposed approaches, the presently introduced method facilitates the dynamical increase of the number of orbitals during the temporal evolution, due to the fact that we can rigorously monitor the error made by increasing the truncation dimension $M$. The additional orbitals, determined by the condition of least error of the truncated evolution relative to the exact one, are obtained from an initial trial state by steepest $constrained$ descent.

Kang-Soo Lee; Uwe R. Fischer

2014-12-09

276

Many-body effects in the van der Waals-Casimir interaction between graphene layers

NASA Astrophysics Data System (ADS)

Van der Waals-Casimir dispersion interactions between two apposed graphene layers, a graphene layer and a substrate, and in a multilamellar graphene system are analyzed within the framework of the Lifshitz theory. This formulation hinges on a known form of the dielectric response function of an undoped or doped graphene sheet, assumed to be of a random-phase-approximation form. In the geometry of two apposed layers, the separation dependence of the van der Waals-Casimir interaction for both types of graphene sheets is determined and critically compared with some well-known limiting cases. In a multilamellar array, the many-body effects are quantified and shown to increase the magnitude of the van der Waals-Casimir interactions.

Sarabadani, Jalal; Naji, Ali; Asgari, Reza; Podgornik, Rudolf

2011-10-01

277

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

278

Field-Theoretical Approach to Many-Body Perturbation Theory: Combining MBPT and QED

Many-Body Perturbation Theory (MBPT) is today highly developed. The electron correlation of atomic and molecular systems can be evaluated to essentially all orders of perturbation theory--also relativistically (RMBPT)--by means of techniques of Coupled-Cluster type. When high accuracy is needed, effects beyond RMBPT will enter, i.e., effects of retarded Breit interaction and of radiative effects (Lamb shift), effects normally referred to as QED effects. These effects can be evaluated by means of special techniques, like S-matrix formulation, which cannot simultaneously treat electron correlation. It would for many applications be desirable to have access to a numerical technique, where effects of electron correlation and of QED could be treated on the same footing. Such a technique is presently being developed and gradually implemented at our laboratory. Some numerical results will be given.

Lindgren, Ingvar; Salomonson, Sten; Hedendahl, Daniel [Physics Department, Goeteborg University, Goeteborg (Sweden)

2007-12-26

279

Electronic excitations of bulk LiCl from many-body perturbation theory

NASA Astrophysics Data System (ADS)

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; Rohlfing, Michael

2013-12-01

280

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. PMID:24320397

Jiang, Yun-Feng; Wang, Neng-Ping; Rohlfing, Michael

2013-12-01

281

Hyperon mixing and universal many-body repulsion in neutron stars

NASA Astrophysics Data System (ADS)

A multi-Pomeron exchange potential (MPP) is proposed as a model for the universal many-body repulsion in baryonic systems on the basis of the extended soft core (ESC) baryon-baryon interaction. The strength of the MPP is determined by analyzing the nucleus-nucleus scattering with the G -matrix folding model. The interaction in ? N channels is shown to reproduce well the experimental ? binding energies. The equation of state (EoS) in neutron matter with hyperon mixing is obtained including the MPP contribution, and mass-radius relations of neutron stars are derived. It is shown that the maximum mass can be larger than the observed one, 2 M? , even in the case of including hyperon mixing on the basis of model parameters determined by terrestrial experiments.

Yamamoto, Y.; Furumoto, T.; Yasutake, N.; Rijken, Th. A.

2014-10-01

282

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

283

Operator-based truncation scheme based on the many-body fermion density matrix

NASA Astrophysics Data System (ADS)

In an earlier work [S. A. Cheong and C. L. Henley, preceding paper], we derived an exact formula for the many-body density matrix ?B of a block of B sites cut out from an infinite chain of noninteracting spinless fermions, and found that the many-particle eigenvalues and eigenstates of ?B can all be constructed out of the one-particle eigenvalues and one-particle eigenstates, respectively. In this paper we improved upon this understanding, and developed a statistical-mechanical analogy between the density-matrix eigenstates and the many-body states of a system of noninteracting fermions. Each density-matrix eigenstate corresponds to a particular set of occupation of single-particle pseudoenergy levels, and the density-matrix eigenstate with the largest weight, having the structure of a Fermi sea ground state, unambiguously defines a pseudo-Fermi level. Based on this analogy, we outlined the main ideas behind an operator-based truncation of the density-matrix eigenstates, where single-particle pseudoenergy levels far away from the pseudo-Fermi level are removed as degrees of freedom. We report numerical evidence for scaling behaviors in the single-particle pseudoenergy spectrum for different block sizes B and different filling fractions n¯. With the aid of these scaling relations, which tell us that the block size B plays the role of an inverse temperature in the statistical-mechanical description of the density-matrix eigenstates and eigenvalues, we looked into the performance of our operator-based truncation scheme in minimizing the discarded density-matrix weight and the error in calculating the dispersion relation for elementary excitations. This performance was compared against that of the traditional density-matrix-based truncation scheme, as well as against an operator-based plane-wave truncation scheme, and found to be very satisfactory.

Cheong, Siew-Ann; Henley, Christopher L.

2004-02-01

284

Relativistic and Field Theoretic Effects in the Nuclear Many-Body Problem.

NASA Astrophysics Data System (ADS)

Field theoretic effects of a nucleon of an oxygen -17 have been studied. A computational scheme involving sigma and omega mesons has been set up. It employs the Furry picture of quantum field theory along with an introduction of vector and scalar Woods-Saxon potentials. Use of an adiabatic switching on an interaction leads to an energy shift in form of a symmetric Gell-Mann and Low formula which contains the S matrix. The S matrix allows an expansion in terms of Feynman diagrams which in turn enables us to write a perturbative series analogous to that in many-body perturbation theory. Retardation effects and the first-order energy correction E_{1} of two valence states, 1d_{5/2} and 2s_{1/2}, have been calculated from the diagrams. The self-energy of the 1s _{1/2} state is investigated along with the use of a renormalization technique. The retardation effects are small in the order of 10 kev while the self-energy and E_{1} corrections are big in the order of 700 and 10 Mev respectively.

Poorakkiat, Chaisingh

285

Relativistic and field theoretic effects in the nuclear many-body problem

Field theoretic effects of a nucleon of an oxygen-17 have been studied. A computational scheme involving {sigma} and {omega} mesons has been set up. It employs the Furry picture of quantum field theory along with an introduction of vector and scalar Woods-Saxon potentials. Use of an adiabatic switching on an interaction leads to an energy shift in form of a symmetric Gell-Mann and Low formula which contains the S matrix. The S matrix allows an expansion in terms of Feynman diagrams which in turn enables us to write a perturbative series analogous to that in many-body perturbation theory. Retardation effects and the first-order energy correction E{sub 1} of two valence states, 1d{sub 5/2} and 2s{sub 1/2}, have been calculated from the diagrams. The self-energy of the 1s{sub 1/2} state is investigated along with the use of a renormalization technique. The retardation along with the use of a renormalization technique. The retardation effects are small in the order of 10 kev while the self-energy and E{sub 1} corrections are big in the order of 700 and 10 Mev respectively.

PooRakkiat, C.

1989-01-01

286

Spectroscopic Fingerprinting of Small Molecules via Many-Body Perturbation Theory

NASA Astrophysics Data System (ADS)

Quantitative understanding of the photophysics of small organic molecules is an important challenge and relevant to a range of energy conversion applications. Existing first-principles methods, such as time-dependent density functional theory, coupled cluster, and other quantum chemistry-based approaches can sometimes provide onset energies with good accuracy, but agreement at higher energies - a more complete spectral fingerprint - is frequently less adequate. Here we use DFT and many-body perturbation theory, within the GW approximation and the Bethe-Salpeter Equation approach, to compute the UV-Vis absorption spectra for a range of small molecules, comparing closely to room-temperature, solution-phase measurements of onsets and spectra. First-principles molecular dynamics is used to prepare snapshots of finite temperature conformations. The effects of continuum and explicit solvation models are considered. The importance of dynamic disorder, delocalized unoccupied states, and solvation are thoroughly discussed in the context of experiments. Support: DOE via the Molecular Foundry and Helios SERC, and NSF via NCN. Computational support provided by NERSC.

Doak, Peter; Darancet, Pierre; Neaton, Jeffrey

2012-02-01

287

Many-Body Treatment of the Collisional Frequency Shift in Fermionic Atoms

NASA Astrophysics Data System (ADS)

Recent experiments have measured collisional frequency shifts in polarized fermionic alkaline-earth atoms using S01-P03 Rabi spectroscopy. Here, we provide a first-principles nonequilibrium theoretical description of the interaction frequency shifts starting from the microscopic many-body Hamiltonian. Our formalism describes the dependence of the frequency shift on excitation inhomogeneity, interactions, temperature, and many-body dynamics, provides a fundamental understanding of the effects of the measurement process, and explains the observed density shift data.

Rey, A. M.; Gorshkov, A. V.; Rubbo, C.

2009-12-01

288

We describe a many-body quantum system which 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 has propagated 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 which 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.

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

2012-07-11

289

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

NASA Astrophysics Data System (ADS)

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

2014-02-01

290

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

291

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

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. PMID:25494731

Gillan, M J

2014-12-14

292

Applications of many-body physics to relativistic heavy ion collisions

NASA Astrophysics Data System (ADS)

In this dissertation, many-body physics techniques are used to study and improve ideas related to the description of heavy ion collisions at very high energy. The first part of the thesis concerns the production of tensor mesons in proton-proton (pp) collisions. An effective theory where the f2 meson couples to the energy-momentum tensor is proposed and a comparison of the inclusive cross-section computed in the collinear factorization, the k?-factorization and the color glass condensate is performed. A study of the phenomenology in pp collisions then shows a strong dependence on the parametrization of the unintegrated distribution function. The conclusion is that f2 meson production can be utilized to improve the understanding of the proton wave-function. In the second part, a similar investigation is performed by analysing the production cross-section of the eta' meson in pp and proton-nucleus (pA) collisions. The nucleus and proton are described by the CGC and the k? -factorization respectively. A new technique for the computation of Wilson lines---color charge densities correlators in the McLerran-Venugopalan model is developped. The phenomenology shows that the cross-section in pA collisions is very sensitive to the value of the saturation scale, a crucial ingredient of the CGC picture. In the third part of the thesis, the collision term of the Boltzmann equation is derived from first principles at all orders and for any number of participating particles, starting from the full out-of-equilibrium quantum field theory and using the multiple scattering expansion. Finally, the emission of photons from a non-abelian strong classical field is investigated. A formalism based on Schwinger-Keldysh propagators relating the production rate of photons to the retarded solution of the Dirac equation in a background field is presented.

Fillion-Gourdeau, Francois

293

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

294

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

NASA Astrophysics Data System (ADS)

This work proposes an empirical, variable charge potential for Ti and TiO2 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 TiO2 rutile phase, and the energetics of polymorphs of both Ti and TiO2. The relative stabilities of TiO2 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 TiO2(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/TiO2 interface. The adsorption energies of Cu clusters on the reduced and oxidized TiO2(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.

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

2014-08-01

295

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

296

Extended many-body potential of Hauschild and Prausnitz for pure HFD-like fluids

NASA Astrophysics Data System (ADS)

We have extended the many-body potential of Hauschild and Prausnitz (1993) in terms of the non-additivity coefficient and density (at different temperatures from liquid phase to supercritical region) for pure fluids. In order to compare our many-body potential with the accurate three-body potentials in the literature, we have performed molecular dynamics simulation to obtain pressure and self-diffusion coefficient values at different temperatures and densities using the two-body HFD-like potential and different three-body potentials. Our results indicated that our extended many-body potential is superior to the three-body potential of Guzman et al. (2011) for the different fluids and is also better than the three-body potential of Wang and Sadus (2006) for some noble gases.

Abbaspour, Mohsen; Naderkhovy, Nasrin

2014-11-01

297

An accurate single-sheeted double many-body expansion potential energy surface is reported for the title system. A switching function formalism has been used to warrant the correct behavior at the H2(X1?g+)+N(2D) and NH?(X3?-)+H(2S) dissociation channels involving nitrogen in the ground N(4S) and first excited N(2D) states. The topographical features of the novel global potential energy surface are examined in detail, and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. The novel surface can be using to treat well the Renner-Teller degeneracy of the 12A? and 12A' states of NH?2. Such a work can both be recommended for dynamics studies of the N(2D)+H2 reaction and as building blocks for constructing the double many-body expansion potential energy surface of larger nitrogen/hydrogen-containing systems. In turn, a test theoretical study of the reaction N(2D)+H2(X1?g+)(?=0,j=0)?NH?(X3?-)+H(2S) has been carried out with the method of quantum wave packet on the new potential energy surface. Reaction probabilities, integral cross sections, and differential cross sections have been calculated. Threshold exists because of the energy barrier (68.5 meV) along the minimum energy path. On the curve of reaction probability for total angular momentum J?=?0, there are two sharp peaks just above threshold. The value of integral cross section increases quickly from zero to maximum with the increase of collision energy, and then stays stable with small oscillations. The differential cross section result shows that the reaction is a typical forward and backward scatter in agreement with experimental measurement result. PMID:23666848

Li, Yongqing; Yuan, Jiuchuang; Chen, Maodu; Ma, Fengcai; Sun, Mengtao

2013-07-15

298

Incorporating many-body effects into modeling of semiconductor lasers and amplifiers

Major many-body effects that are important for semiconductor laser modeling are summarized. The authors adopt a bottom-up approach to incorporate these many-body effects into a model for semiconductor lasers and amplifiers. The optical susceptibility function ({Chi}) computed from the semiconductor Bloch equations (SBEs) is approximated by a single Lorentzian, or a superposition of a few Lorentzians in the frequency domain. Their approach leads to a set of effective Bloch equations (EBEs). The authors compare this approach with the full microscopic SBEs for the case of pulse propagation. Good agreement between the two is obtained for pulse widths longer than tens of picoseconds.

Ning, C.Z.; Moloney, J.V.; Indik, R.A. [Univ. of Arizona, Tucson, AZ (United States)] [and others

1997-06-01

299

Many-body treatment of the collisional frequency shift in fermionic atoms.

Recent experiments have measured collisional frequency shifts in polarized fermionic alkaline-earth atoms using 1S0-3P0 Rabi spectroscopy. Here, we provide a first-principles nonequilibrium theoretical description of the interaction frequency shifts starting from the microscopic many-body Hamiltonian. Our formalism describes the dependence of the frequency shift on excitation inhomogeneity, interactions, temperature, and many-body dynamics, provides a fundamental understanding of the effects of the measurement process, and explains the observed density shift data. PMID:20366297

Rey, A M; Gorshkov, A V; Rubbo, C

2009-12-31

300

We prove that quantum many-body systems on a one-dimensional lattice locally relax to Gaussian states under non-equilibrium dynamics generated by a bosonic quadratic Hamiltonian. This is true for a large class of initial states - pure or mixed - which have to satisfy merely weak conditions concerning the decay of correlations. The considered setting is a proven instance of a situation where dynamically evolving closed quantum systems locally appear as if they had truly relaxed, to maximum entropy states for fixed second moments. This furthers the understanding of relaxation in suddenly quenched quantum many-body systems. The proof features a non-commutative central limit theorem for non-i.i.d. random variables, showing convergence to Gaussian characteristic functions, giving rise to trace-norm closeness. We briefly relate our findings to ideas of typicality and concentration of measure.

M. Cramer; J. Eisert

2010-05-31

301

Matter Wave Optical Techniques for Probing Many-body Scott Nicholas Sanders

Matter Wave Optical Techniques for Probing Many-body Targets by Scott Nicholas Sanders A by . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Thomas Greytak Chairman, Department Committee on Graduate Theses #12;#12;to my family #12;#12;Matter Wave of Philosophy in Physics Abstract This thesis reports on our investigation of the uses of matter waves to probe

Heller, Eric

302

N=2 superconformal Newton-Hooke algebra and many-body mechanics

A representation of the conformal Newton-Hooke algebra on a phase space of n particles in arbitrary dimension which interact with one another via a generic conformal potential and experience a universal cosmological repulsion or attraction is constructed. The minimal N=2 superconformal extension of the Newton-Hooke algebra and its dynamical realization in many-body mechanics are studied.

Anton Galajinsky

2009-09-17

303

Optically Engineered Quantum States in Ultrafast and Ultracold Systems

NASA Astrophysics Data System (ADS)

This short account summarizes our recent achievements in ultrafast coherent control of isolated molecules in the gas phase, and its ongoing applications to an ensemble of ultracold Rydberg atoms to explore quantum many-body dynamics.

Ohmori, Kenji

2014-08-01

304

Propagation of Disturbances in Degenerate Quantum Systems

Disturbances in gapless quantum many-body models are known to travel an unlimited distance throughout the system. Here, we explore this phenomenon in finite clusters with degenerate ground states. The specific model studied here is the one-dimensional J1-J2 Heisenberg Hamiltonian at and close to the Majumdar-Ghosh point. Both open and periodic boundary conditions are considered. Quenches are performed using a local magnetic field. The degenerate Majumdar-Ghosh ground state allows disturbances which carry quantum entanglement to propagate throughout the system, and thus dephase the entire system within the degenerate subspace. These disturbances can also carry polarization, but not energy, as all energy is stored locally. The local evolution of the part of the system where energy is stored drives the rest of the system through long-range entanglement. We also examine approximations for the ground state of this Hamiltonian in the strong field limit, and study how couplings away from the Majumdar-Ghosh point affect the propagation of disturbances. We find that even in the case of approximate degeneracy, a disturbance can be propagated throughout a finite system.

Nicholas Chancellor; Stephan Haas

2011-07-06

305

Non-local propagation of correlations in quantum systems with long-range interactions.

The maximum speed with which information can propagate in a quantum many-body system directly affects how quickly disparate parts of the system can become correlated and how difficult the system will be to describe numerically. For systems with only short-range interactions, Lieb and Robinson derived a constant-velocity bound that limits correlations to within a linear effective 'light cone'. However, little is known about the propagation speed in systems with long-range interactions, because analytic solutions rarely exist and because the best long-range bound is too loose to accurately describe the relevant dynamical timescales for any known spin model. Here we apply a variable-range Ising spin chain Hamiltonian and a variable-range XY spin chain Hamiltonian to a far-from-equilibrium quantum many-body system and observe its time evolution. For several different interaction ranges, we determine the spatial and time-dependent correlations, extract the shape of the light cone and measure the velocity with which correlations propagate through the system. This work opens the possibility for studying a wide range of many-body dynamics in quantum systems that are otherwise intractable. PMID:25008525

Richerme, Philip; Gong, Zhe-Xuan; Lee, Aaron; Senko, Crystal; Smith, Jacob; Foss-Feig, Michael; Michalakis, Spyridon; Gorshkov, Alexey V; Monroe, Christopher

2014-07-10

306

Non-local propagation of correlations in quantum systems with long-range interactions

NASA Astrophysics Data System (ADS)

The maximum speed with which information can propagate in a quantum many-body system directly affects how quickly disparate parts of the system can become correlated and how difficult the system will be to describe numerically. For systems with only short-range interactions, Lieb and Robinson derived a constant-velocity bound that limits correlations to within a linear effective `light cone'. However, little is known about the propagation speed in systems with long-range interactions, because analytic solutions rarely exist and because the best long-range bound is too loose to accurately describe the relevant dynamical timescales for any known spin model. Here we apply a variable-range Ising spin chain Hamiltonian and a variable-range XY spin chain Hamiltonian to a far-from-equilibrium quantum many-body system and observe its time evolution. For several different interaction ranges, we determine the spatial and time-dependent correlations, extract the shape of the light cone and measure the velocity with which correlations propagate through the system. This work opens the possibility for studying a wide range of many-body dynamics in quantum systems that are otherwise intractable.

Richerme, Philip; Gong, Zhe-Xuan; Lee, Aaron; Senko, Crystal; Smith, Jacob; Foss-Feig, Michael; Michalakis, Spyridon; Gorshkov, Alexey V.; Monroe, Christopher

2014-07-01

307

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

308

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

309

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

310

Parallel Many--Body Simulations Without All--to--All Communication

Simulations of interacting particles are common in science and engineering, appearing insuch diverse disciplines as astrophysics, fluid dynamics, molecular physics, and materials science.These simulations are often computationally intensive and so natural candidates for massivelyparallel computing. Many--body simulations that directly compute interactions between pairsof particles, be they short--range or long--range interactions, have been parallelized in severalstandard ways. The...

Bruce Hendrickson; Steve Plimpton Sandia

1993-01-01

311

Synthetic quantum matter under a Harvard University

to experimentally quantum many body systems at extreme low temperatures. Using our bosonic quantum gas microscope/Coffee at Seminar Hall, TCIS Seminar Synthetic quantum matter under a microscope Rajibul Islam Harvard University at extreme low temperatures. Using our bosonic quantum gas icroscope set up we create arbitrary optical

Shyamasundar, R.K.

312

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

313

Fourth-order diffusion Monte Carlo algorithms for solving quantum many-body problems

By decomposing the important sampled imaginary time Schrodinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth-order diffusion Monte Carlo algorithms. These sophisticated algorithms require...

Forbert, HA; Chin, Siu A.

2001-01-01

314

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

solvable parts, and further iterates this short-time propagator to longer time. This is essentially the approach of the diffusion Monte Carlo ~DMC! method.1?3 The need for iterations introduces the complication of branching, which is the hallmark... of diffu- sion and Green?s-function Monte Carlo methods.4 Our idea is to develop a short-time propagator via higher-order decom- position that can be applied for a sufficiently long time to project out an excellent approximation to the ground state...

Ciftja, O.; Chin, Siu A.

2003-01-01

315

Full-potential KKR calculations for vacancies in Al : Screening effect and many-body interactions

NASA Astrophysics Data System (ADS)

We give ab initio calculations for vacancies in Al . The calculations are based on the generalized-gradient approximation in the density-functional theory and employ the all-electron full-potential Korringa-Kohn-Rostoker Green’s function method for point defects, which guarantees the correct embedding of the cluster of point defects in an otherwise perfect crystal. First, we confirm the recent calculated results of Carling [Phys. Rev. Lett. 85, 3862 (2000)], i.e., repulsion of the first-nearest-neighbor (1NN) divacancy in Al , and elucidate quantitatively the micromechanism of repulsion. Using the calculated results for vacancy formation energies and divacancy binding energies in Na , Mg , Al , and Si of face-centered-cubic, we show that the single vacancy in nearly free-electron systems becomes very stable with increasing free-electron density, due to the screening effect, and that the formation of divacancy destroys the stable electron distribution around the single vacancy, resulting in a repulsion of two vacancies on 1NN sites, so that the 1NN divacancy is unstable. Second, we show that the cluster expansion converges rapidly for the binding energies of vacancy agglomerates in Al . The binding energy of 13 vacancies consisting of a central vacancy and its 12 nearest neighbors, is reproduced within the error of 0.002eV per vacancy, if many-body interaction energies up to the four-body terms are taken into account in the cluster expansion, being compared with the average error (>0.1eV) of the glue models which are very often used to provide interatomic potentials for computer simulations. For the cluster expansion of the binding energies of impurities, we get the same convergence as that obtained for vacancies. Thus, the present cluster-expansion approach for the binding energies of agglomerates of vacancies and impurities in Al may provide accurate data to construct the interaction-parameter model for computer simulations which are strongly requested to study the dynamical process in the initial stage of the formation of the so-called Guinier-Preston zones of low-concentrated Al -based alloys such as Al1-cXc ( X=Cu , Zn ; c<0.05 ).

Hoshino, T.; Asato, M.; Zeller, R.; Dederichs, P. H.

2004-09-01

316

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

317

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

318

Many electronic systems exhibit striking features in their dynamical response over a prominent range of experimental parameters. While there are empirical suggestions of particular increasing length scales that accompany such transitions, this identification is not universal. To better understand such behavior in quantum systems, we extend a known mapping (earlier studied in stochastic, or supersymmetric, quantum mechanics) between finite temperature classical Fokker-Planck systems and related quantum systems at zero temperature to include general non-equilibrium dynamics. Unlike Feynman mappings or stochastic quantization methods (or holographic type dualities), the classical systems that we consider and their quantum duals reside in the same number of space-time dimensions. The upshot of our exact result is that a Wick rotation relates (i) dynamics in general finite temperature classical dissipative systems to (ii) zero temperature dynamics in the corresponding dual many-body quantum systems. Using this correspondence, we illustrate that, even in the absence of imposed disorder, many continuum quantum fluid systems (and possible lattice counterparts) may exhibit a zero-point "quantum dynamical heterogeneity" wherein the dynamics, at a given instant, is spatially non-uniform. While the static length scales accompanying this phenomenon do not exhibit a clear divergence in standard correlation functions, the length scale of the dynamical heterogeneities can increase dramatically. We study "quantum jamming" and illustrate how a hard core bosonic system may undergo a zero temperature quantum critical metal-to-insulator-type transition with an extremely large effective dynamical exponent z>4 consistent with length scales that increase far more slowly than the relaxation time as a putative critical transition is approached. We suggest ways to analyze experimental data.

Zohar Nussinov; Patrick Johnson; Matthias J. Graf; Alexander V. Balatsky

2013-04-15

319

Solvable and/or integrable many-body models on a circle

Various many-body models are treated, which describe $N$ points confined to move on a plane circle. Their Newtonian equations of motion ("accelerations equal forces") are integrable, i. e. they allow the explicit exhibition of $N$ constants of motion in terms of the dependent variables and their time-derivatives. Some of these models are moreover solvable by purely algebraic operations, by (explicitly performable) quadratures and, finally, by functional inversions. The techniques to manufacture these models are not new; some of these models are themselves new; others are reinterpretations of known models.

Oksana Bihun; Francesco Calogero

2014-07-08

320

Entropic wetting and many-body induced layering in a model colloid-polymer mixture.

We develop an efficient simulation scheme to study a model suspension of equally sized colloidal hard spheres and nonadsorbing ideal polymer coils, both in bulk and adsorbed against a planar hard wall. The many-body character of the polymer-mediated effective interactions between the colloids yields a bulk phase diagram and adsorption phenomena that differ substantially from those found for pairwise simple fluids; e.g., we find an anomalously large bulk liquid regime and, far from the bulk triple point, three layering transitions in the partial wetting regime prior to a transition to complete wetting by colloidal liquid. PMID:12443514

Dijkstra, Marjolein; van Roij, René

2002-11-11

321

NASA Astrophysics Data System (ADS)

Theoretical studies of Rydberg autoionization resonances in spectra of lanthanides atoms (ytterbium) are carried out within the relativistic many-body perturbation theory in the generalized relativistic energy approach (Gell-Mann and Low S-matrix formalism). The accurate theoretical results on the autoionization 4f13[2F7/2]6s2np[5/2]2, 4f13 [2F7/2] 6s2nf[5/2]2 resonances energies and widths are presented and compared with experimental data, obtained by using laser polarization spectroscopy method.

Svinarenko, A. A.

2014-11-01

322

Self-consistent RPA based on a many-body vacuum

Self-Consistent RPA is extended in a way so that it is compatible 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.

Jemaie, M., E-mail: jemai@ipno.in2p3.fr [Universite de Tunis El-Manar, Departement de Physique, Faculte des Sciences de Tunis (Tunisia); Schuck, P., E-mail: schuck@ipno.in2p3.fr [Universite Paris-Sud, CNRS-IN2P3 15, Institut de Physique Nucleaire d'Orsay (France)

2011-08-15

323

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

324

Many-body interaction effects in doped and undoped graphene: Fermi liquid versus non-Fermi liquid

NASA Astrophysics Data System (ADS)

We consider theoretically the electron-electron interaction induced many-body effects in undoped (“intrinsic”) and doped (“extrinsic”) two-dimensional (2D) graphene layers. We find that (1) intrinsic graphene is a marginal Fermi liquid with the imaginary part of the self-energy, Im?(?) , varying linearly in energy ? for small ? , implying that the quasiparticle spectral weight vanishes at the Dirac point as (ln?)-1 ; and (2) extrinsic graphene is a well-defined Fermi liquid with Im?(?)˜?2ln? near the Fermi surface similar to 2D carrier systems with parabolic energy dispersion. We provide analytical and numerical results for quasiparticle renormalization in graphene, concluding that all experimental graphene systems are ordinary 2D Fermi liquids since any doping automatically induces generic Fermi liquid behavior.

Das Sarma, S.; Hwang, E. H.; Tse, Wang-Kong

2007-03-01

325

Lyapunov control on quantum systems

NASA Astrophysics Data System (ADS)

We review the scheme of quantum Lyapunov control and its applications into quantum systems. After a brief review on the general method of quantum Lyapunov control in closed and open quantum systems, we apply it into controlling quantum states and quantum operations. The control of a spin-1/2 quantum system, driving an open quantum system into its decoherence free subspace (DFS), constructing single qubit and two-qubit logic gates are taken to illustrate the scheme. The optimalization of the Lyapunov control is also reviewed in this article.

Wang, L. C.; Yi, X. X.

2014-12-01

326

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

327

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

328

Dynamical many-body corrections to the residual resistivity of metals

NASA Astrophysics Data System (ADS)

The residual resistivity of metals at the absolute zero of temperature is usually understood in terms of electrons scattering from random impurities. This mechanism, however, does not take into account dynamical many-body effects, which cannot be described in terms of a static electron-impurity potential. Here we show that dynamical corrections to the resistivity, already known to play a role in nanoscale conductors, are of quantitative importance in the calculation of the residual resistivity of simple metals, and lead to a significantly improved agreement between theory and experiment in the case of impurities embedded in an Al host. Our calculations are based on a recently proposed form of the time-dependent many-body exchange-correlation potential, which is derived from the time-dependent current density functional theory. Surprisingly, we find that the largest correction to the residual resistivity arises from the real part of the exchange-correlation kernel of time-dependent current density functional theory, rather than from its imaginary part. This unexpected result is shown to be consistent with recent theories of the dynamical corrections to the resistivity of nanoscale conductors.

Nazarov, V. U.; Vignale, G.; Chang, Y.-C.

2014-06-01

329

Wave-function formalisms in the channel coupling array theory of many-body scattering

NASA Astrophysics Data System (ADS)

Wave-function formalisms corresponding to different channel coupling array transition operators of many-body scattering theory are derived and discussed. The Kouri-Levin transition operators are seen to be in typical Lippmann-Schwinger form and allow for the introduction of wave-function components in a particularly straightforward way. The Baer-Kouri transition operators are not in the Lippmann-Schwinger form and an alternate procedure is used to derive their corresponding wave-function components. In the three-body case, the Kouri-Levin operators T^jk obtained from the Faddeev-Lovelace choice of channel coupling array are seen to lead to precisely the Faddeev wave-function components. The Bear-Kouri operators are shown to lead to wave-function components obeying inhomogeneous equations. These inhomogeneous equations are used to give an alternate explanation of the nonunitary amplitudes obtained in recent calculations based on approximate forms of the Baer-Kouri operators. NUCLEAR REACTIONS Many-body scattering theory, channel coupling array wave-function formalisms, aspects of the bound-state type of approximation method, explanation of some nonunitary numerical results of Baer and Kouri and of Lewanski and Tobocman.

Levin, F. S.

1980-06-01

330

Magmatic "Quantum-Like" Systems

Quantum computation has suggested, among others, the consideration of "non-quantum" systems which in certain respects may behave "quantum-like". Here, what algebraically appears to be the most general possible known setup, namely, of {\\it magmas} is used in order to construct "quantum-like" systems. The resulting magmatic composition of systems has as a well known particular case the tensor products.

Elemer E Rosinger

2008-12-16

331

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

332

Possible ''new'' quantum systems

Systems of spin-aligned hydrogen isotopes are studied. They are shown to exhibit even more extreme ''quantum'' behavior than the helium isotopes. Spin-aligned hydrogen is predicted to be a gas at all temperatures and its Bose-Einstein condensation and possible superfluidity are discussed. Spin-aligned deuterium is predicted to show critical behavior strongly influence by quantum mechanics. The preparation of spin-aligned hydrogen (in

Willian Stwalley; L. H. Nosanow

1976-01-01

333

NASA Astrophysics Data System (ADS)

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 single-loop perturbative renormalization group (RG) analysis. Given that the effective (bare) coupling constant (i.e., the 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 in theoretically studying graphene many-body effects, primarily at the Dirac point (i.e., in undoped, intrinsic graphene), by going up to three loops in the diagrammatic expansion to both ascertain the validity of a perturbative expansion in the coupling constant and to develop a RG theory that can be used to estimate the actual quantitative renormalization effect to higher-order accuracy. Electron-electron interactions are expected to play an important role in intrinsic graphene due to the absence of screening at the Dirac (charge neutrality) point, potentially leading to strong deviations from the Fermi-liquid description around the charge neutrality point where the graphene Fermi velocity should manifest an ultraviolet logarithmic divergence because of the linear band dispersion. 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 Dirac point is approached by lowering the carrier density. We provide a critical comparison between theory and experiment, using both higher-order diagrammatic and random phase approximation (i.e., infinite-order bubble diagrams) calculations, emphasizing future directions for a deeper understanding of the graphene effective field theory. We find that while the one-loop RG analysis gives reasonable quantitative agreement with the experimental data, both for graphene in vacuum and graphene on substrates, particularly when dynamical screening effects and finite carrier density effects are incorporated in the theory through the random phase approximation, the two-loop analysis reveals an interacting strong-coupling critical point in graphene suspended in vacuum signifying either a quantum phase transition or a breakdown of the weak-coupling renormalization group approach. By adapting a version of Dyson's argument for the breakdown of the QED perturbative expansion to the case of graphene, we show that in contrast to QED where the asymptotic perturbative series in the coupling constant converges to at least 137 orders (and possibly to much higher order) before diverging in higher orders, the graphene perturbative series in the coupling constant may manifest asymptotic divergence already in the first or second order in the coupling constant, favoring the conclusion that perturbation theory may be inadequate, particularly for graphene suspended in vacuum. We propose future experiments and theoretical directions to make further progress on this important and difficult problem. The question of convergence of the asymptotic perturbative expansion for graphene many-body effects is discussed critically in the context of the available experimental results and our theoretical calculations.

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

2014-06-01

334

The hydrogen bond has been studied by chemists for nearly a century. Interest in this ubiquitous bond has led to several prototypical systems emerging to studying its behavior. Hydrogen chloride clusters stand as one such example. We present here a new many-body potential energy surface for (HCl)n constructed from one-, two-, and three-body interactions. The surface is constructed from previous highly accurate, semiempirical monomer and dimer surfaces, and a new high-level ab initio permutationally invariant full-dimensional three-body potential. The new three-body potential is based on fitting roughly 52,000 three-body energies computed using coupled cluster with single, doubles, perturbative triples, and explicit correlation and the augmented correlation consistent double-? basis set. The first application, described here, is to the ring HCl trimer, for which the many-body representation is exact. The new potential describes all known stationary points of the trimer as well its dissociation to either three monomers or a monomer and a dimer. The anharmonic vibrational energies are computed for the three H-Cl stretches, using explicit three-mode coupling calculations and local-monomer calculations with Hückel-type coupling. Both methods produce frequencies within 5 cm(-1) of experiment. A wavepacket calculation based on the Hückel model and full-dimensional classical calculation are performed to study the monomer H-Cl stretch vibration-vibration transfer process in the ring HCl trimer. Somewhat surprisingly, the results of the quantum and classical calculations are virtually identical, both exhibiting coherent beating of the excitation between the three monomers. Finally, this representation of the potential is used to study properties of larger clusters, namely to compute optimized geometries of the tetramer, pentamer, and hexamer and to perform explicit four-mode coupling calculations of the tetramer's anharmonic stretch frequencies. The optimized geometries are found to be in agreement with those of previous ab initio studies and the tetramer's anharmonic frequencies are computed within 11 cm(-1) of experiment. PMID:24444294

Mancini, John S; Bowman, Joel M

2014-09-01

335

Simulating quantum systems on a quantum computer

We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a conventional simulation of the corresponding classical system. We then sketch how results of interest, like the energy spectrum of a

C. Zalka

1998-01-01

336

NASA Astrophysics Data System (ADS)

The solvation of the Na+ ion in helium clusters has been studied theoretically using optimization methods. A many-body empirical potential was developed to account for Na+-He and polarization interactions, and the most stable structures of Na+Hen clusters were determined using the basin-hopping method. Vibrational delocalization was accounted for using zero-point energy corrections at the harmonic or anharmonic levels, the latter being evaluated from quantum Monte Carlo simulations for spinless particles. From the static perspective, many-body effects are found to play a minor role, and the structures obtained reflect homogeneous covering up to n = 10, followed by polyicosahedral packing above this size, the cluster obtained at n = 12 appearing particularly stable. The cationic impurity binds the closest helium atoms sufficiently to negate vibrational delocalization at small sizes. However, this snowball effect is obliterated earlier than shell completion, the nuclear wavefunctions of 4HenNa+ with n = 5-7, and n > 10 already exhibiting multiple inherent structures. The decrease in the snowball size due to many-body effects is consistent with recent mass spectrometry measurements.

Issaoui, Noureddine; Abdessalem, Kawther; Ghalla, Houcine; Yaghmour, Saud Jamil; Calvo, Florent; Oujia, Brahim

2014-11-01

337

The solvation of the Na(+) ion in helium clusters has been studied theoretically using optimization methods. A many-body empirical potential was developed to account for Na(+)-He and polarization interactions, and the most stable structures of Na(+)He(n) clusters were determined using the basin-hopping method. Vibrational delocalization was accounted for using zero-point energy corrections at the harmonic or anharmonic levels, the latter being evaluated from quantum Monte Carlo simulations for spinless particles. From the static perspective, many-body effects are found to play a minor role, and the structures obtained reflect homogeneous covering up to n = 10, followed by polyicosahedral packing above this size, the cluster obtained at n = 12 appearing particularly stable. The cationic impurity binds the closest helium atoms sufficiently to negate vibrational delocalization at small sizes. However, this snowball effect is obliterated earlier than shell completion, the nuclear wavefunctions of (4)He(n)Na(+) with n = 5-7, and n?>?10 already exhibiting multiple inherent structures. The decrease in the snowball size due to many-body effects is consistent with recent mass spectrometry measurements. PMID:25381523

Issaoui, Noureddine; Abdessalem, Kawther; Ghalla, Houcine; Yaghmour, Saud Jamil; Calvo, Florent; Oujia, Brahim

2014-11-01

338

Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects

NASA Astrophysics Data System (ADS)

Experimentally measured electronic band gaps of atomically sharp straight and chevronlike armchair graphene nanoribbons (GNRs) adsorbed on a gold substrate are smaller than theoretically predicted quasiparticle band gaps of their free-standing counterparts [Linden , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.108.216801 108, 216801 (2012)]. The influence of the substrate on electronic properties of both straight and chevronlike GNRs is here investigated including many-body effects beyond semilocal density-functional theory. The predicted small electron transfer from a straight or chevronlike GNR to the gold surface is found to lead to a surface polarization at the GNR-metal interface responsible for a significant reduction of the quasiparticle band gap of the GNR. This reduction is quantified using a semiclassical image charge model. By considering both quasiparticle and surface polarization corrections, we obtain theoretical band gaps that are consistent with experimental ones for gold-supported GNRs.

Liang, Liangbo; Meunier, Vincent

2012-11-01

339

Probing the electronic structure of liquid water with many-body perturbation theory

NASA Astrophysics Data System (ADS)

We present a first-principles investigation of the electronic structure of liquid water based on many-body perturbation theory (MBPT), within the G0W0 approximation. The liquid quasiparticle band gap and the position of its valence band maximum and conduction band minimum with respect to vacuum were computed and it is shown that the use of MBPT is crucial to obtain results that are in good agreement with experiment. We found that the level of theory chosen to generate molecular dynamics trajectories may substantially affect the electronic structure of the liquid, in particular, the relative position of its band edges and redox potentials. Our results represent an essential step in establishing a predictive framework for computing the relative position of water redox potentials and the band edges of semiconductors and insulators.

Pham, T. Anh; Zhang, Cui; Schwegler, Eric; Galli, Giulia

2014-02-01

340

Ab Initio Many-Body Calculations Of Nucleon-Nucleus Scattering

We develop a new ab initio many-body approach capable of describing simultaneously both bound and scattering states in light nuclei, by combining the resonating-group method with the use of realistic interactions, and a microscopic and consistent description of the nucleon clusters. This approach preserves translational symmetry and Pauli principle. We outline technical details and present phase shift results for neutron scattering on {sup 3}H, {sup 4}He and {sup 10}Be and proton scattering on {sup 3,4}He, using realistic nucleon-nucleon (NN) potentials. Our A = 4 scattering results are compared to earlier ab initio calculations. We find that the CD-Bonn NN potential in particular provides an excellent description of nucleon-{sup 4}He S-wave phase shifts. We demonstrate that a proper treatment of the coupling to the n-{sup 10}Be continuum is successful in explaining the parity-inverted ground state in {sup 11}Be.

Quaglioni, S; Navratil, P

2008-12-17

341

A many-body problem with point interactions on two-dimensional manifolds

NASA Astrophysics Data System (ADS)

A non-perturbative renormalization of a many-body problem, where non-relativistic bosons living on a two-dimensional Riemannian manifold interact with each other via the two-body Dirac delta potential, is given by the help of the heat kernel defined on the manifold. After this renormalization procedure, the resolvent becomes a well-defined operator expressed in terms of an operator (called principal operator) which includes all the information about the spectrum. Then, the ground state energy is found in the mean-field approximation and we prove that it grows exponentially with the number of bosons. The renormalization group equation (or Callan-Symanzik equation) for the principal operator of the model is derived and the ? function is exactly calculated for the general case, which includes all particle numbers.

Erman, Fatih; Teoman Turgut, O.

2013-02-01

342

Many-body theory versus simulations for the pseudogap in the Hubbard model

NASA Astrophysics Data System (ADS)

The opening of a critical-fluctuation-induced pseudogap (or precursor pseudogap) in the one-particle spectral weight of the half-filled two-dimensional Hubbard model is discussed. This pseudogap, appearing in our Monte Carlo simulations, may be obtained from many-body techniques that use Green functions and vertex corrections that are at the same level of approximation. Self-consistent theories of the Eliashberg type (such as the fluctuation exchange approximation) use renormalized Green functions and bare vertices in a context where there is no Migdal theorem. They do not find the pseudogap, in quantitative and qualitative disagreement with simulations, suggesting these methods are inadequate for this problem. Differences between precursor pseudogaps and strong-coupling pseudogaps are also discussed.

Moukouri, S.; Allen, S.; Lemay, F.; Kyung, B.; Poulin, D.; Vilk, Y. M.; Tremblay, A.-M. S.

2000-03-01

343

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

344

NASA Astrophysics Data System (ADS)

New parameters of nearest-neighbor EAM (1N-EAM), n-th neighbor EAM (NN-EAM), and the second-moment approximation to the tight-binding (TB-SMA) potentials are obtained by fitting experimental data at different temperatures. In comparison with the available many-body potentials, our results suggest that the 1N-EAM potential with the new parameters is the best description of atomic interactions in studying the thermal expansion of noble metals. For mechanical properties, it is suggested that the elastic constants should be calculated in the experimental zero-stress states for all three potentials. Furthermore, for NNEAM and TB-SMA potentials, the calculated results approach the experimental data as the range of the atomic interaction increases from the first-neighbor to the sixth-neighbor distance.

Qi, Xin; Yan, Xue-Song; Yang, Lei

2010-10-01

345

NASA Astrophysics Data System (ADS)

We develop analytical tools and numerical methods for time evolving the total density matrix of the finite-size Anderson model. The model is composed of two finite metal grains, each prepared in canonical states of differing chemical potential and connected through a single electronic level (quantum dot or impurity). Coulomb interactions are either excluded all together or allowed on the dot only. We extend this basic model to emulate decohering and inelastic scattering processes for the dot electrons with the probe technique. Three methods, originally developed to treat impurity dynamics, are augmented to yield global system dynamics: the quantum Langevin equation method, the well-known fermionic trace formula and an iterative path integral approach. The latter accommodates interactions on the dot in a numerically exact fashion. We apply the developed techniques to two open topics in nonequilibrium many-body physics. (i) We explore the role of many-body electron-electron repulsion effects on the dynamics of the system. Results, obtained using exact path integral simulations, are compared with mean-field quantum Langevin equation predictions. (ii) We analyze aspects of quantum equilibration and thermalization in large quantum systems using the probe technique, mimicking elastic-dephasing effects and inelastic interactions on the dot. Here, unitary simulations based on the fermionic trace formula are accompanied by quantum Langevin equation calculations.

Kulkarni, Manas; Tiwari, Kunal L.; Segal, Dvira

2013-01-01

346

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

347

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

2014-01-27

348

Quantum Systems Bound by Gravity

NASA Astrophysics Data System (ADS)

Quantum systems contain charged particles around mini-holes called graviatoms. Electromagnetic and gravitational radiations for the graviatoms are calculated. Graviatoms with neutrino can form quantum macro-systems.

Fil'Chenkov, Michael L.; Kopylov, Sergey V.; Laptev, Yuri P.

2009-01-01

349

Quantum generalized Toda system

NASA Astrophysics Data System (ADS)

We construct a "spectral curve" for the generalized Toda system, which allows efficiently finding its quantization. In turn, the quantization is realized using the technique of the quantum characteristic polynomial for the Gaudin system and an appropriate Alder-Kostant-Symes reduction. We also discuss some relations of this result to the recent consideration of the Drinfeld Zastava space, the monopole space, and corresponding symmetries of the Borel Yangian.

Talalaev, D. V.

2012-05-01

350

Second-order many-body perturbation expansions of vibrational Dyson self-energies.

Second-order many-body perturbation theories for anharmonic vibrational frequencies and zero-point energies of molecules are formulated, implemented, and tested. They solve the vibrational Dyson equation self-consistently by taking into account the frequency dependence of the Dyson self-energy in the diagonal approximation, which is expanded in a diagrammatic perturbation series up to second order. Three reference wave functions, all of which are diagrammatically size consistent, are considered: the harmonic approximation and diagrammatic vibrational self-consistent field (XVSCF) methods with and without the first-order Dyson geometry correction, i.e., XVSCF[n] and XVSCF(n), where n refers to the truncation rank of the Taylor-series potential energy surface. The corresponding second-order perturbation theories, XVH2(n), XVMP2[n], and XVMP2(n), are shown to be rigorously diagrammatically size consistent for both total energies and transition frequencies, yield accurate results (typically within a few cm(-1) at n = 4 for water and formaldehyde) for both quantities even in the presence of Fermi resonance, and have access to fundamentals, overtones, and combinations as well as their relative intensities as residues of the vibrational Green's functions. They are implemented into simple algorithms that require only force constants and frequencies of the reference methods (with no basis sets, quadrature, or matrix diagonalization at any stage of the calculation). The rules for enumerating and algebraically interpreting energy and self-energy diagrams are elucidated in detail. PMID:23883014

Hermes, Matthew R; Hirata, So

2013-07-21

351

Second-order many-body perturbation expansions of vibrational Dyson self-energies

NASA Astrophysics Data System (ADS)

Second-order many-body perturbation theories for anharmonic vibrational frequencies and zero-point energies of molecules are formulated, implemented, and tested. They solve the vibrational Dyson equation self-consistently by taking into account the frequency dependence of the Dyson self-energy in the diagonal approximation, which is expanded in a diagrammatic perturbation series up to second order. Three reference wave functions, all of which are diagrammatically size consistent, are considered: the harmonic approximation and diagrammatic vibrational self-consistent field (XVSCF) methods with and without the first-order Dyson geometry correction, i.e., XVSCF[n] and XVSCF(n), where n refers to the truncation rank of the Taylor-series potential energy surface. The corresponding second-order perturbation theories, XVH2(n), XVMP2[n], and XVMP2(n), are shown to be rigorously diagrammatically size consistent for both total energies and transition frequencies, yield accurate results (typically within a few cm-1 at n = 4 for water and formaldehyde) for both quantities even in the presence of Fermi resonance, and have access to fundamentals, overtones, and combinations as well as their relative intensities as residues of the vibrational Green's functions. They are implemented into simple algorithms that require only force constants and frequencies of the reference methods (with no basis sets, quadrature, or matrix diagonalization at any stage of the calculation). The rules for enumerating and algebraically interpreting energy and self-energy diagrams are elucidated in detail.

Hermes, Matthew R.; Hirata, So

2013-07-01

352

Many-body effects are essential in a physically motivated CO2 force field.

We develop a physically motivated many-body force field for CO(2), incorporating explicit three-body interactions parameterized on the basis of two- and three-body symmetry adapted perturbation theory (SAPT) calculations. The potential is parameterized consistently with, and builds upon, our successful SAPT-based two-body CO(2) model ("Schmidt, Yu, and McDaniel" (SYM) model) [K. Yu, J. G. McDaniel, and J. R. Schmidt, J. Phys Chem B 115, 10054 (2011)]. We demonstrate that three-body interactions are essential to achieve an accurate description of bulk properties, and that previous two-body models have therefore necessarily exploited large error cancellations to achieve satisfactory results. The resulting three-body model exhibits excellent second/third virial coefficients and bulk properties over the phase diagram, yielding a nearly empirical parameter-free model. We show that this explicit three-body model can be converted into a computationally efficient, density/temperature-dependent two-body model that reduces almost exactly to our prior SYM model in the high-density limit. PMID:22280763

Yu, Kuang; Schmidt, J R

2012-01-21

353

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

354

The Role of Many-Body Dispersion Interactions in Molecular Crystal Polymorphism

NASA Astrophysics Data System (ADS)

Molecular crystals often have several polymorphs that are close in energy (few meV per molecule), but possess very different physical and chemical properties. Treating polymorphism from first principles has been a long standing problem because conventional density-functional theory (DFT) lacks a proper description of long-range dispersion interactions that govern the structure and energetics of molecular crystals. Here we assess the effect of the many-body dispersion (MBD) energy on the structure and relative energies of the polymorphs of benchmark molecular crystals: glycine, alanine, and para-diiodobenzene. This is accomplished by using the recently developed first-principles DFT+MBD method [A. Tkatchenko, R.A. DiStasio Jr., R. Car, M. Scheffler, submitted], based on the earlier Tkatchenko-Scheffler (TS) dispersion correction [PRL 102, 073005 (2009)]. We show that the non-additive MBD energy plays a crucial role in making qualitatively and quantitatively accurate predictions for the structure and relative energies of polymorphs.

Leiserowitz, Leslie; Marom, Noa; Distasio, Robert A., Jr.; Atalla, Viktor; Levchenko, Sergey; Kapishnikov, Sergey; Chelikowsky, James R.; Tkatchenko, Alexandre

2012-02-01

355

Many-body effects are essential in a physically motivated CO2 force field

NASA Astrophysics Data System (ADS)

We develop a physically motivated many-body force field for CO2, incorporating explicit three-body interactions parameterized on the basis of two- and three-body symmetry adapted perturbation theory (SAPT) calculations. The potential is parameterized consistently with, and builds upon, our successful SAPT-based two-body CO2 model ("Schmidt, Yu, and McDaniel" (SYM) model) [K. Yu, J. G. McDaniel, and J. R. Schmidt, J. Phys Chem B 115, 10054 (2011), 10.1021/jp204563n]. We demonstrate that three-body interactions are essential to achieve an accurate description of bulk properties, and that previous two-body models have therefore necessarily exploited large error cancellations to achieve satisfactory results. The resulting three-body model exhibits excellent second/third virial coefficients and bulk properties over the phase diagram, yielding a nearly empirical parameter-free model. We show that this explicit three-body model can be converted into a computationally efficient, density/temperature-dependent two-body model that reduces almost exactly to our prior SYM model in the high-density limit.

Yu, Kuang; Schmidt, J. R.

2012-01-01

356

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 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. PMID:23206017

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

2012-11-28

357

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

358

A many-body dissipative particle dynamics study of spontaneous capillary imbibition and drainage.

The spontaneous capillary imbibition and drainage processes are studied using many-body dissipative particle dynamics (MDPD) simulations. By adjusting the solid-liquid interaction parameter, different wetting behavior between the fluid and the capillary wall, corresponding to the static contact angle ranging from 0 degrees to 180 degrees, can be controllably simulated. For wetting fluids, the spontaneous capillary imbibition (SCI) is evident in MDPD simulations. It is found that, whereas the corrected Lucas-Washburn equation (taking into account the dynamic contact angle and the fluid inertia) can well describe the SCI simulation result for the completely wetting fluid, it deviates, to a notable degree, from the results of partly wetting fluids. In particular, this corrected equation cannot be used to describe the spontaneous capillary drainage (SCD) processes. To solve this problem, we derive an improved form of the Lucas-Washburn equation, in which the slip effects of fluid particles at the capillary wall are treated. Such an improved equation turns out to be capable of describing all the simulation results of both the SCI and the SCD. These findings provide new insights into the SCI and SCD processes and improve the mathematical base. PMID:20225880

Chen, Chen; Gao, Chunning; Zhuang, Lin; Li, Xuefeng; Wu, Pingcang; Dong, Jinfeng; Lu, Juntao

2010-06-15

359

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

NASA Astrophysics Data System (ADS)

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.; Zelevinsky, V. G.

2014-10-01

360

NASA Astrophysics Data System (ADS)

Many electronic systems (e.g., the cuprate superconductors and heavy fermions) exhibit striking features in their dynamical response over a prominent range of experimental parameters. While there are some empirical suggestions of particular increasing length scales that accompany such transitions in some cases, this identification is not universal and in numerous instances no large correlation length is evident. To better understand, as a matter of principle, such behavior in quantum systems, we extend a known mapping (earlier studied in stochastic or supersymmetric quantum mechanics) between finite temperature classical Fokker-Planck systems and related quantum systems at zero temperature to include general nonequilibrium dynamics. Unlike Feynman mappings or stochastic quantization methods in field theories (as well as more recent holographic type dualities), the classical systems that we consider and their quantum duals reside in the same number of space-time dimensions. The upshot of our very broad and rigorous result is that a Wick rotation exactly relates (i) the dynamics in general finite temperature classical dissipative systems to (ii) zero temperature dynamics in the corresponding dual many-body quantum systems. Using this correspondence, we illustrate that, even in the absence of imposed disorder, many continuum quantum fluid systems (and possible lattice counterparts) may exhibit a zero-point “quantum dynamical heterogeneity” wherein the dynamics, at a given instant, is spatially nonuniform. While the static length scales accompanying this phenomenon do not seem to exhibit a clear divergence in standard correlation functions, the length scale of the dynamical heterogeneities can increase dramatically. We further study “quantum jamming” and illustrate how a hard-core bosonic system can undergo a zero temperature quantum critical metal-to-insulator-type transition with an extremely large effective dynamical exponent z>4 that is consistent with length scales that increase far more slowly than the relaxation time as a putative critical transition is approached. Similar results may hold for spin-liquid-type as well as interacting electronic systems. We suggest ways to analyze experimental data in order to adduce such phenomena. Our approach may be used to analyze other quenched quantum systems.

Nussinov, Zohar; Johnson, Patrick; Graf, Matthias J.; Balatsky, Alexander V.

2013-05-01

361

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

362

Many-body effects in valleytronics: direct measurement of valley lifetimes in single-layer MoS2.

Single layer MoS2 is an ideal material for the emerging field of "valleytronics" in which charge carrier momentum can be finely controlled by optical excitation. This system is also known to exhibit strong many-body interactions as observed by tightly bound excitons and trions. Here we report direct measurements of valley relaxation dynamics in single layer MoS2, by using ultrafast transient absorption spectroscopy. Our results show that strong Coulomb interactions significantly impact valley population dynamics. Initial excitation by circularly polarized light creates electron-hole pairs within the K-valley. These excitons coherently couple to dark intervalley excitonic states, which facilitate fast electron valley depolarization. Hole valley relaxation is delayed up to about 10 ps due to nondegeneracy of the valence band spin states. Intervalley biexciton formation reveals the hole valley relaxation dynamics. We observe that biexcitons form with more than an order of magnitude larger binding energy compared to conventional semiconductors. These measurements provide significant insight into valley specific processes in 2D semiconductors. Hence they could be used to suggest routes to design semiconducting materials that enable control of valley polarization. PMID:24325650

Mai, Cong; Barrette, Andrew; Yu, Yifei; Semenov, Yuriy G; Kim, Ki Wook; Cao, Linyou; Gundogdu, Kenan

2014-01-01

363

NASA Astrophysics Data System (ADS)

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.

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

2013-11-01

364

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

365

Spectroscopic studies in open quantum systems

The spectroscopic properties of an open quantum system are determined by the eigenvalues and eigenfunctions of an effective Hamiltonian H consisting of the Hamiltonian H_0 of the corresponding closed system and a non-Hermitian correction term W arising from the interaction via the continuum of decay channels. The eigenvalues E_R of H are complex. They are the poles of the S-matrix and provide both the energies and widths of the states. We illustrate the interplay between Re(H) and Im(H) by means of the different interference phenomena between two neighboured resonance states. Level repulsion along the real axis appears if the interaction is caused mainly by Re(H) while a bifurcation of the widths appears if the interaction occurs mainly due to Im(H). We then calculate the poles of the S-matrix and the corresponding wavefunctions for a rectangular microwave resonator with a scatter as a function of the area of the resonator as well as of the degree of opening to a guide. The calculations are performed by using the method of exterior complex scaling. Re(W) and Im(W) cause changes in the structure of the wavefunctions which are permanent, as a rule. At full opening to the lead, short-lived collective states are formed together with long-lived trapped states. The wavefunctions of the short-lived states at full opening to the lead are very different from those at small opening. The resonance picture obtained from the microwave resonator shows all the characteristic features known from the study of many-body systems in spite of the absence of two-body forces. The poles of the S-matrix determine the conductance of the resonator. Effects arising from the interplay between resonance trapping and level repulsion along the real axis are not involved in the statistical theory.

I. Rotter; E. Persson; K. Pichugin; P. Seba

2000-02-14

366

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

367

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 energy differences demonstrates a quantita- tive 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 a new avenue for describing energetics with quantum Monte Carlo methods which have traditionally been limited to total energies.

Krogel, Jaron T [ORNL] [ORNL; Kim, Jeongnim [ORNL] [ORNL; Reboredo, Fernando A [ORNL] [ORNL

2014-01-01

368

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

369

Classical command of quantum systems.

Quantum computation and cryptography both involve scenarios in which a user interacts with an imperfectly modelled or 'untrusted' system. It is therefore of fundamental and practical interest to devise tests that reveal whether the system is behaving as instructed. In 1969, Clauser, Horne, Shimony and Holt proposed an experimental test that can be passed by a quantum-mechanical system but not by a system restricted to classical physics. Here we extend this test to enable the characterization of a large quantum system. We describe a scheme that can be used to determine the initial state and to classically command the system to evolve according to desired dynamics. The bipartite system is treated as two black boxes, with no assumptions about their inner workings except that they obey quantum physics. The scheme works even if the system is explicitly designed to undermine it; any misbehaviour is detected. Among its applications, our scheme makes it possible to test whether a claimed quantum computer is truly quantum. It also advances towards a goal of quantum cryptography: namely, the use of 'untrusted' devices to establish a shared random key, with security based on the validity of quantum physics. PMID:23619692

Reichardt, Ben W; Unger, Falk; Vazirani, Umesh

2013-04-25

370

We investigate the role of quantum mechanical effects in the central stability concept of evolutionary game theory i.e. an Evolutionarily Stable Strategy (ESS). Using two and three-player symmetric quantum games we show how the presence of quantum phenomenon of entanglement can be crucial to decide the course of evolutionary dynamics in a population of interacting individuals.

A. Iqbal; A. H. Toor

2002-01-10

371

NASA Astrophysics Data System (ADS)

We investigate the role of quantum mechanical effects in the central stability concept of evolutionary game theory, i.e., an evolutionarily stable strategy (ESS). Using two and three-player symmetric quantum games we show how the presence of quantum phenomenon of entanglement can be crucial to decide the course of evolutionary dynamics in a population of interacting individuals.

Iqbal, A.; Toor, A. H.

2002-03-01

372

Exploring quantum non-locality with de Broglie-Bohm trajectories.

Here in this paper, it is shown how the quantum nonlocality reshapes probability distributions of quantum trajectories in configuration space. By variationally minimizing the ground state energy of helium atom, we show that there exists an optimal nonlocal quantum correlation length which also minimizes the mean integrated square error of the smooth trajectory ensemble with respect to the exact many-body wave function. The nonlocal quantum correlation length can be used for studies of both static and driven many-body quantum systems. PMID:22280753

Christov, Ivan P

2012-01-21

373

Quantum information science as an approach to complex quantum systems

What makes quantum information science a science? These notes explore the idea that quantum information science may offer a powerful approach to the study of complex quantum systems. We discuss how to quantify complexity in quantum systems, and argue that there are two qualitatively different types of complex quantum system. We also explore ways of understanding complex quantum dynamics by quantifying the strength of a quantum dynamical operation as a physical resource. This is the text for a talk at the ``Sixth International Conference on Quantum Communication, Measurement and Computing'', held at MIT, July 2002. Viewgraphs for the talk may be found at http://www.qinfo.org/talks/.

Michael A. Nielsen

2002-08-13

374

Many-body processes in atomic and molecular physics. Progress report

A proposal is presented for theoretical efforts towards the following projects: (1) carry out rotational predissociation lifetime calculations of several van der Waals molecules for which accurate potential energy surfaces were obtained recently by van der Waals molecular spectroscopic methods; (2) development and extension of the complex coordinate - coupled channel formalism to vibrational predissociation studies; (3) Floquet theory study of the quantum dynamics of multiphoton excitation of vibrational-rotational states of small molecules by laser light; (4) development and extension of the method of complex quasi-vibrational energy formalism to the study of intense field multiphoton dissociation of diatomic molecules and to photodissociation process in the presence of shape resonances; (5) investigation of the external field effects in multiphoton excitation and dissociation of small molecules. Depending on time and resources, several other projects may also be pursued. A detailed discussion covering these proposed projects is presented.

Chu, S.I.

1981-01-01

375

Quantum Effects in Biological Systems

NASA Astrophysics Data System (ADS)

The debates about the trivial and non-trivial effects in biological systems have drawn much attention during the last decade or so. What might these non-trivial sorts of quantum effects be? There is no consensus so far among the physicists and biologists regarding the meaning of "non-trivial quantum effects". However, there is no doubt about the implications of the challenging research into quantum effects relevant to biology such as coherent excitations of biomolecules and photosynthesis, quantum tunneling of protons, van der Waals forces, ultrafast dynamics through conical intersections, and phonon-assisted electron tunneling as the basis for our sense of smell, environment assisted transport of ions and entanglement in ion channels, role of quantum vacuum in consciousness. Several authors have discussed the non-trivial quantum effects and classified them into four broad categories: (a) Quantum life principle; (b) Quantum computing in the brain; (c) Quantum computing in genetics; and (d) Quantum consciousness. First, I will review the above developments. I will then discuss in detail the ion transport in the ion channel and the relevance of quantum theory in brain function. The ion transport in the ion channel plays a key role in information processing by the brain.

Roy, Sisir

2014-07-01

376

The results of a study of many-body phenomena in gold and copper nanoclusters are presented. The measured conductivity as a function of nanocluster height h was found to have a minimum at h {approx} 0.6 nm. Conductivity was local in character at nanocluster sizes l {<=} l{sub c} {approx} 2.5 nm. Changes in core hole screening and an anomalous increase in the Anderson singularity index {alpha} in gold and copper nanoclusters could be caused by changes in permittivity from metallic ({epsilon} {sup {yields}} {infinity}) to nonmetallic ({epsilon} {proportional_to} l{sup 2}). The many-body phenomenon characteristics observed in the X-ray photoelectron and tunnel spectra of gold and copper nanoclusters as the size of the nanoclusters changed led us to suggest changes in the band structure of the nanoclusters and, therefore, their possible transition from the metallic to nonmetallic state.

Borman, V. D.; Borisyuk, P. V.; Lebid'ko, V. V.; Pushkin, M. A.; Tronin, V. N.; Troyan, V. I. [Moscow Engineering Physics Institute (State University) (Russian Federation)], E-mail: Troyan@mephi.ru; Antonov, D. A.; Filatov, D. O. [Nizhni Novgorod State University (Russian Federation)

2006-02-15

377

Many-body calculations on molecules with second-row atoms: H2S and H2CS

The ionization potentials of H2S and H2CS are calculated by a many-body Green’s function method. Correlation energy changes in the diffuse part of the charge cloud require an extension of the polarization function basis compared to the first row atoms. When f-type functions are included all calculated ionization potentials of H2S agree with the experimental values to within 0.1 eV.

W. von Niessen; L. S. Cederbaum; W. Domcke; G. H. F. Diercksen

1977-01-01

378

Many-body calculations on molecules with second-row atoms: H2S and H2CS

The ionization potentials of H2S and H2CS are calculated by a many-body Green's function method. Correlation energy changes in the diffuse part of the charge cloud require an extension of the polarization function basis compared to the first row atoms. When f-type functions are included all calculated ionization potentials of H2S agree with the experimental values to within 0.1 eV.

W. von Niessen; L. S. Cederbaum; W. Domcke; G. H. F. Diercksen

1977-01-01

379

Quantum models of classical systems

Quantum statistical methods that are commonly used for the derivation of classical thermodynamic properties are extended to classical mechanical properties. The usual assumption that every real motion of a classical mechanical system is represented by a sharp trajectory is not testable and is replaced by a class of fuzzy models, the so-called maximum entropy (ME) packets. The fuzzier are the compared classical and quantum ME packets, the better seems to be the match between their dynamical trajectories. Classical and quantum models of a stiff rod will be constructed to illustrate the resulting unified quantum theory of thermodynamic and mechanical properties.

Petr Hajicek

2014-12-12

380

Classical equations for quantum systems

The origin of the phenomenological deterministic laws that approximately govern the quasiclassical domain of familiar experience is considered in the context of the quantum mechanics of closed systems such as the universe as a whole. A formulation of quantum mechanics is used that predicts probabilities for the individual members of a set of alternative coarse-grained histories that decohere, which means

Murray Gell-Mann; James B. Hartle

1993-01-01

381

Symmetric periodic orbits of the many-body problem. Resonance and parade of planets.

NASA Astrophysics Data System (ADS)

The motion of a mechanical system consisting of n+1 material points attracting one another according to Newton`s law is investigated. A reversible system of differential equations is derived for the motion of n points relative to the "main body". A small parameter is introduced. When this parameter is equated to zero, each of the n points is attracted by the "main body" only, and the generating system splits into n two-body problems. Two types of generating periodic orbits, symmetric about the fixed set M of an automorphism, are considered: (1) with both eccentricities and inclinations equal to zero; (2) with inclinations equal to zero. It is shown that such orbits can be continued to non-zero values of the small parameter, as a result of which the system has periodic solutions of the first and second kinds. All these orbits are resonant: the mean motions of the bodies relate to one another as integers. In addition, at times that are multiples of the half-period the bodies are situated along a straight line, thus forming a "parade of planets". The results also apply to a "Sun-planet-satellite" type system. In the general theoretical part of the paper two methods are proposed for solving the problem of extending symmetric periodic motions to non-zero parameter values, and an upper bound is estimated for the domain of continuability.

Tkhai, V. N.

382

STUDENT PAPER: Solving the Many-Body Polarization Problem on GPUs: Application to MOFs

NSDL National Science Digital Library

Massively Parallel Monte Carlo, an in-house computer code available at http://code.google.com/p/mpmc/, has been successfully utilized to simulate interactions between gas phase sorbates and various metal-organic materials. In this regard, calculations involving polarizability were found to be critical, and computationally expensive. Although GPGPU routines have increased the speed of these calculations immensely, in its original state, the program was only able to leverage a GPUÃÂÃÂs power on small systems. In order to study larger and evermore complex systems, the program model was modified such that limitations related to system size were relaxed while performance was either increased or maintained. In this project, parallel programming techniques learned from the Blue Waters Undergraduate Petascale Education Program were employed to increase the efficiency and expand the utility of this code.

Tudor, Brant; Space, Brian

383

Many-body correlations of electrostatically trapped dipolar excitons G. J. Schinner,1

. These dipolar excitons, pre-cooled to lattice temperatures down to 240 mK and having a lifetime of order 100 ns with a macroscopic wave func- tion. BEC has been observed in different systems such as ultra cold diluted atomic- tice temperatures of 240 mK and to study their photo- luminescence (PL) at widely tunable IX densities

Ludwig-Maximilians-UniversitÃ¤t, MÃ¼nchen

384

Many-body Landau-Zener dynamics in coupled 1D Bose liquids

NASA Astrophysics Data System (ADS)

Non-equilibrium dynamics attracted a lot of recent interest. The departure from standard statistical mechanics is studied in a large variety of systems, at the heart of which lies the very fundamental setup of two levels undergoing an anti-crossing, knowing as the famous Landau-Zener (LZ) problem. Non-interacting atoms in a double well with tunable energy difference provide a generic two-mode system to study the dynamics of a LZ sweep. We experimentally realize a generalized LZ problem in an array of pairwise coupled tubes with interacting ultracold ^87Rb atoms in an optical superlattice potential. We investigate the impact of interactions and dimensionality on the sweep fidelity for sweeps in the ground state and in the excited state. The results show that interactions in the tubes improve the fidelity for sweeps in the ground state. For sweeps in the excited state we find relaxation of the system which can be explained in terms of one-dimensional low-energy excitations along the tubes, providing an intrinsic bath for thermalization.

Chen, Yu-Ao; Trotzky, Stefan; Schnorrberger, Ute; Huber, Sebastian; Altman, Ehud; Bloch, Immanuel

2010-03-01

385

Many-Body Electrostatic Forces Between Colloidal Particles at Vanishing Ionic Strength

Electrostatic forces between small groups of colloidal particles are measured using blinking optical tweezers. When the electrostatic screening length is significantly larger than the particle radius, forces are found to be non-pairwise additive. Both pair and multi-particle forces are well described by the linearized Poisson-Boltzmann equation with constant potential boundary conditions. These findings may play an important role in understanding the structure and stability of a wide variety of systems, from micron-sized particles in oil to aqueous nanocolloids.

Jason W. Merrill; Sunil K. Sainis; Eric R. Dufresne

2009-07-03

386

Many-body state engineering using measurements and fixed unitary dynamics

We develop a scheme to prepare a desired state or subspace in high-dimensional Hilbert-spaces using repeated applications of a single static projection operator onto the desired target and fixed unitary dynamics. Benchmarks against other control schemes, performed on generic Hamiltonians and on Bose-Hubbard systems, establish the competitiveness of the method. As a concrete application of the control of mesoscopic atomic samples in optical lattices we demonstrate the near deterministic preparation of Schr\\"{o}dinger cat states of all atoms residing on either the odd or the even sites.

Mads Kock Pedersen; Jens Jakob W. H. Sørensen; Malte C. Tichy; Jacob F. Sherson

2014-06-03

387

Systematic reduction of sign errors in many-body calculations of atoms and molecules

NASA Astrophysics Data System (ADS)

We apply the self-healing diffusion Monte Carlo algorithm (SHDMC) [Phys. Rev. B 79 195117 (2009), ibid. 80 125110 (2009)] to the calculation of ground states of atoms and molecules. By comparing with configuration interaction results we show the method yields systematic convergence towards the exact ground state wave function and reduction of the fixed-node DMC sign error. We present results for atoms and light molecules, obtaining, e.g. the binding of N2 to chemical accuracy. Moreover, we demonstrate that the algorithm is robust enough to be used for the systems as large as the fullerene C20 starting from a set of random coefficients. SHDMC thus constitutes a practical method for systematically reducing the Fermion sign problem in electronic structure calculations. Research sponsored by the ORNL LDRD program (MB), U.S. DOE BES Divisions of Materials Sciences & Engineering (FAR, MLT) and Scientific User Facilities (PRCK). LLNL research was performed under U.S. DOE contract DE-AC52-07NA27344 (RQH).

Kent, P. R. C.; Bajdich, M.; Tiago, M. L.; Hood, R. Q.; Reboredo, F. A.

2010-03-01

388

Computational Studies of [Bmim][PF6]/n-Alcohol Interfaces with Many-Body Potentials

In this paper, we present the results from molecular-dynamics simulations of the equilibrium properties of liquid/liquid interfaces of room temperature ionic liquid [bmim][PF6] and simple alcohols (i.e., methanol, 1-butanol, and 1-hexanol) at room temperature. Polarizable potential models are employed to describe the interactions among species. Results from our simulations show stable interfaces between the ionic liquid and n-alcohols, and we found that the interfacial widths decrease from methanol to 1-butanol systems, and then increase for 1-hexanol interfaces. Angular distribution analysis reveals that the interface induces a strong orientational order of [bmim] and n-alcohol molecules near the interface, with [bmim] extending its butyl group into the alcohol phase while the alcohol has the OH group pointing into the ion liquid region, which is consistent with the recent sum-frequency-generation experiments. We found the interface to have a significant influence on the dynamics of ionic liquids and n-alcohols. The orientational autocorrelation functions illustrate that [bmim] rotate more freely near the interface than in the bulk, while the rotation of n-alcohol is hindered at the interface. Additionally, the time scale associated with the diffusion along the interfacial direction is found to be faster for [bmim] but slowed down for n-alcohols approaching the interface. We also calculate the dipole moment of n-alcohols as a function of the distance normal to the interface. We found that, even though methanol and 1-butanol have different dipole moments in bulk phase, they reach a similar value at the interface. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the Department of Energy by Battelle. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.

Chang, Tsun-Mei; Dang, Liem X.

2014-09-04

389

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

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

2010-01-01

390

We review our results on a mathematical dynamical theory for observables for open many-body quantum nonlinear bosonic systems for a very general class of Hamiltonians. We argue that for open quantum nonlinear systems in the deep quasi-classical region, important quantum effects survive even after and relaxation processes take place. Estimates are derived which demonstrate that for a wide class of nonlinear quantum dynamical systems interacting with the environment, and which are close to the corresponding classical systems, quantum effects still remain important and can be observed, for example, in the frequency Fourier spectrum of the dynamical observables and in the corresponding spectral density of the noise. These preliminary estimates are presented for Bose-Einstein condensates, low temperature mechanical resonators, and nonlinear optical systems prepared in large amplitude coherent states.

Berman, G P; Dalvit, D A R; Berman, Gennady P.; Borgonovi, Fausto; Dalvit, Diego A.R.

2006-01-01

391

Capacitive interactions and Kondo effect tuning in double quantum impurity systems

NASA Astrophysics Data System (ADS)

We present a study of the correlated transport regimes of a double quantum impurity system with mutual capacitive interactions. Such system can be implemented by a double quantum dot arrangement or by a quantum dot and nearby quantum point contact, with independently connected sets of metallic terminals. Many-body spin correlations arising within each dot-lead subsystem give rise to the Kondo effect under appropriate conditions. The otherwise independent Kondo ground states may be modified by the capacitive coupling, decisively modifying the ground state of the double quantum impurity system. We analyze this coupled system through variational methods and the numerical renormalization group technique. Our results reveal a strong dependence of the coupled system ground state on the electron-hole asymmetries of the individual subsystems, as well as on their hybridization strengths to the respective reservoirs. The electrostatic repulsion produced by the capacitive coupling produces an effective shift of the individual energy levels toward higher energies, with a stronger effect on the "shallower" subsystem (that closer to resonance with the Fermi level), potentially pushing it out of the Kondo regime and dramatically changing the transport properties of the system. The effective remote gating that this entails is found to depend nonlinearly on the capacitive coupling strength, as well as on the independent subsystem levels. The analysis we present here of this mutual interaction should be important to fully characterize transport through such coupled systems.

Ruiz-Tijerina, David A.; Vernek, E.; Ulloa, Sergio E.

2014-07-01

392

Contextual logic for quantum systems

In this work we build a quantum logic that allows us to refer to physical magnitudes pertaining to different contexts from a fixed one without the contradictions with quantum mechanics expressed in no-go theorems. This logic arises from considering a sheaf over a topological space associated to the Boolean sublattices of the ortholattice of closed subspaces of the Hilbert space of the physical system. Differently to standard quantum logics, the contextual logic maintains a distributive lattice structure and a good definition of implication as a residue of the conjunction.

Graciela Domenech; Hector Freytes

2007-02-02

393

Many-body effects on the structures and stability of Ba²?Xe(n) (n = 1-39, 54) clusters.

The structures and relative stabilities of mixed Ba(2+)Xe(n) (n = 1-39, 54) clusters have been theoretically studied using basin-hopping global optimization. Analytical potential energy surfaces were constructed from ab initio or experimental data, assuming either purely additive interactions or including many-body polarization effects and the mutual contribution of self-consistent induced dipoles. For both models the stable structures are characterized by the barium cation being coated by a shell of xenon atoms, as expected from simple energetic arguments. Icosahedral packing is dominantly found, the exceptional stability of the icosahedral motif at n = 12 being further manifested at the size n = 32 where the basic icosahedron is surrounded by a dodecahedral cage, and at n = 54 where the transition to multilayer Mackay icosahedra has occurred. Interactions between induced dipoles generally tend to decrease the Xe-Xe binding, leading to different solvation patterns at small sizes but also favoring polyicosahedral growth. Besides attenuating relative energetic stability, many-body effects affect the structures by expanding the clusters by a few percents and allowing them to deform more. PMID:25338897

Abdessalem, Kawther; Habli, Héla; Ghalla, Houcine; Yaghmour, Saud Jamil; Calvo, Florent; Oujia, Brahim

2014-10-21

394

NASA Astrophysics Data System (ADS)

The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V.M. Shabaev et al., Phys. Rev. Lett. 93 (2004) 130405] is extended to problems with a non-local spherically-symmetric Dirac-Hartree-Fock potential. We implement the DKB method using B-spline basis sets and compare its performance with the widely-employed approach of Notre Dame (ND) group [W.R. Johnson, S.A. Blundell, J. Sapirstein, Phys. Rev. A 37 (1988) 307-315]. We compare the performance of the ND and DKB methods by computing various properties of Cs atom: energies, hyperfine integrals, the parity-non-conserving amplitude of the 6s-7s transition, and the second-order many-body correction to the removal energy of the valence electrons. We find that for a comparable size of the basis set the accuracy of both methods is similar for matrix elements accumulated far from the nuclear region. However, for atomic properties determined by small distances, the DKB method outperforms the ND approach. In addition, we present a strategy for optimizing the size of the basis sets by choosing progressively smaller number of basis functions for increasingly higher partial waves. This strategy exploits suppression of contributions of high partial waves to typical many-body correlation corrections.

Beloy, Kyle; Derevianko, Andrei

2008-09-01

395

Many-body effects on the structures and stability of Ba2+Xen (n = 1-39, 54) clusters

NASA Astrophysics Data System (ADS)

The structures and relative stabilities of mixed Ba2+Xen (n = 1-39, 54) clusters have been theoretically studied using basin-hopping global optimization. Analytical potential energy surfaces were constructed from ab initio or experimental data, assuming either purely additive interactions or including many-body polarization effects and the mutual contribution of self-consistent induced dipoles. For both models the stable structures are characterized by the barium cation being coated by a shell of xenon atoms, as expected from simple energetic arguments. Icosahedral packing is dominantly found, the exceptional stability of the icosahedral motif at n = 12 being further manifested at the size n = 32 where the basic icosahedron is surrounded by a dodecahedral cage, and at n = 54 where the transition to multilayer Mackay icosahedra has occurred. Interactions between induced dipoles generally tend to decrease the Xe-Xe binding, leading to different solvation patterns at small sizes but also favoring polyicosahedral growth. Besides attenuating relative energetic stability, many-body effects affect the structures by expanding the clusters by a few percents and allowing them to deform more.

Abdessalem, Kawther; Habli, Héla; Ghalla, Houcine; Yaghmour, Saud Jamil; Calvo, Florent; Oujia, Brahim

2014-10-01

396

We review our results on a mathematical dynamical theory for observables for open many-body quantum nonlinear bosonic systems for a very general class of Hamiltonians. We show that non-quadratic (nonlinear) terms in a Hamiltonian provide a singular "quantum" perturbation for observables in some "mesoscopic" region of parameters. In particular, quantum effects result in secular terms in the dynamical evolution, that grow in time. We argue that even for open quantum nonlinear systems in the deep quasi-classical region, these quantum effects can survive after decoherence and relaxation processes take place. We demonstrate that these quantum effects in open quantum systems can be observed, for example, in the frequency Fourier spectrum of the dynamical observables, or in the corresponding spectral density of noise. Estimates are presented for Bose-Einstein condensates, low temperature mechanical resonators, and nonlinear optical systems prepared in large amplitude coherent states. In particular, we show that for Bose-Einstein condensate systems the characteristic time of deviation of quantum dynamics for observables from the corresponding classical dynamics coincides with the characteristic time-scale of the well-known quantum nonlinear effect of phase diffusion.

Gennady P. Berman; Fausto Borgonovi; Diego A. R. Dalvit

2008-01-29

397

Discerning "indistinguishable" quantum systems

In a series of recent papers, Simon Saunders, Fred Muller and Michael Seevinck have collectively argued, against the philosophy of quantum mechanics folklore, that some non-trivial version of Leibniz's principle of the identity of indiscernibles is upheld in quantum mechanics. They argue that all particles -- fermions, paraparticles, anyons, even bosons -- may be weakly discerned by some physical relation. Here I show that their arguments make illegitimate appeal to non-symmetric, i.e. permutation-non-invariant, quantities, and that therefore their conclusions do not go through. However, I show that alternative, symmetric quantities may be found to do the required work. I conclude that the Saunders-Muller-Seevinck heterodoxy can be saved after all.

Adam Caulton

2014-08-31

398

Applications of Feedback Control in Quantum Systems

We give an introduction to feedback control in quantum systems, as well as an overview of the variety of applications which have been explored to date. This introductory review is aimed primarily at control theorists unfamiliar with quantum mechanics, but should also be useful to quantum physicists interested in applications of feedback control. We explain how feedback in quantum systems

Kurt Jacobs

2006-01-01

399

Quantum information processing in mesoscopic systems

introduce the Quantum Dots as the solid state system that will primarily be used as the hardware of quantum computation in quantum dots is described. The principal sources of decoherence and the measurementQuantum information processing in mesoscopic systems Jose Luis Garcia Coello A dissertation

Guillas, Serge

400

We study the distribution of the Schmidt coefficients of the reduced density matrix of a quantum system in a pure state. By applying general methods of statistical mechanics, we introduce a fictitious temperature and a partition function and translate the problem in terms of the distribution of the eigenvalues of random matrices. We investigate the appearance of two phase transitions, one at a positive temperature, associated with very entangled states, and one at a negative temperature, signaling the appearance of a significant factorization in the many-body wave function. We also focus on the presence of metastable states (related to two-dimensional quantum gravity) and study the finite size corrections to the saddle point solution.

De Pasquale, A. [Dipartimento di Fisica, Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); MECENAS, Universita Federico II di Napoli, Via Mezzocannone 8, I-80134 Napoli (Italy); Facchi, P. [INFN, Sezione di Bari, I-70126 Bari (Italy); Dipartimento di Matematica, Universita di Bari, I-70125 Bari (Italy); Parisi, G. [Dipartimento di Fisica, Universita di Roma 'La Sapienza', Piazzale Aldo Moro 2, I-00185 Roma (Italy); Centre for Statistical Mechanics and Complexity (SMC), CNR-INFM, I-00185 Roma, Italy INFN Sezione di Roma, I-00185 Roma (Italy); Pascazio, S. [Dipartimento di Fisica, Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Scardicchio, A. [Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, I-34014 Trieste (Italy); INFN, Sezione di Trieste, I-34014 Trieste (Italy)

2010-05-15

401

NASA Astrophysics Data System (ADS)

Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. The demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions.

Savukov, I. M.; Filin, D. V.

2014-12-01

402

NASA Astrophysics Data System (ADS)

We study the neutral singlet excitations of the zinc-tetraphenylporphyrin and C70-fullerene donor-acceptor complex within the many-body Green's-function GW and Bethe-Salpeter approaches. The lowest transition is a charge-transfer excitation between the donor and the acceptor with an energy in excellent agreement with recent constrained density functional theory calculations. Beyond the lowest charge-transfer state, which can be determined with simple electrostatic models that we validate, the Bethe-Salpeter approach provides the full excitation spectrum. We evidence the existence of hot electron-hole states which are resonant in energy with the lowest donor intramolecular excitation and show a hybrid intramolecular and charge-transfer character, favoring the transition towards charge separation. Such findings, and the ability to describe accurately both low-lying and excited charge-transfer states, are important steps in the process of discriminating “cold” versus “hot” exciton dissociation processes.

Duchemin, Ivan; Blase, Xavier

2013-06-01

403

The excited states of small-diameter diamond nanoparticles in the gas phase are studied using the GW method and Bethe-Salpeter equation (BSE) within the ab initio many-body perturbation theory. The calculated ionization potentials and optical gaps are in agreement with experimental results, with the average error about 0.2 eV. The electron affinity is negative and the lowest unoccupied molecular orbital is rather delocalized. Precise determination of the electron affinity requires one to take the off-diagonal matrix elements of the self-energy operator into account in the GW calculation. BSE calculations predict a large exciton binding energy which is an order of magnitude larger than that in the bulk diamond.

Yin, Huabing; Ma, Yuchen, E-mail: myc@sdu.edu.cn; Mu, Jinglin; Liu, Chengbu, E-mail: cbliu@sdu.edu.cn [School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Hao, Xiaotao [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Yi, Zhijun [Department of Physics, China University of Mining and Technology, Xuzhou 221116 (China)

2014-06-07

404

Orbital-specific Tunability of Many-Body Effects in Bilayer Graphene by Gate Bias and Metal Contact

Graphene, a 2D crystal bonded by ? and ? orbitals, possesses excellent electronic properties that are promising for next-generation optoelectronic device applications. For these a precise understanding of quasiparticle behaviour near the Dirac point (DP) is indispensable because the vanishing density of states (DOS) near the DP enhances many-body effects, such as excitonic effects and the Anderson orthogonality catastrophe (AOC) which occur through the interactions of many conduction electrons with holes. These effects renormalize band dispersion and DOS, and therefore affect device performance. For this reason, we have studied the impact of the excitonic effects and the AOC on graphene device performance by using X-ray absorption spectromicroscopy on an actual graphene transistor in operation. Our work shows that the excitonic effect and the AOC are tunable by gate bias or metal contacts, both of which alter the Fermi energy, and are orbital-specific. PMID:24429879

Fukidome, Hirokazu; Kotsugi, Masato; Nagashio, Kosuke; Sato, Ryo; Ohkochi, Takuo; Itoh, Takashi; Toriumi, Akira; Suemitsu, Maki; Kinoshita, Toyohiko

2014-01-01

405

Design of coherent quantum observers for linear quantum systems

NASA Astrophysics Data System (ADS)

Quantum versions of control problems are often more difficult than their classical counterparts because of the additional constraints imposed by quantum dynamics. For example, the quantum LQG and quantum {{H}? } optimal control problems remain open. To make further progress, new, systematic and tractable methods need to be developed. This paper gives three algorithms for designing coherent quantum observers, i.e., quantum systems that are connected to a quantum plant and their outputs provide information about the internal state of the plant. Importantly, coherent quantum observers avoid measurements of the plant outputs. We compare our coherent quantum observers with a classical (measurement-based) observer by way of an example involving an optical cavity with thermal and vacuum noises as inputs.

Vuglar, Shanon L.; Amini, Hadis

2014-12-01

406

Nuclei are rather classical systems in a sense. In the old days, their phenomena were roughly explained in classical rules such as the liquid drop model. This fact may be understood that when we see an finite quantum many body system like nucleus, though which is a group of quantum mechanical particles, its any collective degree of freedom has any classicality. Getting a classicality does not depend on spatial scales of objects. It is made by a phenomenon called Quantum Decoherence. We have studied about Quantum Decoherence in a finite system as nucleus. In this paper, at the harmonic three body problem (3 Schroedinger cats), it is shown that one degree of freedom as a sub-system would get classicality because of the other two degrees of freedom. Therefore we can assume that a nuclear collective degree of freedom would get classicality when it couples with any other internal degrees of freedom. In this paper, we also note that there is some relationship between the Quantum Decoherence and Crossing of classical orbits in 3 Schroedinger cats model.

Takuji Ishikawa

2009-03-19

407

We test the new VRT(ASP-W)II and VRT(ASP-W)III potentials by employing Diffusion Quantum Monte Carlo simulations to calculate the vibrational ground-state properties of water clusters. These potentials are fits of the highly detailed ASP-W ab initio potential to (D{sub 2}O){sub 2} microwave and far-IR data, and along with the SAPT5s potentials, are the most accurate water dimer potential surfaces in the literature. The results from VRT(ASP-W)II and III are compare to those from the original ASP-W potential, the SAPT5s family of potentials, and several bulk water potentials. Only VRT(ASP-W)II and the spectroscopically ''tuned'' SAPT5st (with N-body induction included) accurately reproduce the vibrational ground-state structures of water clusters up to the hexamer. Finally, the importance of many-body induction and three-body dispension are examined, and it is shown that the latter can have significant effects on water cluster properties despite its small magnitude.

Goldman, N; Saykally, R J

2003-10-03

408

Diamondoids are small diamond nanoparticles (NPs) that are built up from diamond cages. Unlike usual semiconductor NPs, their atomic structure is exactly known, thus they are ideal test-beds for benchmarking quantum chemical calculations. Their usage in spintronics and bioimaging applications requires a detailed knowledge of their electronic structure and optical properties. In this paper, we apply density functional theory (DFT) based methods to understand the electronic and optical properties of a few selected pure and modified diamondoids for which accurate experimental data exist. In particular, we use many-body perturbation theory methods, in the G0W0 and G0W0+BSE approximations, and time-dependent DFT in the adiabatic local density approximation. We find large quasiparticle gap corrections that can exceed thrice the DFT gap. The electron-hole binding energy can be as large as 4 eV but it is considerably smaller than the GW corrections and thus G0W0+BSE optical gaps are about 50% larger than the Kohn-Sham (KS) DFT gaps. We find significant differences between KS time-dependent DFT and GW+BSE optical spectra on the selected diamondoids. The calculated G0W0 quasiparticle levels agree well with the corresponding experimental vertical ionization energies. We show that nuclei dynamics in the ionization process can be significant and its contribution may reach about 0.5 eV in the adiabatic ionization energies. PMID:25134572

Demján, Tamás; Vörös, Márton; Palummo, Maurizia; Gali, Adam

2014-08-14

409

NASA Astrophysics Data System (ADS)

In the context of an ambient space with an arbitrary number d of dimensions, the many-body problem consisting of an arbitrary number N of particles confined by a common, external harmonic potential (realizing a container with soft walls) and interacting among themselves and with the environment with arbitrary conservative repulsive forces scaling as the inverse cube of distances, displays a peculiar behaviour: its effective volume oscillates isochronously without damping. We recently discovered this remarkable phenomenon (valid in the context of both classical and quantum mechanics) and discussed its implications in the context of statistical mechanics and thermodynamics; but after publishing these findings we were informed that essentially analogous results had been previously obtained by Lyndell-Bell and Lyndell-Bell. In the present paper, motivated by the need we felt to acknowledge this fact, we also offer some retrospective remarks on the N -body problem with quadratic and/or inversely-quadratic potentials in one- and more-dimensional space.

Calogero, F.; Leyvraz, F.

2014-03-01

410

Effective Evolution Equations from Quantum Dynamics

In these notes we review the material presented at the summer school on "Mathematical Physics, Analysis and Stochastics" held at the University of Heidelberg in July 2014. We consider the time-evolution of quantum systems and in particular the rigorous derivation of effective equations approximating the many-body Schr\\"odinger dynamics in certain physically interesting regimes.

Niels Benedikter; Marcello Porta; Benjamin Schlein

2015-02-09

411

Heavy Fermions and Quantum Phase Transitions

Quantum phase transitions arise in many-body systems due to competing interactions that promote rivaling ground states. Recent years have seen the identification of continuous quantum phase transitions, or quantum critical points, in a host of antiferromagnetic heavy-fermion compounds. Studies of the interplay between the various effects have revealed new classes of quantum critical points, and are uncovering a plethora of new quantum phases. At the same time, quantum criticality has provided fresh insights into the electronic, magnetic, and superconducting properties of the heavy-fermion metals. We review these developments, discuss the open issues, and outline some directions for future research.

Qimiao Si; Frank Steglich

2011-02-24

412

Quantum Monte Carlo Simulation of condensed van der Waals Systems

NASA Astrophysics Data System (ADS)

Van der Waals forces are as ubiquitous as infamous. While post-Hartree-Fock methods enable accurate estimates of these forces in molecules and clusters, they remain elusive for dealing with many-electron condensed phase systems. We present Quantum Monte Carlo [1,2] results for condensed van der Waals systems. Interatomic many-body contributions to cohesive energies and bulk modulus will be discussed. Numerical evidence is presented for crystals of rare gas atoms, and compared to experiments and methods [3]. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DoE's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000.[4pt] [1] J. Kim, K. Esler, J. McMinis and D. Ceperley, SciDAC 2010, J. of Physics: Conference series, Chattanooga, Tennessee, July 11 2011 [0pt] [2] QMCPACK simulation suite, http://qmcpack.cmscc.org (unpublished)[0pt] [3] O. A. von Lillienfeld and A. Tkatchenko, J. Chem. Phys. 132 234109 (2010)

Benali, Anouar; Shulenburger, Luke; Romero, Nichols A.; Kim, Jeongnim; Anatole von Lilienfeld, O.

2012-02-01

413

Quantum-Mechanical Position Operator in Extended Systems

The position operator (defined within the Schrödinger representation in the standard way) becomes meaningless when periodic boundary conditions are adopted for the wave function, as usual in condensed matter physics. I show how to define the position expectation value by means of a simple many-body operator acting on the wave function of the extended system. The relationships of the present

Raffaele Resta; Fisica Teorica; Strada Costiera

1998-01-01

414

The quantum Hall effect in quantum dot systems

NASA Astrophysics Data System (ADS)

It is proposed to use quantum dots in order to increase the temperatures suitable for observation of the integer quantum Hall effect. A simple estimation using Fock-Darwin spectrum of a quantum dot shows that good part of carriers localized in quantum dots generate the intervals of plateaus robust against elevated temperatures. Numerical calculations employing local trigonometric basis and highly efficient kernel polynomial method adopted for computing the Hall conductivity reveal that quantum dots may enhance peak temperature for the effect by an order of magnitude, possibly above 77 K. Requirements to potentials, quality and arrangement of the quantum dots essential for practical realization of such enhancement are indicated. Comparison of our theoretical results with the quantum Hall measurements in InAs quantum dot systems from two experimental groups is also given.

Beltukov, Y. M.; Greshnov, A. A.

2014-12-01

415

System identification for passive linear quantum systems

System identification is a key enabling component for the implementation of quantum technologies, including quantum control. In this paper, we consider the class of passive linear input-output systems, and investigate several basic questions: (1) which parameters can be identified? (2) Given sufficient input-output data, how do we reconstruct system parameters? (3) How can we optimize the estimation precision by preparing appropriate input states and performing measurements on the output? We show that minimal systems can be identified up to a unitary transformation on the modes, and systems satisfying a Hamiltonian connectivity condition called "infecting" are completely identifiable. We propose a frequency domain design based on a Fisher information criterion, for optimizing the estimation precision for coherent input state. As a consequence of the unitarity of the transfer function, we show that the Heisenberg limit with respect to the input energy can be achieved using non-classical input states.

Madalin Guta; Naoki Yamamoto

2014-08-27

416

Relativistic multireference many-body perturbation theory calculations have been performed on Xe{sup 43+}-Xe{sup 39+} ions, resulting in energy levels, electric dipole transition probabilities, and level lifetimes. The second-order many-body perturbation theory calculation of energy levels included mass shifts, frequency-dependent Breit correction and Lamb shifts. The calculated transition energies and E1 transition rates are used to present synthetic spectra in the extreme ultraviolet range for some of the Xe ions.

Vilkas, M J; Ishikawa, Y; Trabert, E

2007-03-27

417

Perturbative approach to Markovian open quantum systems

The exact treatment of Markovian open quantum systems, when based on numerical diagonalization of the Liouville super-operator or averaging over quantum trajectories, is severely limited by Hilbert space size. Perturbation theory, standard in the investigation of closed quantum systems, has remained much less developed for open quantum systems where a direct application to the Lindblad master equation is desirable. We present such a perturbative treatment which will be useful for an analytical understanding of open quantum systems and for numerical calculation of system observables which would otherwise be impractical. PMID:24811607

Li, Andy C. Y.; Petruccione, F.; Koch, Jens

2014-01-01

418

The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V. M. Shabaev et al., Phys. Rev. Lett. 93, 130405 (2004)] is extended to problems with a non-local spherically-symmetric Dirac-Hartree-Fock potential. We implement the DKB method using B-spline basis sets and compare its performance with the widely-employed approach of Notre Dame (ND) group [W.R. Johnson and J. Sapirstein, Phys. Rev. Lett. 57, 1126 (1986)]. We compare the performance of the ND and DKB methods by computing various properties of Cs atom: energies, hyperfine integrals, the parity-non-conserving amplitude of the $6s_{1/2}-7s_{1/2}$ transition, and the second-order many-body correction to the removal energy of the valence electrons. We find that for a comparable size of the basis set the accuracy of both methods is similar for matrix elements accumulated far from the nuclear region. However, for atomic properties determined by small distances, the DKB method outperforms the ND approach. In...

Beloy, Kyle

2007-01-01

419

NASA Astrophysics Data System (ADS)

The dual-kinetic-balance (DKB) finite basis set method for solving the Dirac equation for hydrogen-like ions [V. M. Shabaev et al., Phys. Rev. Lett. 93, 130405 (2004)] is extended to problems with a non-local spherically-symmetric Dirac-Hartree-Fock potential. We implement the DKB method using B-spline basis sets and compare its performance with the widely- employed approach of Notre Dame (ND) group [W.R. Johnson, S.A. Blundell, J. Sapirstein, Phys. Rev. A 37, 307-15 (1988)]. We compare the performance of the ND and DKB methods by computing various properties of Cs atom: energies, hyperfine integrals, the parity-non-conserving amplitude of the 6s1/2-7s1/2 transition, and the second-order many-body correction to the removal energy of the valence electrons. We find that for a comparable size of the basis set the accuracy of both methods is similar for matrix elements accumulated far from the nuclear region. However, for atomic properties determined by small distances, the DKB method outperforms the ND approach.

Beloy, Kyle; Derevianko, Andrei

2008-05-01

420

The electrical conduction properties of ruthenium oxide nanocables are of high interest. These cables can be built as thin shells of RuO2 surrounding an inner solid nanowire of a dielectric insulating silica material. With this motivation we have investigated the structural, electronic and transport properties of RuO2 nanotubes using the density functional formalism, and applying many-body corrections to the electronic band structure. The structures obtained for the thinnest nanotubes are of the rutile type. The structures of nanotubes with larger diameters deviate from the rutile structure and have in common the formation of dimerized Ru-Ru rows along the axial direction. The cohesive energy shows an oscillating behavior as a function of the tube diameter. With the exception of the thinnest nanotubes, there is a correlation such that the electronic band structures of tubes with high cohesive energies show small gaps at the Fermi energy, whereas the less stable nanotubes exhibit metallic behavior, with bands crossing the Fermi surface. The electronic conductance of nanotubes of finite length connected to gold electrodes has been calculated using a Green-function formalism, and correlations have been established between the electronic band structure and the conductance at zero bias. PMID:23900202

Martínez, J I; Abad, E; Calle-Vallejo, F; Krowne, C M; Alonso, J A

2013-09-21

421

NASA Astrophysics Data System (ADS)

Real-space renormalization schemes for interacting fermions require a prescription for truncating the Hilbert space of a block of M sites (which is destined to become one site after decimation). On physical grounds one retains basis states with large weights in the block's many-body density matrix ?. We specialize to non-interacting fermions. Chung and Peschel [Phys. Rev. B 6406, 4412 (2001)] showed the operator ? has the form exp [sum l ?l f_l^ f_l], where f_l^ are a set of M creation operators for fermions on the block. Thus the eigenstates of ? are just f_i f_j ... f_k |0>, where |0> is the block's empty state. A convenient truncation is to retain only the f_l with largest ? _l. The Chung-Peschel derivation, based on fermionic coherent states, is adapted for the Fermi sea on any lattice. We explicitly construct the f_l's and ?_l's from the eigenvectors and eigenvalues of G, the Green function matrix as restricted to the block.

Henley, C. L.; Cheong, Siew-Ann

2002-03-01

422

We present a mean-field model for the description of transition or noble metal nano-objects interacting with an environment. It includes a potential given by the second-moment approximation to the tight-binding Hamiltonian for metal-metal interactions, and an additional many-body potential that depends on the local atomic coordination for the metal-environment interaction. The model does not refer to a specific type of chemical conditions, but rather provides trends as a function of a limited number of parameters. The capabilities of the model are highlighted by studying the relative stability of semi-infinite gold surfaces of various orientations and formation energies of a restricted set of single-faceted gold nanoparticles. It is shown that, with only two parameters and in a very efficient way, it is able to generate a great variety of stable structures and shapes, as the nature of the environment varies. It is thus expected to account for formation energies of nano-objects of various dimensionalities (surfaces, thin films, nano-rods, nano-wires, nanoparticles, nanoribbons, etc.) according to the environment. PMID:23822263

Cortes-Huerto, Robinson; Goniakowski, Jacek; Noguera, Claudine

2013-06-28

423

NASA Astrophysics Data System (ADS)

We present a mean-field model for the description of transition or noble metal nano-objects interacting with an environment. It includes a potential given by the second-moment approximation to the tight-binding Hamiltonian for metal-metal interactions, and an additional many-body potential that depends on the local atomic coordination for the metal-environment interaction. The model does not refer to a specific type of chemical conditions, but rather provides trends as a function of a limited number of parameters. The capabilities of the model are highlighted by studying the relative stability of semi-infinite gold surfaces of various orientations and formation energies of a restricted set of single-faceted gold nanoparticles. It is shown that, with only two parameters and in a very efficient way, it is able to generate a great variety of stable structures and shapes, as the nature of the environment varies. It is thus expected to account for formation energies of nano-objects of various dimensionalities (surfaces, thin films, nano-rods, nano-wires, nanoparticles, nanoribbons, etc.) according to the environment.

Cortes-Huerto, Robinson; Goniakowski, Jacek; Noguera, Claudine

2013-06-01

424

A new many-body potential with the second-moment approximation of tight-binding scheme for Hafnium

NASA Astrophysics Data System (ADS)

In this work, we develop a new many-body potential for alpha-hafnium (?-Hf) based on the second moment approximation of tight-binding (TB-SMA) theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function. All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy, lattice constants, elastic constants, vacancy formation energy, structure stability and equation of state. By using the present model, the melting point, melt heat, thermal expansion coefficient, point defects, and low-index surface energies of ?-Hf were calculated through molecular dynamics simulations. Comparing with experiment observations from others, it is shown that these properties can be reproduced reasonably by the present model, some results being more consistent to the experimental data than those by previous suggested models. This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals.

Lin, DeYe; Wang, Yi; Shang, ShunLi; Lu, ZhaoPing; Liu, ZiKui; Hui, XiDong

2013-11-01

425

Efficient Simulation of Quantum Systems by Quantum Computers

We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a conventional simulation of the corresponding classical system. We then sketch how results of interest, like the energy spectrum of a

Christof Zalka

1998-01-01

426

Ground- and excited-state properties of copper(II) charge-transfer systems have been investigated starting from density-functional calculations with particular emphasis on the role of (i) the exchange and correlation functional, (ii) the basis set, (iii) solvent effects, and (iv) the treatment of dispersive interactions. Furthermore (v), the applicability of TD-DFT to excitations of copper(II) bis(chelate) charge-transfer systems is explored by performing many-body perturbation theory (GW?+?BSE), independent-particle approximation and ?SCF calculations for a small model system that contains simple guanidine and imine groups. These results show that DFT and TD-DFT in particular in combination with hybrid functionals are well suited for the description of the structural and optical properties, respectively, of copper(II) bis(chelate) complexes. Furthermore, it is found an accurate theoretical geometrical description requires the use of dispersion correction with Becke-Johnson damping and triple-zeta basis sets while solvent effects are small. The hybrid functionals B3LYP and TPSSh yielded best performance. The optical description is best with B3LYP, whereby heavily mixed molecular transitions of MLCT and LLCT character are obtained which can be more easily understood using natural transition orbitals. An natural bond orbital analysis sheds light on the donor properties of the different donor functions and the intraguanidine stabilization during coordination to copper(I) and (II). PMID:25255876

Hoffmann, Alexander; Rohrmüller, Martin; Jesser, Anton; dos Santos Vieira, Ines; Schmidt, Wolf Gero; Herres-Pawlis, Sonja

2014-11-01

427

Criticality in Transport through the Quantum Ising Chain

NASA Astrophysics Data System (ADS)

We consider thermal transport between two reservoirs coupled by a quantum Ising chain as a model for nonequilibrium physics induced in quantum-critical many-body systems. By deriving rate equations based on exact expressions for the quasiparticle pairs generated during the transport, we observe signatures of the underlying quantum phase transition in the steady-state energy current already at finite and different reservoir temperatures.

Vogl, Malte; Schaller, Gernot; Brandes, Tobias

2012-12-01

428

Thermalization of isolated quantum systems

Understanding the evolution towards thermal equilibrium of an isolated quantum system is at the foundation of statistical mechanics and a subject of interest in such diverse areas as cold atom physics or the quantum mechanics of black holes. Since a pure state can never evolve into a thermal density matrix, the Eigenstate Thermalization Hypothesis (ETH) has been put forward by Deutsch and Srednicki as a way to explain this apparent thermalization, similarly to what the ergodic theorem does in classical mechanics. In this paper this hypothesis is tested numerically. First, it is observed that thermalization happens in a subspace of states (the Krylov subspace) with dimension much smaller than that of the total Hilbert space. We check numerically the validity of ETH in such a subspace, for a system of hard core bosons on a two-dimensional lattice. We then discuss how well the eigenstates of the Hamiltonian projected on the Krylov subspace represent the true eigenstates. This discussion is aided by bringing the projected Hamiltonian to the tridiagonal form and interpreting it as an Anderson localization problem for a finite one-dimensional chain. We also consider thermalization of a subsystem and argue that generation of a large entanglement entropy can lead to a thermal density matrix for the subsystem well before the whole system thermalizes. Finally, we comment on possible implications of ETH in quantum gravity.

Sergei Khlebnikov; Martin Kruczenski

2014-03-12

429

Dissipative Properties of Quantum Systems

We consider the dissipative properties of large quantum systems from the point of view of kinetic theory. The existence of a nontrivial collision operator imposes restrictions on the possible collisional invariants of the system. We consider a model in which a discrete level is coupled to a set of quantum states and which, in the limit of a large “volume,” becomes the Friedrichs model. Because of its simplicity this model allows a direct calculation of the collision operator as well as of related operators and the constants of the motion. For a degenerate spectrum the calculations become more involved but the conclusions remain simple. The special role played by the invariants that are functions of the Hamiltonion is shown to be a direct consequence of the existence of a nonvanishing collision operator. For a class of observables we obtain ergodic behavior, and this reformulation of the ergodic problem may be used in statistical mechanics to study the ergodicity of large quantum systems containing a small physical parameter such as the coupling constant or the concentration. PMID:16591994

Grecos, A. P.; Prigogine, I.

1972-01-01

430

Maxwell's demons in multipartite quantum correlated systems

NASA Astrophysics Data System (ADS)

We investigate the extraction of thermodynamic work by a Maxwell's demon in a multipartite quantum correlated system. We begin by adopting the standard model of a Maxwell's demon as a Turing machine, either in a classical or quantum setup depending on its ability to implement classical or quantum conditional dynamics. Then, for an n -partite system (A1,A2,⋯,An) , we introduce a protocol of work extraction that bounds the advantage of the quantum demon over its classical counterpart through the amount of multipartite quantum correlation present in the system, as measured by a thermal version of the global quantum discord. This result is illustrated for an arbitrary n -partite pure state of qubits with Schmidt decomposition, where it is shown that the thermal global quantum discord exactly quantifies the quantum advantage. Moreover, we also consider the work extraction via mixed multipartite states, where examples of tight upper bounds can be obtained.

Braga, Helena C.; Rulli, Clodoaldo C.; de Oliveira, Thiago R.; Sarandy, Marcelo S.

2014-10-01

431

Continuous-variable and hybrid quantum gates

NASA Astrophysics Data System (ADS)

We provide several schemes to construct the continuous-variable SWAP gate and present a Hermitian generalized many-body continuous controlledn-NOT gate. We introduce and study the hybrid controlled-NOT gate and controlled-SWAP gate, and their physical realizations are discussed in trapped-ion systems. These continuous-variable and hybrid quantum gates may be used in the corresponding continuous-variable and hybrid quantum computations.

Wang, Xiaoguang

2001-11-01

432

Efficient Simulation of Quantum Systems by Quantum Computers

We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a conventional simulation of the corresponding classical system. We then sketch how results of interest, like the energy spectrum of a system, can be obtained. We also indicate that ultimately the simulation of quantum field theory might be possible on large quantum computers. We want to demonstrate that in principle various interesting things can be done. Actual applications will have to be worked out in detail also depending on what kind of quantum computer may be available one day...

Christof Zalka

1996-03-25

433

Could nanostructure be unspeakable quantum system?

Heisenberg, Bohr and others were forced to renounce on the description of the objective reality as the aim of physics because of the paradoxical quantum phenomena observed on the atomic level. The contemporary quantum mechanics created on the base of their positivism point of view must divide the world into speakable apparatus which amplifies microscopic events to macroscopic consequences and unspeakable quantum system. Examination of the quantum phenomena corroborates the confidence expressed by creators of quantum theory that the renunciation of realism should not apply on our everyday macroscopic world. Nanostructures may be considered for the present as a boundary of realistic description for all phenomena including the quantum one.

V. V. Aristov; A. V. Nikulov

2010-06-28

434

Global quantum discord in multipartite systems

We propose a global measure for quantum correlations in multipartite systems, which is obtained by suitably recasting the quantum discord in terms of relative entropy and local von Neumann measurements. The measure is symmetric with respect to subsystem exchange and is shown to be nonnegative for an arbitrary state. As an illustration, we consider tripartite correlations in the Werner-GHZ (Greenberger-Horne-Zeilinger) state and multipartite correlations at quantum criticality. In particular, in contrast with the pairwise quantum discord, we show that the global quantum discord is able to characterize the infinite-order quantum phase transition in the Ashkin-Teller spin chain.

Rulli, C. C.; Sarandy, M. S. [Instituto de Fisica, Universidade Federal Fluminense, Av. Gal. Milton Tavares de Souza s/n, Gragoata, 24210-346 Niteroi, RJ (Brazil)

2011-10-15

435

The existence and uniqueness of a steady state for nonequilibrium systems (NESS) is a fundamental subject and a main theme of research in statistical mechanics for decades. For Gaussian systems, such as a chain of harmonic oscillators connected at each end to a heat bath, and for anharmonic oscillators under specified conditions, definitive answers exist in the form of proven theorems. Answering this question for quantum many-body systems poses a challenge for the present. In this work we address this issue by deriving the stochastic equations for the reduced system with self-consistent backaction from the two baths, calculating the energy flow from one bath to the chain to the other bath, and exhibiting a power balance relation in the total (chain + baths) system which testifies to the existence of a NESS in this system at late times. Its insensitivity to the initial conditions of the chain corroborates to its uniqueness. The functional method we adopt here entails the use of the influence functional, the coarse-grained and stochastic effective actions, from which one can derive t