Measure synchronization in quantum many-body systems
NASA Astrophysics Data System (ADS)
Qiu, Haibo; Juliá-Díaz, Bruno; Garcia-March, Miguel Angel; Polls, Artur
2014-09-01
The concept of measure synchronization between two coupled quantum many-body systems is presented. In general terms we consider two quantum many-body systems whose dynamics gets coupled through the contact particle-particle interaction. This coupling is shown to produce measure synchronization, a generalization of synchrony to a large class of systems which takes place in absence of dissipation. We find that in quantum measure synchronization, the many-body quantum properties for the two subsystems, e.g., condensed fractions and particle fluctuations, behave in a coordinated way. To illustrate the concept we consider a simple case of two species of bosons occupying two distinct quantum states. Measure synchronization can be readily explored with state-of-the-art techniques in ultracold atomic gases and, if properly controlled, be employed to build targeted quantum correlations in a sympathetic way.
Emergent thermodynamics in a quenched quantum many-body system.
Dorner, R; Goold, J; Cormick, C; Paternostro, M; Vedral, V
2012-10-19
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. PMID:23215064
Exotic Freezing of Response in Quantum Many-Body System
Arnab Das
2010-11-01
We show that when a quantum many-body system is subjected to coherent periodic driving, the response may exhibit exotic freezing behavior in high driving frequency ($\\omega$) regime. In a periodically driven classical thermodynamic system, freezing at high $\\omega$ occurs when $1/\\omega$ is much smaller than the characteristic relaxation time of the system, and hence the freezing always increases there as $\\omega$ is increased. Here, in the contrary, we see surprising non-monotonic freezing behavior of the response with $\\omega$, showing curious peak-valley structure. Quite interestingly, the entire system tends to freeze almost absolutely (the freezing peaks) when driven with a certain combination of driving parameters values (amplitude and $\\omega$) due to coherent suppression of dynamics of the quantum many-body modes, which has no classical analog. We demonstrate this new freezing phenomenon analytically (supported by large-scale numerics) for a general class of integrable quantum spin systems.
Universal behavior beyond multifractality in quantum many-body systems.
Luitz, David J; Alet, Fabien; Laflorencie, Nicolas
2014-02-01
How many states of a configuration space contribute to a wave function? Attempts to answer this ubiquitous question have a long history in physics and are keys to understanding, e.g., localization phenomena. Beyond single-particle physics, a quantitative study of the ground state complexity for interacting many-body quantum systems is notoriously difficult, mainly due to the exponential growth of the configuration (Hilbert) space with the number of particles. Here we develop quantum Monte Carlo schemes to overcome this issue, focusing on Shannon-Rényi entropies of ground states of large quantum many-body systems. Our simulations reveal a generic multifractal behavior while the very nature of quantum phases of matter and associated transitions is captured by universal subleading terms in these entropies. PMID:24580627
Experimental Quantum Simulation of Entanglement in Many-body Systems
Jingfu Zhang; Tzu-Chieh Wei; Raymond Laflamme
2011-07-25
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.
Frustration, Entanglement, and Correlations in Quantum Many Body Systems
U. Marzolino; S. M. Giampaolo; F. Illuminati
2013-04-30
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.
Dynamic Stabilization of a Quantum Many-Body Spin System
NASA Astrophysics Data System (ADS)
Hoang, T. M.; Gerving, C. S.; Land, B. J.; Anquez, M.; Hamley, C. D.; Chapman, M. S.
2013-08-01
We demonstrate dynamic stabilization of a strongly interacting quantum spin system realized in a spin-1 atomic Bose-Einstein condensate. The spinor Bose-Einstein condensate is initialized to an unstable fixed point of the spin-nematic phase space, where subsequent free evolution gives rise to squeezing and quantum spin mixing. To stabilize the system, periodic microwave pulses are applied that rotate the spin-nematic many-body fluctuations and limit their growth. The stability diagram for the range of pulse periods and phase shifts that stabilize the dynamics is measured and compares well with a stability analysis.
Dynamics in many-body localized quantum systems without disorder
NASA Astrophysics Data System (ADS)
Schiulaz, Mauro; Silva, Alessandro; Müller, Markus
2015-05-01
We study the relaxation dynamics of strongly interacting quantum systems that display a kind of many-body localization in spite of their translation-invariant Hamiltonian. We show that dynamics starting from a random initial configuration is nonperturbatively slow in the hopping strength, and potentially genuinely nonergodic in the thermodynamic limit. In finite systems with periodic boundary conditions, density relaxation takes place in two stages, which are separated by a long out-of-equilibrium plateau whose duration diverges exponentially with the system size. We estimate the phase boundary of this quantum glass phase, and discuss the role of local resonant configurations. We suggest experimental realizations and methods to observe the discussed nonergodic dynamics.
General coordinate invariance in quantum many-body systems
Tomas Brauner; Solomon Endlich; Alexander Monin; Riccardo Penco
2014-10-21
We extend the notion of general coordinate invariance to many-body, not necessarily relativistic, systems. As an application, we investigate nonrelativistic general covariance in Galilei-invariant systems. The peculiar transformation rules for the background metric and gauge fields, first introduced by Son and Wingate in 2005 and refined in subsequent works, follow naturally from our framework. Our approach makes it clear that Galilei or Poincare symmetry is by no means a necessary prerequisite for making the theory invariant under coordinate diffeomorphisms. General covariance merely expresses the freedom to choose spacetime coordinates at will, whereas the true, physical symmetries of the system can be separately implemented as "internal" symmetries within the vielbein formalism. A systematic way to implement such symmetries is provided by the coset construction. We illustrate this point by applying our formalism to nonrelativistic s-wave superfluids.
Characterizing and Quantifying Frustration in Quantum Many-Body Systems
S. M. Giampaolo; G. Gualdi; A. Monras; F. Illuminati
2012-01-05
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.
Characterizing and quantifying frustration in quantum many-body systems.
Giampaolo, S M; Gualdi, G; Monras, A; Illuminati, F
2011-12-23
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
Localization and Glassy Dynamics Of Many-Body Quantum Systems
Carleo, Giuseppe; Becca, Federico; Schiró, Marco; Fabrizio, Michele
2012-01-01
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
Numerical simulation of quantum many-body systems
Scalapino, D.J.
1992-01-01
Results for the single-particle density of states and the conductivity were obtained for both the attractive-and repulsive-U Hubbard models. At half-filling the densities of states for both models are identical, but the gap for the attractive case arises from the formation of charge-density-wave and superconducting correlations, while for the repulsive-U Hubbard model the gap is the Mott-Hubbard gap and arises from the antiferromagnetic, Coulomb, correlations. Hubbard chains were studied by use of a generalization of Handscomb's quantum Monte Carlo scheme. Monte Carlo calculations of the two-particle vertex of the 2D repulsive-U Hubbard model were carried out. Criteria for determining whether a system is insulating, metallic, or superconducting were investigated; it was found for lattice models (Hubbard, Holstein, etc.) that this is determined by the value of the current- function.
Numerical simulation of quantum many-body systems
Scalapino, D.J.
1992-12-31
Results for the single-particle density of states and the conductivity were obtained for both the attractive-and repulsive-U Hubbard models. At half-filling the densities of states for both models are identical, but the gap for the attractive case arises from the formation of charge-density-wave and superconducting correlations, while for the repulsive-U Hubbard model the gap is the Mott-Hubbard gap and arises from the antiferromagnetic, Coulomb, correlations. Hubbard chains were studied by use of a generalization of Handscomb`s quantum Monte Carlo scheme. Monte Carlo calculations of the two-particle vertex of the 2D repulsive-U Hubbard model were carried out. Criteria for determining whether a system is insulating, metallic, or superconducting were investigated; it was found for lattice models (Hubbard, Holstein, etc.) that this is determined by the value of the current- function.
Dissipative effects in dipolar, quantum many-body systems
NASA Astrophysics Data System (ADS)
Safavi-Naini, Arghavan; Capogrosso-Sansone, Barbara; Rey, Ana Maria
2015-03-01
We use Quantum Monte Carlo simulations, by the Worm algorithm, to study the ground state phase diagram of two-dimensional, dipolar lattice bosons where each site is coupled, via density operators, to an external reservoir. A recent related study of the XXZ model with ohmic coupling to an external reservoir reported the existence of a bath-induced Bose metal phase in the ground state phase diagram away from half filling, and a Luttinger liquid and a charge density wave at half-filling. Our work extends this methodology to higher dimensional systems with long-range interactions. In the case of hard-core bosons, our method can be applied to experimental systems featuring dipolar fermionic molecules in the presence of losses. This work utilized the Janus supercomputer, which is supported by the NSF (award number CNS-0821794) and the University of Colorado Boulder, and is a joint effort with the University of Colorado Denver and the National Center for Atmospheric Research, as well as OU Supercomputing Center for Education and Research (OSCER) at the University of Oklahoma. NIST, JILA-NSF-PFC-1125844, NSF-PIF-1211914, NSF-PHY11-25915, ARO, ARO-DARPA-OLE, AFOSR, AFOSR-MURI.
A quantum many-body spin system in an optical lattice clock.
Martin, M J; Bishof, M; Swallows, M D; Zhang, X; Benko, C; von-Stecher, J; Gorshkov, A V; Rey, A M; Ye, Jun
2013-08-01
Strongly interacting quantum many-body systems arise in many areas of physics, but their complexity generally precludes exact solutions to their dynamics. We explored a strongly interacting two-level system formed by the clock states in (87)Sr as a laboratory for the study of quantum many-body effects. Our collective spin measurements reveal signatures of the development of many-body correlations during the dynamical evolution. We derived a many-body Hamiltonian that describes the experimental observation of atomic spin coherence decay, density-dependent frequency shifts, severely distorted lineshapes, and correlated spin noise. These investigations open the door to further explorations of quantum many-body effects and entanglement through use of highly coherent and precisely controlled optical lattice clocks. PMID:23929976
Nanomechanical quantum many-body phonon-qubit systems for quantum simulators
NASA Astrophysics Data System (ADS)
Soykal, Oney; Tahan, Charles
2014-03-01
We investigate nanomechanical systems consisting of arrays of coupled phonon cavities each including an impurity qubit in silicon. These experimentally feasible architectures can exhibit quantum many-body phase transitions, e.g. Mott insulator and superfluid states, due to a strong phonon-phonon interaction, and are suitable in the pursuit of quantum simulators. We investigate driven dissipative non-equilibrium systems at zero and non-zero temperatures. These quantum many-body phonon systems can be implemented using either on-chip nano mechanical systems in silicon or DBR heterostructures in silicon-germanium. We examine the experimental procedures to detect these states and show that temperature and driving field (write/read-out) play a critical role in achieving these phonon superfluid and insulator states. These many-body cavity phonon/qubit systems with strong phonon-phonon interactions can be used in forming truly quantum many-body mechanical states for quantum simulators as well as to complement other nano/optomechanical systems.
COVER IMAGE How quantum many-body systems
Loss, Daniel
Graphene spintronics Non-magnetic spin measurement Letter p313 Quantum phononics A ripple of excitement and A. Kanigel 313 Nonlinear detection of spin currents in graphene with non-magnetic electrodes Ivan J J. Millis and Silke Biermann 338 Local probing of propagating acoustic waves in a gigahertz echo
Numerical Simulations of Quantum Many-body Systems
Scalapino, Douglas J.
1998-04-20
The goals of our DOE work were to develop numerical tools in order to (1) determine the actual phase of particular many-electron models and (2) to understand the underlying mechanisms responsible for the observed phases. Over the years, DOE funds provided support for a number of graduate students and postdoctoral fellows who have gone on to continue and extend this effort. Looking back, they were more successful in determining the types of correlations that developed in particular models and less successful in establishing the underlying mechanisms. For example, they found clear evidence for antiferromagnetism, d{sub x{sup 3}-y{sup 2}}-pairing correlations, and stripes in various t-t{prime}-J and Hubbard models. Here, the stripes consisted of 1/2-filled domain walls of holes separated by {pi}-phase shifted antiferromagnetic regions. They found that a next-near-neighbor hopping t{prime} with t{prime}/t > 0 suppressed the stripes and favored the d{sub x{sup 3}-y{sup 2}}-pairing correlations. They studied a model of a CuO, 2-leg ladder and found that d{sub x{sup 3}-y{sup 2}} correlations formed when the system was doped with either electrons or holes. Another example that they studied was a two-dimensional spin 1/2 easy plane model with a near-neighbor exchange J and a four-site ring exchange K. In this J-K model, as K/J is increased, one moves from XY order to stripe order and to Ising antiferromagnetic order. They are still exploring the unusual transition between the Xy and striped phase. The key feature that we found was that strongly-correlated, many-electron systems are 'delicately balanced' between different possible phases. They also believe that their work provides strong support in favor of Anderson's suggestion that the Hubbard model contains the basic physics of the cuprates. That is, it exhibits antiferromagnetism, d{sub x{sup 3}-y{sup 2}}-pairing correlations, and stripes as the half-filled model is doped with holes. They were not as successful in determining the basic mechanisms. Specifically, they sought to determine the basic pairing mechanism. They tried various approaches and concluded that the spin-fluctuations play a central role. However, it was only recently, with Professor Mark Jarrell (UC) and Dr. Thomas Maier (ORNL), that they have found clear evidence that the pairing is mediated by an S = 1 particle-hole fluctuation.
Shortcuts to adiabaticity in quantum many-body systems: a quantum dynamical microscope
NASA Astrophysics Data System (ADS)
Del Campo, Adolfo
2014-03-01
The evolution of a quantum system induced by a shortcut to adiabaticity mimics the adiabatic dynamics without the requirement of slow driving. Engineering it involves diagonalizing the instantaneous Hamiltonian of the system and results in the need of auxiliary non-local interactions for matter-waves. Here experimentally realizable driving protocols are found for a large class of single-particle, many-body, and non-linear systems without demanding the spectral properties as an input. The method is applied to the expansion of a trapped ultracold gas which spatially scales up the size of the cloud while conserving the quantum correlations of the initial many-body state. This shortcut to adiabatic expansions acts as a quantum dynamical microscope.
Quantum simulation. Coherent imaging spectroscopy of a quantum many-body spin system.
Senko, C; Smith, J; Richerme, P; Lee, A; Campbell, W C; Monroe, C
2014-07-25
Quantum simulators, in which well-controlled quantum systems are used to reproduce the dynamics of less understood ones, have the potential to explore physics inaccessible to modeling with classical computers. However, checking the results of such simulations also becomes classically intractable as system sizes increase. Here, we introduce and implement a coherent imaging spectroscopic technique, akin to magnetic resonance imaging, to validate a quantum simulation. We use this method to determine the energy levels and interaction strengths of a fully connected quantum many-body system. Additionally, we directly measure the critical energy gap near a quantum phase transition. We expect this general technique to become a verification tool for quantum simulators once experiments advance beyond proof-of-principle demonstrations and exceed the resources of conventional computers. PMID:25061207
NASA Astrophysics Data System (ADS)
Streltsova, Oksana I.; Alon, Ofir E.; Cederbaum, Lorenz S.; Streltsov, Alexej I.
2014-06-01
The nonequilibrium quantum dynamics of trapped bosons interacting by strong interparticle interaction of finite range in one, two, and three spatial dimensions is investigated on an accurate many-body level. We use different time-dependent processes to destabilize the systems' ground states: A sudden quench of the strength of the interparticle repulsion is accompanied by displacement of the trap. Two qualitatively different but otherwise generic dynamical quantum many-body behaviors are discovered. In the first, the overall "topology" of the ground-state density is preserved, whereas in the second the density totally "explodes." An intuitive many-body time-dependent model is devised to interpret and explain the observations. The generality of the discovered scenarios is explicitly confirmed in traps of various shapes and dimensionality, and interparticle interactions of different forms and ranges. Implications are briefly discussed.
Editorial: Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems
NASA Astrophysics Data System (ADS)
Cazalilla, M. A.; Rigol, M.
2010-05-01
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
Isolated many-body quantum systems far from equilibrium: Relaxation process and thermalization
Torres-Herrera, E. J.; Santos, Lea F. [Physics Department, Yeshiva University, New York, New York 10016 (United States)
2014-10-15
We present an overview of our recent numerical and analytical results on the dynamics of isolated interacting quantum systems that are taken far from equilibrium by an abrupt perturbation. The studies are carried out on one-dimensional systems of spins-1/2, which are paradigmatic models of many-body quantum systems. Our results show the role of the interplay between the initial state and the post-perturbation Hamiltonian in the relaxation process, the size of the fluctuations after equilibration, and the viability of thermalization.
Fluctuations and Stochastic Processes in One-Dimensional Many-Body Quantum Systems
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
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.
Equivalent dynamical complexity in a many-body quantum and collective human system
NASA Astrophysics Data System (ADS)
Johnson, Neil F.; Ashkenazi, Josef; Zhao, Zhenyuan; Quiroga, Luis
2011-03-01
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.
Switching the Anomalous DC Response of an AC-driven Quantum Many-body system
Arnab Das; R. Moessner
2012-08-01
For a class of integrable quantum many-body systems, symmetric AC driving can generically produce a steady DC response. We show how such dynamical freezing can be switched off, not by forcing the system to follow the (arbitrarily fast) driving field, but rather through a much slower but complete oscillation of each individual mode of the system at a frequency of its own, with the slowest mode exhibiting a divergent period. This switching can be controlled in detail, its sharpness depending on a particular parameter of the Hamiltonian. The phenomenon has a robust manifestation even in the few-body limit, perhaps the most promising setting for realisation within existing frameworks.
Seniority in quantum many-body systems. I. Identical particles in a single shell
NASA Astrophysics Data System (ADS)
Van Isacker, P.; Heinze, S.
2014-10-01
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.
Simulating local measurements on a quantum many body system with stochastic matrix product states
Søren Gammelmark; Klaus Mølmer
2009-11-25
We demonstrate how to simulate both discrete and continuous stochastic evolution of a quantum many body system subject to measurements using matrix product states. A particular, but generally applicable, measurement model is analyzed and a simple representation in terms of matrix product operators is found. The technique is exemplified by numerical simulations of the anti-ferromagnetic Heisenberg spin-chain model subject to various instances of the measurement model. In particular we focus on local measurements with small support and non-local measurements which induces long range correlations.
NASA Astrophysics Data System (ADS)
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
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.
NASA Astrophysics Data System (ADS)
Liu, Wenyuan; Wang, Chao; Li, Yanbin; Lao, Yuyang; Han, Yongjian; Guo, Guang-Can; Zhao, Yong-Hua; He, Lixin
2015-03-01
Tensor network states (TNS) methods combined with the Monte Carlo (MC) technique have been proven a powerful algorithm for simulating quantum many-body systems. However, because the ground state energy is a highly non-linear function of the tensors, it is easy to get stuck in local minima when optimizing the TNS of the simulated physical systems. To overcome this difficulty, we introduce a replica-exchange molecular dynamics optimization algorithm to obtain the TNS ground state, based on the MC sampling technique, by mapping the energy function of the TNS to that of a classical mechanical system. The method is expected to effectively avoid local minima. We make benchmark tests on a 1D Hubbard model based on matrix product states (MPS) and a Heisenberg J1–J2 model on square lattice based on string bond states (SBS). The results show that the optimization method is robust and efficient compared to the existing results.
Liu, Wenyuan; Wang, Chao; Li, Yanbin; Lao, Yuyang; Han, Yongjian; Guo, Guang-Can; Zhao, Yong-Hua; He, Lixin
2015-03-01
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
Lieb-Robinson Bounds and Quasi-locality for the Dynamics of Many-Body Quantum Systems
Robert Sims
2010-11-20
We review a recently proven Lieb-Robinson bound for general, many-body quantum systems with bounded interactions. Several basic examples are discussed as well as the connection between commutator estimates and quasi-locality.
Spectrum of quantum transfer matrices via classical many-body systems
NASA Astrophysics Data System (ADS)
Gorsky, A.; Zabrodin, A.; Zotov, A.
2014-01-01
In this paper we clarify the relationship between inhomogeneous quantum spin chains and classical integrable many-body systems. It provides an alternative (to the nested Bethe ansatz) method for computation of spectra of the spin chains. Namely, the spectrum of the quantum transfer matrix for the inhomogeneous n -invariant XXX spin chain on N sites with twisted boundary conditions can be found in terms of velocities of particles in the rational N -body Ruijsenaars-Schneider model. The possible values of the velocities are to be found from intersection points of two Lagrangian submanifolds in the phase space of the classical model. One of them is the Lagrangian hyperplane corresponding to fixed coordinates of all N particles and the other one is an N -dimensional Lagrangian submanifold obtained by fixing levels of N classical Hamiltonians in involution. The latter are determined by eigenvalues of the twist matrix. To support this picture, we give a direct proof that the eigenvalues of the Lax matrix for the classical Ruijsenaars-Schneider model, where velocities of particles are substituted by eigenvalues of the spin chain Hamiltonians, calculated through the Bethe equations, coincide with eigenvalues of the twist matrix, with certain multiplicities. We also prove a similar statement for the n Gaudin model with N marked points (on the quantum side) and the Calogero-Moser system with N particles (on the classical side). The realization of the results obtained in terms of branes and supersymmetric gauge theories is also discussed.
Theory of classical and quantum frustration in quantum many-body systems
Giampaolo, S M; Monras, A; Illuminati, F
2011-01-01
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.
Preparing ground States of quantum many-body systems on a quantum computer.
Poulin, David; Wocjan, Pawel
2009-04-01
Preparing the ground state of a system of interacting classical particles is an NP-hard problem. Thus, there is in general no better algorithm to solve this problem than exhaustively going through all N configurations of the system to determine the one with lowest energy, requiring a running time proportional to N. A quantum computer, if it could be built, could solve this problem in time sqrt[N]. Here, we present a powerful extension of this result to the case of interacting quantum particles, demonstrating that a quantum computer can prepare the ground state of a quantum system as efficiently as it does for classical systems. PMID:19392338
Variational Jastrow coupled-cluster theory of quantum many-body systems
NASA Astrophysics Data System (ADS)
Xian, Y.
2008-04-01
We study many-body correlations in the ground state of a general quantum system of bosons or fermions by including an additional Jastrow function in our recently proposed variational coupled-cluster method. Our approach combines the advantages of state-dependent correlations in the coupled-cluster theory and of the strong, short-ranged correlations of the Jastrow function. We apply a generalized linked-cluster expansion for the Jastrow wave function and provide a detailed analysis for practical evaluation of the Hamiltonian expectation value as an energy functional of the Jastrow function and the bare density-distribution functions introduced and calculated in our earlier publications; a simple, first-order energy functional is derived and detailed formulas for the higher-order contributions are provided. Our energy functional does not suffer the divergence as most coupled-cluster calculations often do when applying to Hamiltonians with hardcore potentials. We also discuss possible applications of our technique, including applications to strongly correlated fermion systems.
Trugman, S.A.
1989-01-01
The problem of how to visualize and sometimes solve a general many-body system is considered. The ideas are established in the context of very simple small systems, a Hubbard model and a coupled electron-phonon model, both on two lattice sites. These models are also solved to good approximation in the thermodynamic limit, although the Hubbard model is restricted to a small number of holes away from the Mott insulating state. Response functions are also considered. A fairly general many-body Hamiltonian is considered. It consists of an electron or other fermion kinetic energy and electron-electron interactions, which may be coupled to a bose field such as a phonon. The phonons themselves may be nonlinear (have self-interactions). The system may be strongly coupled. One may also add coupling to an external driving field, such as an ac electric field. The methods discussed are nonperturbative, and so differ from the standard methods of diagrammatic perturbation theory. A comparison is made with diagrammatic methods in the context of the random phase approximation. 6 refs., 12 figs.
Real-time calculations of many-body dynamics in quantum systems
Takashi Nakatsukasa
2012-09-22
Real-time computation of time-dependent quantum mechanical problems are presented for nuclear many-body problems. Quantum tunneling in nuclear fusion at low energy is described using a time-dependent wave packet. A real-time method of calculating strength functions using the time-dependent Schroedinger equation is utilized to properly treat the continuum boundary condition. To go beyond the few-body models,we resort to the density-functional theory. The nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the energy density functional. Photoabsorption cross sections in 238U are calculated with the real-time method for the time-dependent density-functional theory.
Coherent Imaging Spectroscopy of a Quantum Many-Body Spin System
NASA Astrophysics Data System (ADS)
Smith, Jacob; Senko, Crystal; Richerme, Phil; Lee, Aaron; Campbell, Wes; Monroe, Chris
2014-05-01
Trapped-ion quantum simulators are a promising candidate for exploring quantum-many-body physics, such as quantum magnetism, that are difficult to examine in condensed-matter experiments or using classical simulation. We demonstrate a coherent imaging spectroscopic technique to validate a quantum simulation. In this work, we study fully-connected transverse Ising models with a chain of up to 18 171Yb+ ions. Here, We resolve the state of each spin by collecting the spin-dependent fluorescence on a camera in order to map the complete energy spectrum and fully characterize the spin-spin couplings, while also engineering entangled states and measuring the critical gap near a quantum phase transition. We expect this general technique to become an important verification tool for quantum simulators. This work is supported by grants from the U.S. Army Research Office with funding from the DARPA OLE program, IARPA, and the MURI program; and the NSF Physics Frontier Center at JQI.
Thomas Chung; Stephen D. Bartlett; Andrew C. Doherty
2009-04-17
In measurement-based quantum computation (MBQC), local adaptive measurements are performed on the quantum state of a lattice of qubits. Quantum gates are associated with a particular measurement sequence, and one way of viewing MBQC is that such a measurement sequence prepares a resource state suitable for `gate teleportation'. We demonstrate how to quantify the performance of quantum gates in MBQC by using correlation functions on the pre-measurement resource state.
Quantum revivals and many-body localization
NASA Astrophysics Data System (ADS)
Moore, Joel; Vasseur, Romain; Parameswaran, Siddharth
2015-03-01
We show that the interaction-induced dephasing that distinguishes many-body localized phases from Anderson insulators has a striking consequence for quantum revivals in the time evolution of local observables. We examine the magnetization dynamics of a single ``qubit'' spin weakly coupled to an otherwise isolated disordered spin chain and first demonstrate that in the localized regime the spin chain is unable to act as a source of dissipation for the qubit, which therefore retains an imprint of its initial magnetization at infinite time. For Anderson localization, the magnetization exhibits periodic revivals, whose rate is strongly suppressed upon adding interactions after a time scale corresponding to the onset of dephasing. In contrast, the ergodic phase acts as a bath for the qubit, with no revivals visible on the time scales studied. The suppression of quantum revivals provides a quantitative, experimentally observable alternative to entanglement growth as a measure of the ``non-ergodic but dephasing'' nature of many-body localized systems.
M. Cianciaruso; S. M. Giampaolo; W. Roga; G. Zonzo; M. Blasone; F. Illuminati
2014-12-02
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.
Quantum nonlocality. Detecting nonlocality in many-body quantum states.
Tura, J; Augusiak, R; Sainz, A B; Vértesi, T; Lewenstein, M; Acín, A
2014-06-13
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
Many-body entanglement in gapped quantum systems : representation, classification, and application
Chen, Xie, Ph. D. Massachusetts Institute of Technology
2012-01-01
Entanglement is a special form of quantum correlation that exists among quantum particles and it has been realized that surprising things can happen when a large number of particles are entangled together. For example, ...
Gauging quantum states: from global to local symmetries in many-body systems
Jutho Haegeman; Karel Van Acoleyen; Norbert Schuch; J. Ignacio Cirac; Frank Verstraete
2015-01-12
We present an operational procedure to transform global symmetries into local symmetries at the level of individual quantum states, as opposed to typical gauging prescriptions for Hamiltonians or Lagrangians. We then construct a compatible gauging map for operators, which preserves locality and reproduces the minimal coupling scheme for simple operators. By combining this construction with the formalism of projected entangled-pair states (PEPS), we can show that an injective PEPS for the matter fields is gauged into a G-injective PEPS for the combined gauge-matter system, which potentially has topological order. We derive the corresponding parent Hamiltonian, which is a frustration free gauge theory Hamiltonian closely related to the Kogut-Susskind Hamiltonian at zero coupling constant. We can then introduce gauge dynamics at finite values of the coupling constant by applying a local filtering operation. This scheme results in a low-parameter family of gauge invariant states of which we can accurately probe the phase diagram, as we illustrate by studying a Z2 gauge theory with Higgs matter.
Gauging Quantum States: From Global to Local Symmetries in Many-Body Systems
NASA Astrophysics Data System (ADS)
Haegeman, Jutho; Van Acoleyen, Karel; Schuch, Norbert; Cirac, J. Ignacio; Verstraete, Frank
2015-01-01
We present an operational procedure to transform global symmetries into local symmetries at the level of individual quantum states, as opposed to typical gauging prescriptions for Hamiltonians or Lagrangians. We then construct a compatible gauging map for operators, which preserves locality and reproduces the minimal coupling scheme for simple operators. By combining this construction with the formalism of projected entangled-pair states (PEPS), we can show that an injective PEPS for the matter fields is gauged into a G -injective PEPS for the combined gauge-matter system, which potentially has topological order. We derive the corresponding parent Hamiltonian, which is a frustration-free gauge-theory Hamiltonian closely related to the Kogut-Susskind Hamiltonian at zero coupling constant. We can then introduce gauge dynamics at finite values of the coupling constant by applying a local filtering operation. This scheme results in a low-parameter family of gauge-invariant states of which we can accurately probe the phase diagram, as we illustrate by studying a Z2 gauge theory with Higgs matter.
NASA Astrophysics Data System (ADS)
Tanaka, Toshiaki
2007-10-01
We propose an elegant formulation of parafermionic algebra and parasupersymmetry of arbitrary order in quantum many-body systems without recourse to any specific matrix representation of parafermionic operators and any kind of deformed algebra. Within our formulation, we show generically that every parasupersymmetric quantum system of order p consists of N-fold supersymmetric pairs with N?p and thus has weak quasi-solvability and isospectral property. We also propose a new type of non-linear supersymmetries, called quasi-parasupersymmetry, which is less restrictive than parasupersymmetry and is different from N-fold supersymmetry even in one-body systems though the conserved charges are represented by higher-order linear differential operators. To illustrate how our formulation works, we construct second-order parafermionic algebra and three simple examples of parasupersymmetric quantum systems of order 2, one is essentially equivalent to the one-body Rubakov-Spiridonov type and the others are two-body systems in which two supersymmetries are folded. In particular, we show that the first model admits a generalized 2-fold superalgebra.
NASA Astrophysics Data System (ADS)
Sciolla, Bruno; Poletti, Dario; Kollath, Corinna
2015-05-01
We use two-time correlation functions to study the complex dynamics of dissipative many-body quantum systems. In order to measure, understand, and categorize these correlations we extend the framework of the adiabatic elimination method. We show that, for the same parameters and times, two-time correlations can display two distinct behaviors depending on the observable considered: a fast exponential decay or a much slower dynamics. We exemplify these findings by studying strongly interacting bosons in a double well subjected to phase noise. While the single-particle correlations decay exponentially fast with time, the density-density correlations display slow aging dynamics. We also show that this slow relaxation regime is robust against particle losses. Additionally, we use the developed framework to show that the dynamic properties of dissipatively engineered states can be drastically different from their Hamiltonian counterparts.
NASA Astrophysics Data System (ADS)
Donner, Tobias
2015-03-01
A Bose-Einstein condensate whose motional degrees of freedom are coupled to a high-finesse optical cavity via a transverse pump beam constitutes a dissipative quantum many-body system with long range interactions. These interactions can induce a structural phase transition from a flat to a density-modulated state. The transverse pump field simultaneously represents a probe of the atomic density via cavity- enhanced Bragg scattering. By spectrally analyzing the light field leaking out of the cavity, we measure non-destructively the dynamic structure factor of the fluctuating atomic density while the system undergoes the phase transition. An observed asymmetry in the dynamic structure factor is attributed to the coupling to dissipative baths. Critical exponents for both sides of the phase transition can be extracted from the data. We further discuss our progress in adding strong short-range interactions to this system, in order to explore Bose-Hubbard physics with cavity-mediated long-range interactions and self-organization in lower dimensions.
Lao, Ka Un; Herbert, John M
2015-01-15
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 O(N(3))-O(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
Benet, L. [Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico (UNAM), 62210-Cuernavaca, Morelos (Mexico); Chadderton, L. T. [Atomic and Molecular Physics Laboratary, RSPhysSE, Australian National University, Canberra ACT 0200 (Australia); Kun, S. Yu. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos (UAEM), 62209-Cuernavaca, Morelos (Mexico); Nonlinear Physics Center and Department of Theoretical Physics, RSPhysSE, Australian National University, Canberra ACT 0200 (Australia); Qi Wang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)
2007-06-15
We study coherent superpositions of clockwise and anticlockwise rotating intermediate complexes with overlapping resonances formed in bimolecular chemical reactions. Disintegration of such complexes represents an analog of a famous double-slit experiment. The time for disappearance of the interference fringes is estimated from heuristic arguments related to fingerprints of chaotic dynamics of a classical counterpart of the coherently rotating complex. Validity of this estimate is confirmed numerically for the H+D{sub 2} chemical reaction. Thus we demonstrate the quantum-classical transition in temporal behavior of highly excited quantum many-body systems in the absence of external noise and coupling to an environment.
DiracQ: A Quantum Many-Body Physics Package
John G. Wright; B. Sriram Shastry
2013-01-20
We present a software package DiracQ, for use in quantum many-body Physics. It is designed for helping with typical algebraic manipulations that arise in quantum Condensed Matter Physics and Nuclear Physics problems, and also in some subareas of Chemistry. DiracQ is invoked within a Mathematica session, and extends the symbolic capabilities of Mathematica by building in standard commutation and anticommutation rules for several objects relevant in many-body Physics. It enables the user to carry out computations such as evaluating the commutators of arbitrary combinations of spin, Bose and Fermi operators defined on a discrete lattice, or the position and momentum operators in the continuum. Some examples from popular systems, such as the Hubbard model, are provided to illustrate the capabilities of the package.
Decoherence of many-body systems due to many-body interactions
Carle, T.; Kraus, B. [Institute for Theoretical Physics, University of Innsbruck, Innsbruck (Austria); Briegel, H. J. [Institute for Theoretical Physics, University of Innsbruck, Innsbruck (Austria); Institute for Quantum Optics and Quantum Information, Austrian Academy of Science, Innsbruck (Austria)
2011-07-15
We study a spin-gas model, where N{sub S} system qubits are interacting with N{sub B} bath qubits via many-body interactions. We consider multipartite Ising interactions and show how the effect of decoherence depends on the specific coupling between the system and its environment. For instance, we analyze the influence of decoherence induced by k-body interactions for different values of k. Moreover, we study how the effect of decoherence depends on the correlation between bath qubits that are coupled to different individual system qubits and compare Markovian with non-Markovian scenarios. We derive a useful canonical form of a completely positive map that describes a class of system environment interactions with a finite size of environment correlations. As examples we consider specific quantum many-body states and investigate their evolution under different decoherence models. As a complementary investigation, we study how the coupling to the environment can be employed to generate a desired multipartite state.
Adiabatic tracking of quantum many-body dynamics
Hamed Saberi; Tomáš Opatrný; Klaus Mølmer; Adolfo del Campo
2014-12-05
The nonadiabatic dynamics of a many-body system driven through a quantum critical point can be controlled using counterdiabatic driving, where the formation of excitations is suppressed by assisting the dynamics with auxiliary multiple-body nonlocal interactions. We propose an alternative scheme which circumvents practical challenges to realize shortcuts to adiabaticity in mesoscopic systems by tailoring the functional form of the auxiliary counterdiabatic interactions. A driving scheme resorting in few-body short-range interactions is shown to generate an effectively adiabatic dynamics.
EDITORIAL: Focus on Quantum Information and Many-Body Theory
NASA Astrophysics Data System (ADS)
Eisert, Jens; Plenio, Martin B.
2010-02-01
Quantum many-body models describing natural systems or materials and physical systems assembled piece by piece in the laboratory for the purpose of realizing quantum information processing share an important feature: intricate correlations that originate from the coherent interaction between a large number of constituents. In recent years it has become manifest that the cross-fertilization between research devoted to quantum information science and to quantum many-body physics leads to new ideas, methods, tools, and insights in both fields. Issues of criticality, quantum phase transitions, quantum order and magnetism that play a role in one field find relations to the classical simulation of quantum systems, to error correction and fault tolerance thresholds, to channel capacities and to topological quantum computation, to name but a few. The structural similarities of typical problems in both fields and the potential for pooling of ideas then become manifest. Notably, methods and ideas from quantum information have provided fresh approaches to long-standing problems in strongly correlated systems in the condensed matter context, including both numerical methods and conceptual insights. Focus on quantum information and many-body theory Contents TENSOR NETWORKS Homogeneous multiscale entanglement renormalization ansatz tensor networks for quantum critical systems M Rizzi, S Montangero, P Silvi, V Giovannetti and Rosario Fazio Concatenated tensor network states R Hübener, V Nebendahl and W Dür Entanglement renormalization in free bosonic systems: real-space versus momentum-space renormalization group transforms G Evenbly and G Vidal Finite-size geometric entanglement from tensor network algorithms Qian-Qian Shi, Román Orús, John Ove Fjærestad and Huan-Qiang Zhou Characterizing symmetries in a projected entangled pair state D Pérez-García, M Sanz, C E González-Guillén, M M Wolf and J I Cirac Matrix product operator representations B Pirvu, V Murg, J I Cirac and F Verstraete SIMULATION AND DYNAMICS A quantum differentiation of k-SAT instances B Tamir and G Ortiz Classical Ising model test for quantum circuits Joseph Geraci and Daniel A Lidar Exact matrix product solutions in the Heisenberg picture of an open quantum spin chain S R Clark, J Prior, M J Hartmann, D Jaksch and M B Plenio Exact solution of Markovian master equations for quadratic Fermi systems: thermal baths, open XY spin chains and non-equilibrium phase transition Tomaž Prosen and Bojan Žunkovi? Quantum kinetic Ising models R Augusiak, F M Cucchietti, F Haake and M Lewenstein ENTANGLEMENT AND SPECTRAL PROPERTIES Ground states of unfrustrated spin Hamiltonians satisfy an area law Niel de Beaudrap, Tobias J Osborne and Jens Eisert Correlation density matrices for one-dimensional quantum chains based on the density matrix renormalization group W Münder, A Weichselbaum, A Holzner, Jan von Delft and C L Henley The invariant-comb approach and its relation to the balancedness of multipartite entangled states Andreas Osterloh and Jens Siewert Entanglement scaling of fractional quantum Hall states through geometric deformations Andreas M Läuchli, Emil J Bergholtz and Masudul Haque Entanglement versus gap for one-dimensional spin systems Daniel Gottesman and M B Hastings Entanglement spectra of critical and near-critical systems in one dimension F Pollmann and J E Moore Macroscopic bound entanglement in thermal graph states D Cavalcanti, L Aolita, A Ferraro, A García-Saez and A Acín Entanglement at the quantum phase transition in a harmonic lattice Elisabeth Rieper, Janet Anders and Vlatko Vedral Multipartite entanglement and frustration P Facchi, G Florio, U Marzolino, G Parisi and S Pascazio Entropic uncertainty relations—a survey Stephanie Wehner and Andreas Winter Entanglement in a spin system with inverse square statistical interaction D Giuliano, A Sindona, G Falcone, F Plastina and L Amico APPLICATIONS Time-dependent currents of one-dimensional bosons in an optical lattice J Schachenmayer, G Pupillo and A J Daley Implementing quantum gates using t
Quantum computation algorithm for many-body studies
E. Ovrum; M. Hjorth-Jensen
2007-05-14
We show in detail how the Jordan-Wigner transformation can be used to simulate any fermionic many-body Hamiltonian on a quantum computer. We develop an algorithm based on appropriate qubit gates that takes a general fermionic Hamiltonian, written as products of a given number of creation and annihilation operators, as input. To demonstrate the applicability of the algorithm, we calculate eigenvalues and eigenvectors of two model Hamiltonians, the well-known Hubbard model and a generalized pairing Hamiltonian. Extensions to other systems are discussed.
Exploring flocking via quantum many-body physics techniques
NASA Astrophysics Data System (ADS)
Souslov, Anton; Loewe, Benjamin; Goldbart, Paul M.
2015-03-01
Flocking refers to the spontaneous breaking of spatial isotropy and time-reversal symmetries in collections of bodies such as birds, fish, locusts, bacteria, and artificial active systems. The transport of matter along biopolymers using molecular motors also involves the breaking of these symmetries, which in some cases are known to be broken explicitly. We study these classical nonequilibrium symmetry-breaking phenomena by means of models of many strongly interacting particles that hop on a periodic lattice. We employ a mapping between the classical and quantum dynamics of many-body systems, combined with tools from many-body theory. In particular, we examine the formation and properties of nematic and polar order in low-dimensional, strongly-interacting active systems using techniques familiar from fermionic systems, such as self-consistent field theory and bosonization. Thus, we find that classical active systems can exhibit analogs of quantum phenomena such as spin-orbit coupling, magnetism, and superconductivity. The models we study connect the physics of asymmetric exclusion processes to the spontaneous emergence of transport and flow, and also provide a soluble cousin of Vicsek's model system of self-propelled particles.
On solving the quantum many-body problem
Thomas Schweigler; Valentin Kasper; Sebastian Erne; Bernhard Rauer; Tim Langen; Thomas Gasenzer; Jürgen Berges; Jörg Schmiedmayer
2015-05-12
We experimentally study a pair of tunnel-coupled one-dimensional atomic superfluids, which realize the quantum sine-Gordon/massive Thirring models relevant for a wide variety of disciplines from particle to condensed-matter physics. From measured interference patterns we extract phase correlation functions and analyze if, and under which conditions, the higher-order correlation functions factorize into lower ones. This allows us to characterize the essential features of the model solely from our experimental measurements, detecting the relevant quasiparticles, their interactions and the topologically distinct vacua. Our method provides comprehensive insights into a non-trivial quantum field theory and establishes a general method to analyze quantum many-body systems through experiments.
Collision Microscope to Study Many-Body Quantum Entanglement
NASA Astrophysics Data System (ADS)
Price, Craig; Liu, Qi; Gemelke, Nathan
2014-05-01
Quantum entanglement over long length scales is present in both quantum critical and quantum ordered many-body systems and can often be used as a fingerprint for underlying dynamics or ground-state structure. Limited quantum measurement and thermal back-action via controlled collisions of cold atoms and subsequent optical detection can be used to probe long-range entanglement. Entanglement Entropy has recently arisen as a quantitative vehicle to describe entanglement in thermodynamic systems, and its scaling with area can reveal detailed character of the system. We present progress in constructing an apparatus to experimentally extract Entanglement Entropy through pair-wise entanglement of cold fermionic potassium and bosonic cesium gases. The measurement will be made by translating localized probe atoms through a portion of a strongly entangled sample, then recording the heating effect of back-action after optical detection of probe atoms. To do so, precise independent control over the atoms will be maintained in a bichromatic lattice formed with a monolithic, common-mode optical setup imbedded in a quantum gas microscope. Other applications are discussed, including cooling of a Mott-Insulator and study of non-equilibrium quantum systems.
Analyzing Many-Body Localization with a Quantum Computer
NASA Astrophysics Data System (ADS)
Bauer, Bela; Nayak, Chetan
2014-10-01
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.
Comment on ``Quenches in quantum many-body systems: One-dimensional Bose-Hubbard model reexamined''
NASA Astrophysics Data System (ADS)
Rigol, Marcos
2010-09-01
In a recent paper, Roux [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.79.021608 79, 021608(R) (2009)] argued that thermalization in a Bose-Hubbard system, after a quantum quench, follows from the approximate Boltzmann distribution of the overlap between the initial state and the eigenstates of the final Hamiltonian. We show here that the distribution of the overlaps is in general not related to the canonical (or microcanonical) distribution and, hence, it cannot explain why thermalization occurs in quantum systems.
Entanglement replication in driven-dissipative many body systems
S. Zippilli; M. Paternostro; G. Adesso; F. Illuminati
2013-01-13
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.
Entanglement replication in driven dissipative many-body systems.
Zippilli, S; Paternostro, M; Adesso, G; Illuminati, F
2013-01-25
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
Quantum many body physics in single and bilayer graphene
Nandkishore, Rahul (Rahul Mahajan )
2012-01-01
Two dimensional electron systems (2DES) provide a uniquely promising avenue for investigation of many body physics. Graphene constitutes a new and unusual 2DES, which may give rise to unexpected collective phenomena. ...
Computational Nuclear Quantum Many-Body Problem: The UNEDF Project
Scott Bogner; Aurel Bulgac; Joseph A. Carlson; Jonathan Engel; George Fann; Richard J. Furnstahl; Stefano Gandolfi; Gaute Hagen; Mihai Horoi; Calvin W. Johnson; Markus Kortelainen; Ewing Lusk; Pieter Maris; Hai Ah Nam; Petr Navratil; Witold Nazarewicz; Esmond G. Ng; Gustavo P. A. Nobre; Erich Ormand; Thomas Papenbrock; Junchen Pei; Steven C. Pieper; Sofia Quaglioni; Kenneth J. Roche; Jason Sarich; Nicolas Schunck; Masha Sosonkina; Jun Terasaki; Ian J. Thompson; James P. Vary; Stefan M. Wild
2013-04-12
The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. 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.
Many-body energy localization transition in periodically driven systems
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
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.
NASA Astrophysics Data System (ADS)
Chin, Cheng
2011-05-01
Recent cold atom researches are reaching out far beyond the realm that was conventionally viewed as atomic physics. Many long standing issues in other physics disciplines or in Gedanken-experiments are nowadays common targets of cold atom physicists. Two prominent examples will be discussed in this talk: BEC-BCS crossover and Efimov physics. Here, cold atoms are employed to emulate electrons in superconductors, and nucleons in nuclear reactions, respectively. The ability to emulate exotic or thought systems using cold atoms stems from the precisely determined, simple, and tunable interaction properties of cold atoms. New experimental tools have also been devised toward an ultimate goal: a complete control and a complete characterization of a few- or many-body quantum system. We are tantalizingly close to this major milestone, and will soon open new venues to explore new quantum phenomena that may (or may not!) exist in scientists' dreams.
Transport in Disordered Many-Body Systems
G. Strinati; C. Castellani; C. Di Castro
1989-01-01
A description of quantum transport for electrons in the presence of a random impurity potential is provided in terms of a kinetic equation, which is obtained from the diagrammatic structure for the linear response functions. When the electron-electron interaction is neglected, the kinetic equation is of the Boltzmann type, with an effective scattering kernel that signals localization effects. With the
Derivation of the Cubic Non-linear Schrödinger Equation from Quantum Dynamics of Many-Body Systems
Laszlo Erdos; Benjamin Schlein; Horng-Tzer Yau
2007-02-27
We prove rigorously that the one-particle density matrix of three dimensional interacting Bose systems with a short-scale repulsive pair interaction converges to the solution of the cubic non-linear Schr\\"odinger equation in a suitable scaling limit. The result is extended to $k$-particle density matrices for all positive integer $k$.
NASA Astrophysics Data System (ADS)
Roux, Guillaume
2010-09-01
In his Comment [see preceding Comment, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.037601 82, 037601 (2010)] on the paper by Roux [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.79.021608 79, 021608(R) (2009)], Rigol argued that the energy distribution after a quench is not related to standard statistical ensembles and cannot explain thermalization. The latter is proposed to stem from what he calls the eigenstate thermalization hypothesis and which boils down to the fact that simple observables are expected to be smooth functions of the energy. In this Reply, we show that there is no contradiction or confusion between the observations and discussions of Roux and the expected thermalization scenario discussed by Rigol. In addition, we emphasize a few other important aspects, in particular the definition of temperature and the equivalence of ensemble, which are much more difficult to show numerically even though we believe they are essential to the discussion of thermalization. These remarks could be of interest to people interested in the interpretation of the data obtained on finite-size systems.
Many-body energy localization transition in periodically driven system
NASA Astrophysics Data System (ADS)
D'Alessio, Luca; Polkovnikov, Anatoli
2013-03-01
According to the second law of thermodynamics the total entropy and energy of a system is increased during almost any dynamical process. 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. 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 periodically driven ergodic systems in the thermodynamic limit. This phenomenon is reminiscent of many-body localization in energy space. We report numerical evidence based on exact diagonalization of small spin chains and theoretical arguments based on the Magnus expansion. Our findings are valid for both classical and quantum systems.
Many-Body Effects in Quantum-Well Intersubband Transitions
NASA Technical Reports Server (NTRS)
Li, Jian-Zhong; Ning, Cun-Zheng
2003-01-01
Intersubband polarization couples to collective excitations of the interacting electron gas confined in a semiconductor quantum well (Qw) structure. Such excitations include correlated pair excitations (repellons) and intersubband plasmons (ISPs). The oscillator strength of intersubband transitions (ISBTs) strongly varies with QW parameters and electron density because of this coupling. We have developed a set of kinetic equations, termed the intersubband semiconductor Bloch equations (ISBEs), from density matrix theory with the Hartree-Fock approximation, that enables a consistent description of these many-body effects. Using the ISBEs for a two-conduction-subband model, various many-body effects in intersubband transitions are studied in this work. We find interesting spectral changes of intersubband absorption coefficient due to interplay of the Fermi-edge singularity, subband renormalization, intersubband plasmon oscillation, and nonparabolicity of bandstructure. Our results uncover a new perspective for ISBTs and indicate the necessity of proper many-body theoretical treatment in order for modeling and prediction of ISBT line shape.
Interrogating the void : the difficulty of extracting information from many-body systems
Diab, Kenan S. (Kenan Sebastian)
2011-01-01
In this thesis, I will explore some of the ways the information-theoretic properties of quantum many-body systems can be analyzed. I do this in two different settings. First, I will describe an approach to the "scrambling ...
Topological structure of an anharmonically coupled many-body system.
NASA Technical Reports Server (NTRS)
Rasetti, M.
1971-01-01
It has been proposed recently that the description of a many-body system with anharmonic coupling could be achieved through the use of the generalized Bose operators of Brandt and Greenberg (1969) directly in a second quantized form. The present study describes a new formulation of the generalized Bose operators which exploits the group theoretical content of these operators.
Dynamical studies of collective behavior of many-body systems
Maxim Vergeles
1997-01-01
This thesis contains the results of the study of the emergent properties of two classes of many-body systems using computational and analytical techniques. (1) The translational and rotational motion of a sphere in a viscous Lennard-Jones liquid has been studied using molecular dynamics simulations. The drag and torque on a sphere in an effectively unbounded fluid are found to agree
Two limiting models of many-body systems
Alexander Yukhimets
2000-01-01
Two models of many-body systems are considered. The first model extends the analysis of orientational first order phase transitions in classical anisotropic molecular fluids at high spatial dimensionality to hard disk fluids, and then to mixture of hard disks and hard spheres. The effect of hard sphere admixture depends sensitively on the relative sizes of the two geometrical objects, and
Lattice methods for strongly interacting many-body systems
Joaquín E. Drut; Amy N. Nicholson
2013-09-17
Lattice field theory methods, usually associated with non-perturbative studies of quantum chromodynamics, are becoming increasingly common in the calculation of ground-state and thermal properties of strongly interacting non-relativistic few- and many-body systems, blurring the interfaces between condensed matter, atomic and low-energy nuclear physics. While some of these techniques have been in use in the area of condensed matter physics for a long time, others, such as hybrid Monte Carlo and improved effective actions, have only recently found their way across areas. With this topical review, we aim to provide a modest overview and a status update on a few notable recent developments. For the sake of brevity we focus on zero-temperature, non-relativistic problems. After a short introduction, we lay out some general considerations and proceed to discuss sampling algorithms, observables, and systematic effects. We show selected results on ground- and excited-state properties of fermions in the limit of unitarity. The appendix contains details on group theory on the lattice.
Preparation of many-body states for quantum simulation
Ward, Nicholas J.; Kassal, Ivan; Aspuru-Guzik, Alan [Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 (United States)
2009-05-21
While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum states on a lattice in real space. In particular, the present algorithm is able to prepare general pure and mixed many-particle states of any number of particles. It relies on a procedure for converting from a second-quantized state to its first-quantized counterpart. The algorithm is efficient in that it operates in time that is polynomial in all the essential descriptors of the system, the number of particles, the resolution of the lattice, and the inverse of the maximum final error. This scaling holds under the assumption that the wave function to be prepared is bounded or its indefinite integral is known and that the Fock operator of the system is efficiently simulatable.
Rotation of Quantum Impurities in the Presence of a Many-Body Environment
NASA Astrophysics Data System (ADS)
Schmidt, Richard; Lemeshko, Mikhail
2015-05-01
We develop a microscopic theory describing a quantum impurity whose rotational degree of freedom is coupled to a many-particle bath. We approach the problem by introducing the concept of an "angulon"—a quantum rotor dressed by a quantum field—and reveal its quasiparticle properties using a combination of variational and diagrammatic techniques. Our theory predicts renormalization of the impurity rotational structure, such as that observed in experiments with molecules in superfluid helium droplets, in terms of a rotational Lamb shift induced by the many-particle environment. Furthermore, we discover a rich many-body-induced fine structure, emerging in rotational spectra due to a redistribution of angular momentum within the quantum many-body system.
Rotation of Quantum Impurities in the Presence of a Many-Body Environment.
Schmidt, Richard; Lemeshko, Mikhail
2015-05-22
We develop a microscopic theory describing a quantum impurity whose rotational degree of freedom is coupled to a many-particle bath. We approach the problem by introducing the concept of an "angulon"-a quantum rotor dressed by a quantum field-and reveal its quasiparticle properties using a combination of variational and diagrammatic techniques. Our theory predicts renormalization of the impurity rotational structure, such as that observed in experiments with molecules in superfluid helium droplets, in terms of a rotational Lamb shift induced by the many-particle environment. Furthermore, we discover a rich many-body-induced fine structure, emerging in rotational spectra due to a redistribution of angular momentum within the quantum many-body system. PMID:26047225
Adiabatic many-body state preparation and information transfer in quantum dot arrays
NASA Astrophysics Data System (ADS)
Farooq, Umer; Bayat, Abolfazl; Mancini, Stefano; Bose, Sougato
2015-04-01
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 adiabatic preparation of ground state in such systems. We show that the adiabatic ground-state preparation is highly robust against those disorder effects making it a good analog simulator. Moreover, we also study the adiabatic quantum 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.
Many-body dynamics of a Bose-Einstein condensate collapsing by quantum tunneling
NASA Astrophysics Data System (ADS)
Saito, Hiroki
2014-02-01
The dynamics of a Bose-Einstein condensate of atoms having attractive interactions is studied using quantum many-body simulations. The collapse of the condensate by quantum tunneling is numerically demonstrated, and the tunneling rate is calculated. The correlation properties of the quantum many-body state are investigated.
Adiabatic many-body state preparation and information transfer in quantum dot arrays
Umer Farooq; Abolfazl Bayat; Stefano Mancini; Sougato Bose
2015-04-27
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.
Entanglement and Stability of Quantum Matter: from Spin-liquids to Many Body Localization
NASA Astrophysics Data System (ADS)
Grover, Tarun
2015-03-01
Quantum entanglement often serves as a fruitful order parameter to characterize quantum phases and phase transitions. However, recent developments have lead to a completely new role for quantum entanglement: the nature of quantum entanglement also places strong constraints on the structure of phase diagrams itself. Specifically, the universal part of entanglement provides a natural ordering for critical systems whereby a critical, scale-invariant phase can be unstable only if the instability reduces entanglement. In this talk, I will elucidate implications of the aforementioned general relation between entanglement and critical phases for a wide variety of challenging problems in condensed matter physics. I will first discuss general arguments on why a large class of gapless quantum spin-liquids, which possess exotic properties such as emergent fermions and photons, must be stable. In a similar vein, I will show that certain quantum transitions must lie beyond a simple Landau order parameter description. Finally, I will discuss a generalization of such arguments to disordered quantum systems in the context of many-body localization transition. Specifically, I will show that at a continuous many-body localization transition, the system is necessarily ergodic.
Light Scattering Study of Many-Body Interactions in Two Dimensional Electronic Systems
Lushalan Boy-Yu. Liao
1994-01-01
Recent advances in material fabrication techniques such as molecular beam epitaxy (MBE) have led to the construction of quantum wells. These wells can be remotely doped to create electronic systems in which the many-body interactions are dominant. These reduced-dimensionality electron systems have surprised researchers with many novel phenomena. In particular, two-dimensional systems exhibit the integer and fractional quantum hall effects.
Quantum drude oscillators for accurate many-body intermolecular forces
Jones, Andrew
2010-01-01
One of the important early applications of Quantum Mechanics was to explain the Van-der-Waal’s 1/R6 potential that is observed experimentally between two neutral species, such as noble gas atoms, in terms of correlated ...
Cooling through quantum criticality and many-body effects in condensed matter and cold gases
NASA Astrophysics Data System (ADS)
Wolf, Bernd; Honecker, Andreas; Hofstetter, Walter; Tutsch, Ulrich; Lang, Michael
2014-10-01
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.
Dynamics of many-body localisation in a translation invariant quantum glass model
Merlijn van Horssen; Emanuele Levi; Juan P. Garrahan
2015-05-26
We study the real-time dynamics of a translationally invariant quantum spin chain, based on the East kinetically constrained glass model, in search for evidence of many-body localisation in the absence of disorder. Numerical simulations indicate a change, controlled by a coupling parameter, from a regime of fast relaxation---corresponding to thermalisation---to a regime of very slow relaxation. This slowly relaxing regime is characterised by dynamical features usually associated with non-ergodicity and many-body localisation (MBL): memory of initial conditions, logarithmic growth of entanglement entropy, and non-exponential decay of time-correlators. We show that slow relaxation is a consequence of sensitivity to spatial fluctuations in the initial state. While numerics indicate that certain relaxation timescales grow markedly with size, our finite size results are consistent both with an MBL transition, expected to only occur in disordered systems, or with a pronounced quasi-MBL crossover.
Kolmogorov-Sinai entropy of many-body Hamiltonian systems.
Lakshminarayan, Arul; Tomsovic, Steven
2011-07-01
The Kolmogorov-Sinai (KS) entropy is a central measure of complexity and chaos. Its calculation for many-body systems is an interesting and important challenge. In this paper, the evaluation is formulated by considering N-dimensional symplectic maps and deriving a transfer matrix formalism for the stability problem. This approach makes explicit a duality relation that is exactly analogous to one found in a generalized Anderson tight-binding model and leads to a formally exact expression for the finite-time KS entropy. Within this formalism there is a hierarchy of approximations, the final one being a diagonal approximation that only makes use of instantaneous Hessians of the potential to find the KS entropy. By way of a nontrivial illustration, the KS entropy of N identically coupled kicked rotors (standard maps) is investigated. The validity of the various approximations with kicking strength, particle number, and time are elucidated. An analytic formula for the KS entropy within the diagonal approximation is derived and its range of validity is also explored. PMID:21867284
NASA Astrophysics Data System (ADS)
Plefka, T.
2006-01-01
For general quantum systems the power expansion of the Gibbs potential and consequently the power expansion of the self-energy is derived in terms of the interaction strength. Employing a generalization of the projector technique, a compact representation of the general terms of the expansion results. The general aspects of the approach are discussed with special emphasis on the effects characteristic for quantum systems. The expansion is systematic and leads directly to contributions beyond the mean field of all thermodynamic quantities. These features are explicitly demonstrated and illustrated for two nontrivial systems, the infinite-range quantum spin glass and the weakly interacting Bose gas. The Onsager terms of both systems are calculated, which represent the first beyond-mean-field contributions. For the spin glass Thouless-Anderson-Palmer-like equations are presented and discussed in the paramagnetic region. The investigation of the Bose gas leads to a beyond-mean-field thermodynamic description. At the Bose-Einstein condensation temperature complete agreement is found with the results presented recently by alternative techniques.
Conservative chaotic map as a model of quantum many-body environment
Davide Rossini; Giuliano Benenti; Giulio Casati
2006-06-08
We study the dynamics of the entanglement between two qubits coupled to a common chaotic environment, described by the quantum kicked rotator model. We show that the kicked rotator, which is a single-particle deterministic dynamical system, can reproduce the effects of a pure dephasing many-body bath. Indeed, in the semiclassical limit the interaction with the kicked rotator can be described as a random phase-kick, so that decoherence is induced in the two-qubit system. We also show that our model can efficiently simulate non-Markovian environments.
Quantum Simulation with Circuit-QED Lattices: from Elementary Building Blocks to Many-Body Theory
NASA Astrophysics Data System (ADS)
Zhu, Guanyu
Recent experimental and theoretical progress in superconducting circuits and circuit QED (quantum electrodynamics) has helped to develop high-precision techniques to control, manipulate, and detect individual mesoscopic quantum systems. A promising direction is hence to scale up from individual building blocks to form larger-scale quantum many-body systems. Although realizing a scalable fault-tolerant quantum computer still faces major barriers of decoherence and quantum error correction, it is feasible to realize scalable quantum simulators with state-of-the-art technology. From the technological point of view, this could serve as an intermediate stage towards the final goal of a large-scale quantum computer, and could help accumulating experience with the control of quantum systems with a large number of degrees of freedom. From the physical point of view, this opens up a new regime where condensed matter systems can be simulated and studied, here in the context of strongly correlated photons and two-level systems. In this thesis, we mainly focus on two aspects of circuit-QED based quantum simulation. First, we discuss the elementary building blocks of the quantum simulator, in particular a fluxonium circuit coupled to a superconducting resonator. We show the interesting properties of the fluxonium circuit as a qubit, including the unusual structure of its charge matrix elements. We also employ perturbation theory to derive the effective Hamiltonian of the coupled system in the dispersive regime, where qubit and the photon frequencies are detuned. The observables predicted with our theory, including dispersive shifts and Kerr nonlinearity, are compared with data from experiments, such as homodyne transmission and two-tone spectroscopy. These studies also relate to the problem of detection in a circuit-QED quantum simulator. Second, we study many-body physics of circuit-QED lattices, serving as quantum simulators. In particular, we focus on two different directions which complement each other. One is concerned with quantum phases, such as photon pairing states, arising from the specific nature of light-matter interaction not usually encountered in conventional condensed matter materials. The second deals with interacting photons in a very specific lattice, the Kagome lattice. In that case, interesting liquid-crystal-like quantum phases, such as a nematic superfluid and a Wigner crystal, arise from the geometric frustration of the lattice.
Scale-free entanglement replication in driven-dissipative many body systems
Zippilli, S; Adesso, G; Illuminati, F
2012-01-01
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.
Performance Optimization of Tensor Contraction Expressions for Many Body Methods in Quantum
Baumgartner, Gerald
electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses of accurate quantum chemistry models typically can take an expert months to years of tedious effort to developPerformance Optimization of Tensor Contraction Expressions for Many Body Methods in Quantum
Many-Body Effects and Lineshape of Intersubband Transitions in Semiconductor Quantum Wells
NASA Technical Reports Server (NTRS)
Ning, Cun-Zheng
2003-01-01
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.
Many-Body Mobility Edge in a Mean-Field Quantum Spin Glass
NASA Astrophysics Data System (ADS)
Laumann, C. R.; Pal, A.; Scardicchio, A.
2014-11-01
The quantum random energy model provides a mean-field description of the equilibrium spin glass transition. We show that it further exhibits a many-body localization-delocalization (MBLD) transition when viewed as a closed quantum system. The mean-field structure of the model allows an analytically tractable description of the MBLD transition using the forward-scattering approximation and replica techniques. The predictions are in good agreement with the numerics. The MBLD transition lies at energy density significantly above the equilibrium spin glass transition, indicating that the closed system dynamics freezes well outside of the traditional glass phase. We also observe that the structure of the eigenstates at the MBLD critical point changes continuously with the energy density, raising the possibility of a family of critical theories for the MBLD transition.
Hidden Quantum Markov Models and non-adaptive read-out of many-body states
Alex Monras; Almut Beige; Karoline Wiesner
2012-08-30
Stochastic finite-state generators are compressed descriptions of infinite time series. Alternatively, compressed descriptions are given by quantum finite- state generators [K. Wiesner and J. P. Crutchfield, Physica D 237, 1173 (2008)]. These are based on repeated von Neumann measurements on a quantum dynamical system. Here we generalise the quantum finite-state generators by replacing the von Neumann pro jections by stochastic quantum operations. In this way we assure that any time series with a stochastic compressed description has a compressed quantum description. Moreover, we establish a link between our stochastic generators and the sequential readout of many-body states with translationally-invariant matrix product state representations. As an example, we consider the non-adaptive read-out of 1D cluster states. This is shown to be equivalent to a Hidden Quantum Model with two internal states, providing insight on the inherent complexity of the process. Finally, it is proven by example that the quantum description can have a higher degree of compression than the classical stochastic one.
Many-Body Stochastic Dynamics: Quenches in Dissipative Quantum Spin Arrays
Loïc Henriet; Karyn Le Hur
2015-06-15
We address dissipation effects on non-equilibrium properties of quantum spin arrays induced by quenches or Landau-Zener transitions. The dissipation is modeled by a bath of harmonic oscillators, here a ohmic bosonic bath. We develop a stochastic approach allowing to describe quantum quenches and interferometry in an exact manner beyond the "dissipative one-spin-1/2" limit. For two spins, the environment can also engender a dissipative quantum phase transition of Kosterlitz-Thouless type. In the case of a quantum Ising chain in a transverse field, we assume long-range interactions between spins and address the interplay between Landau-Zener-Stueckelberg-Majorana interferometry, many-body quenches, dissipative quantum phase transitions, and bath-engineering. We build a Kibble-Zurek type argument to account for non-equilibrium and interaction effects in the lattice. Such dissipative quantum spin arrays can be realized in ultra-cold atom, trapped ion and mesoscopic systems and are also connected to Kondo lattice systems.
Many-body and quantum effects in the radial distribution function of liquid neon and argon
Elena Ermakova; Jan Solca; Hanspeter Huber; Dominik Marx
1995-01-01
Most simulations of liquids are performed in the framework of classical mechanics and the approximation of additivity of pair potentials. Besides errors due to the approximate pair potential, this leads to errors due to quantum effects and the neglect of many-body interactions. By calculating the radial distribution function from pure theory for liquid neon and argon with a quantum effective
221B Lecture Notes Many-Body Problems I (Quantum Statistics)
Murayama, Hitoshi
221B Lecture Notes Many-Body Problems I (Quantum Statistics) 1 Quantum Statistics of Identical is for bosons (particles that obey BoseEinstein 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
Rigol, Marcos [Physics Department, University of California, Davis, California 95616 (United States); Dunjko, Vanja; Olshanii, Maxim [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089 (United States); Institute for Theoretical Atomic and Molecular Physics, Cambridge, Massachusetts 02138 (United States); Yurovsky, Vladimir [School of Chemistry, Tel Aviv University, Tel Aviv 69978 (Israel)
2007-02-02
In this Letter we pose the question of whether a many-body quantum system with a full set of conserved quantities can relax to an equilibrium state, and, if it can, what the properties of such a state are. We confirm the relaxation hypothesis through an ab initio numerical investigation of the dynamics of hard-core bosons on a one-dimensional lattice. Further, a natural extension of the Gibbs ensemble to integrable systems results in a theory that is able to predict the mean values of physical observables after relaxation. Finally, we show that our generalized equilibrium carries more memory of the initial conditions than the usual thermodynamic one. This effect may have many experimental consequences, some of which have already been observed in the recent experiment on the nonequilibrium dynamics of one-dimensional hard-core bosons in a harmonic potential [T. Kinoshita et al., Nature (London) 440, 900 (2006)].
NASA Astrophysics Data System (ADS)
Rigol, Marcos; Dunjko, Vanja; Yurovsky, Vladimir; Olshanii, Maxim
2007-02-01
In this Letter we pose the question of whether a many-body quantum system with a full set of conserved quantities can relax to an equilibrium state, and, if it can, what the properties of such a state are. We confirm the relaxation hypothesis through an ab initio numerical investigation of the dynamics of hard-core bosons on a one-dimensional lattice. Further, a natural extension of the Gibbs ensemble to integrable systems results in a theory that is able to predict the mean values of physical observables after relaxation. Finally, we show that our generalized equilibrium carries more memory of the initial conditions than the usual thermodynamic one. This effect may have many experimental consequences, some of which have already been observed in the recent experiment on the nonequilibrium dynamics of one-dimensional hard-core bosons in a harmonic potential [T. Kinoshita et al., Nature (London) 440, 900 (2006)NATUAS0028-083610.1038/nature04693].
Introduction to Integrable Many-Body systems III
NASA Astrophysics Data System (ADS)
Bajnok, Zoltán; Šamaj, Ladislav
2011-04-01
This is the third part of a three-volume introductory course about integrable systems of interacting bodies. The emphasis is put onto the method of Thermodynamic Bethe ansatz. Two kinds of integrable models are studied. Systems of itinerant electrons, forming a part of Condensed Matter Physics, involve the Hubbard lattice model of electrons with short-ranged one-site interactions (Sect. 20) and the s-d exchange Kondo model (Sect. 21), describing the scattering of conduction electrons on a spin-s impurity. Methods and basic concepts used in Quantum Field Theory are explained on the integrable (1 + 1)-dimensional sine-Gordon model. We start with the classical description of the model in Sect. 22, analyze its finite energy field configurations (soliton, anti-soliton and breathers) and show its classical integrability. The model is quantized by using two schemes: the conformal (Sect. 23) and Lagrangian (Sect. 24) quantizations. The scattering matrix of the sine-Gordon theory is derived at the full quantum level in the bootstrap scheme and is compared to its classical limit in Sect. 25. The parameters of the scattering matrix are related to those of the Lagrangian by calculating the ground-state energy in an applied magnetic field in two ways: Conformal perturbation theory and Thermodynamic Bethe ansatz (Sect. 26). The relation of the sine-Gordon theory to the XXZ Heisenberg model, which provides a complete solution of the sine-Gordon model in a finite volume, is pointed out in Sect. 27. The obtained results are applied in Sect. 28. to the derivation of the exact thermodynamics for the (symmetric) two-component Coulomb gas; this is the first classical two-dimensional fluid with exactly solvable thermodynamics.
Quantum Dynamics of Many-body Spin Chains Using Atomic Ions
NASA Astrophysics Data System (ADS)
Senko, Crystal
2014-05-01
Quantum simulation, a field in which well-controlled quantum systems are used to study many-body physics that would otherwise be challenging to model, has undergone a great deal of progress in recent years. In particular, trapped ions have proven an excellent platform for simulating quantum magnetism, with their long-lived coherence times, tunable spin-spin interactions mediated by optical dipole forces, and ease of individual readout. The manipulation of more than 10 spins is now routine and has allowed the study of dynamics that will be difficult to simulate classically in larger systems, such as spectroscopy of excitation energies (arXiv:1401.5751) and the spread of spin correlations in a system with long-range interactions (arXiv:1401.5088). In the near future, we expect to apply these techniques to the study of a variety of phenomena such as prethermalization in an isolated quantum system, and to upgrade the apparatus so as to handle many tens of spins, a system size well beyond what is classically calculable. This work is supported by grants from the U.S. Army Research Office with funding from the DARPA OLE program, IARPA, and the MURI program; and the NSF Physics Frontier Center at JQI.
Guidoni, Leonardo
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green Information ABSTRACT: In this letter, we report the singlet ground state structure of the full carotenoid. Carotenoids are among the most abundant chemical species in biological systems. Similarly to chlorophylls
The nonequilibrium quantum many-body problem as a paradigm for extreme data science
NASA Astrophysics Data System (ADS)
Freericks, J. K.; Nikoli?, B. K.; Frieder, O.
2014-12-01
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.
PREFACE: Advanced many-body and statistical methods in mesoscopic systems
NASA Astrophysics Data System (ADS)
Anghel, Dragos Victor; Sabin Delion, Doru; Sorin Paraoanu, Gheorghe
2012-02-01
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
Exact numerical methods for a many-body Wannier-Stark system
NASA Astrophysics Data System (ADS)
Parra-Murillo, Carlos A.; Madroñero, Javier; Wimberger, Sandro
2015-01-01
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.
Geometric methods in the quantum many-body problem. Nonexistence of very negative ions
I. M. Sigal
1982-01-01
In this paper we develop the geometric methods in the spectral theory of many-body Schrödinger operators. We give different simplified proofs of many of the basic results of the theory. We prove that there are no very negative ions in Quantum Mechanics.
Many-Body Quantum Theory in Condensed Matter Physics—An Introduction
D E Logan
2005-01-01
This is undoubtedly an ambitious book. It aims to provide a wide ranging, yet self-contained and pedagogical introduction to techniques of quantum many-body theory in condensed matter physics, without losing mathematical `rigor' (which I hope means rigour), and with an eye on physical insight, motivation and application. The authors certainly bring plenty of experience to the task, the book having
BOOK REVIEW: Many-Body Quantum Theory in Condensed Matter Physics---An Introduction
H. Bruus; K. Flensberg
2005-01-01
This is undoubtedly an ambitious book. It aims to provide a wide ranging, yet self-contained and pedagogical introduction to techniques of quantum many-body theory in condensed matter physics, without losing mathematical `rigor' (which I hope means rigour), and with an eye on physical insight, motivation and application. The authors certainly bring plenty of experience to the task, the book having
Chemla, Daniel S.; Shah, Jagdeep
2000-01-01
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
Dynamical Phase Transitions and Instabilities in Open Atomic Many-Body Systems
NASA Astrophysics Data System (ADS)
Diehl, Sebastian; Tomadin, Andrea; Micheli, Andrea; Fazio, Rosario; Zoller, Peter
2010-07-01
We discuss an open driven-dissipative many-body system, in which the competition of unitary Hamiltonian and dissipative Liouvillian dynamics leads to a nonequilibrium phase transition. It shares features of a quantum phase transition in that it is interaction driven, and of a classical phase transition, in that the ordered phase is continuously connected to a thermal state. We characterize the phase diagram and the critical behavior at the phase transition approached as a function of time. We find a novel fluctuation induced dynamical instability, which occurs at long wavelength as a consequence of a subtle dissipative renormalization effect on the speed of sound.
An efficient and accurate quantum lattice-gas model for the many-body Schrödinger wave equation
Jeffrey Yepez; Bruce Boghosian
2002-01-01
Presented is quantum lattice-gas model for simulating the time-dependent evolution of a many-body quantum mechanical system of particles governed by the non-relativistic Schrödinger wave equation with an external scalar potential. A variety of computational demonstrations are given where the numerical predictions are compared with exact analytical solutions. In all cases, the model results accurately agree with the analytical predictions and
The structure of many-body entanglement
Swingle, Brian Gordon
2011-01-01
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. ...
Computational approaches to many-body dynamics of unstable nuclear systems
Alexander Volya
2014-12-19
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.
von Delft, Jan
Measuring the size of a quantum superposition of many-body states Florian Marquardt, Benjamin Abel for the "size" of a quantum superposition of two many-body states with supposedly macroscopically distinct in a superposition of "dead" and "alive," initially designed just to reveal the bizarre nature of quantum mechanics
Many-body effects on temperature dependence of the interband absorption in quantum wells
Godfrey Gumbs; Danhong Huang; Vassilios Fessatidis
1994-01-01
A theory, which includes many-body effects, is presented for the interband absorption in a pseudomorphic Ga1?yAlyAs\\/InxGa1?xAs\\/GaAs modulation-doped quantum well. The electron-electron interaction in a degenerate Fermi sea is calculated in the self-consistent Hartree approximation. In addition, the binding energy within an electron-hole pair is included in the ladder approximation as a vertex correction to the response function. Due to the
Extraction of many-body configurations from nonlinear absorption in semiconductor quantum wells.
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
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
Single-particle and many-body analyses of a quasiperiodic integrable system after a quench
NASA Astrophysics Data System (ADS)
He, Kai; Santos, Lea F.; Wright, Tod M.; Rigol, Marcos
2013-06-01
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.
Collective many-body van der Waals interactions in molecular systems
DiStasio, Robert A.; von Lilienfeld, O. Anatole; Tkatchenko, Alexandre
2012-01-01
Van der Waals (vdW) interactions are ubiquitous in molecules and condensed matter, and play a crucial role in determining the structure, stability, and function for a wide variety of systems. The accurate prediction of these interactions from first principles is a substantial challenge because they are inherently quantum mechanical phenomena that arise from correlations between many electrons within a given molecular system. We introduce an efficient method that accurately describes the nonadditive many-body vdW energy contributions arising from interactions that cannot be modeled by an effective pairwise approach, and demonstrate that such contributions can significantly exceed the energy of thermal fluctuations—a critical accuracy threshold highly coveted during molecular simulations—in the prediction of several relevant properties. Cases studied include the binding affinity of ellipticine, a DNA-intercalating anticancer agent, the relative energetics between the A- and B-conformations of DNA, and the thermodynamic stability among competing paracetamol molecular crystal polymorphs. Our findings suggest that inclusion of the many-body vdW energy is essential for achieving chemical accuracy and therefore must be accounted for in molecular simulations. PMID:22923693
Entanglement from Charge Statistics: Exact Relations for Many-Body Systems
NASA Astrophysics Data System (ADS)
Song, Francis; Flindt, Christian; Rachel, Stephan; Klich, Israel; Le Hur, Karyn
2011-03-01
We present exact formulas for the entanglement and Rényi entropies generated at a quantum point contact (QPC) in terms of the statistics of charge fluctuations, which we illustrate with examples from both equilibrium and non-equilibrium transport. The formulas are also applicable to groundstate entanglement in systems described by non-interacting fermions in any dimension, which in one dimension includes the critical spin-1/2 XX and Ising models where conformal field theory predictions for the entanglement and Rényi entropies are reproduced from the full counting statistics. These results may play a crucial role in the experimental detection of many-body entanglement in mesoscopic structures and cold atoms in optical lattices.
On the rate of convergence for the mean field approximation of many-body quantum dynamics
Zied Ammari; Marco Falconi; Boris Pawilowski
2014-11-23
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.
Fokker Planck equations for globally coupled many-body systems with time delays
NASA Astrophysics Data System (ADS)
Frank, T. D.; Beek, P. J.
2005-10-01
A Fokker-Planck description for globally coupled many-body systems with time delays was developed by integrating previously derived Fokker-Planck equations for many-body systems and for time-delayed systems. By means of the Fokker-Planck description developed, we examined the dependence of the variability of many-body systems on attractive coupling forces and time delays. For a fundamental class of systems exemplified by a time-delayed Shimizu-Yamada model for muscular contractions, we established that the variability is an invertible one-to-one mapping of coupling forces and time delays and that coupling forces and time delays have opposite effects on system variability, allowing time delays to annihilate the impact of coupling forces. Furthermore, we showed how variability measures could be used to determine coupling parameters and time delays from experimental data.
Gourley, P.L.; Lyo, S.K.; Brennan, T.M.; Hammons, B.E. (Sandia National Laboratories, Albuquerque, New Mexico 87185 (USA)); Schaus, C.F.; Sun, S. (Center for High Technology Materials and Department of Electrical and Computing Engineering, University of New Mexico, Albuquerque, New Mexico 87131 (USA))
1989-12-25
The geometry of quantum well surface-emitting lasers has several important consequences. The ultrashort ({similar to}1 {mu}m) vertical cavity defines longitudinal modes with energy separation greater than the bandwidth of spectral gain. The optical confinement of these modes can approach unity. To achieve lasing, high carrier densities ({similar to}10{sup 12} cm{sup {minus}2}) in the quantum well are required. The confined carriers interact through enhanced many-body exchange which influences both the lasing wavelength and threshold characteristics. Indeed, the exchange interaction can facilitate the lasing process. We theoretically and experimentally study the role of the short cavity and exchange interaction on the cw lasing threshold as a function of temperature. In constrast to edge emitters, the lasing threshold in these surface emitters exhibits a well-defined minimum at a particular temperature. The temperature of the minimum can be designed by merely changing the active layer thickness.
Probing many-body quantum states in single InAs quantum dots: Terahertz and tunneling spectroscopy
NASA Astrophysics Data System (ADS)
Zhang, Y.; Shibata, K.; Nagai, N.; Ndebeka-Bandou, C.; Bastard, G.; Hirakawa, K.
2015-06-01
We have investigated the many-body quantum states in single InAs quantum dots (QDs) by simultaneously obtaining the terahertz (THz) intersublevel transition and single electron tunneling spectra. It is found that the intersublevel transition energies measured in the few-electron region are systematically larger than the excited state (ES) energies determined from the transport measurements. We show that tunneling and THz spectroscopy probe the same many-body excited states in the QDs, but their sensitivities depend on their selection rules. In the many-electron region, we observe THz peaks whose energies coincide with the tunneling ESs.
Simulation of Complete Many-Body Quantum Dynamics Using Controlled Quantum-Semiclassical Hybrids
NASA Astrophysics Data System (ADS)
Deuar, P.
2009-09-01
A controlled hybridization between full quantum dynamics and semiclassical approaches (mean-field and truncated Wigner) is implemented for interacting many-boson systems. It is then demonstrated how simulating the resulting hybrid evolution equations allows one to obtain the full quantum dynamics for much longer times than is possible using an exact treatment directly. A collision of sodium BECs with 1.5×105atoms is simulated, in a regime that is difficult to describe semiclassically. The uncertainty of physical quantities depends on the statistics of the full quantum prediction. Cutoffs are minimized to a discretization of the Hamiltonian. The technique presented is quite general and extension to other systems is considered.
Calculation of local pressure tensors in systems with many-body interactions
Hendrik Heinz; Wolfgang Paul; Kurt Binder
2005-01-01
Local pressures are important in the calculation of interface tensions and in analyzing micromechanical behavior. The calculation of local pressures in computer simulations has been limited to systems with pairwise interactions between the particles, which is not sufficient for chemically detailed systems with many-body potentials such as angles and torsions. We introduce a method to calculate local pressures in systems
Calculation of local pressure tensors in systems with many-body interactions
Hendrik Heinz; Wolfgang Paul; Kurt Binder
2003-01-01
Local pressures are important in the calculation of interface tensions and in analyzing micromechanical behavior. The calculation of local pressures in computer simulations has been limited to systems with pairwise interactions between the particles, which is not sufficient for chemically detailed systems with many-body potentials such as angles and torsions. We introduce a method to calculate local pressures in systems
Holographic Mean-Field Theory for Baryon Many-Body Systems
Masayasu Harada; Shin Nakamura; Shinpei Takemoto
2012-09-19
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. The regularity condition of the holographic mean field fixes the relationship between the chemical potential and the density unambiguously. Our approach provides a new framework of gauge/gravity duality for finite-density systems of baryons in the confinement phase.
Many-body Effects in a Laterally Inhomogeneous Semiconductor Quantum Well
NASA Technical Reports Server (NTRS)
Ning, Cun-Zheng; Li, Jian-Zhong; Biegel, Bryan A. (Technical Monitor)
2002-01-01
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.
Nonequilibrium phase diagram of a driven and dissipative many-body system
NASA Astrophysics Data System (ADS)
Tomadin, Andrea; Diehl, Sebastian; Zoller, Peter
2011-01-01
We study the nonequilibrium dynamics of a many-body bosonic system on a lattice, subject to driving and dissipation. The time evolution is described by a master equation, which we treat within a generalized Gutzwiller mean field approximation for density matrices. The dissipative processes are engineered such that the system, in the absence of interaction between the bosons, is driven into a homogeneous steady state with off-diagonal long-range order. We investigate how the coherent interaction affects the properties of the steady state of the system qualitatively and derive a nonequilibrium phase diagram featuring a phase transition into a steady state without long-range order. The phase diagram also exhibits an extended domain where an instability of the homogeneous steady state gives rise to a persistent density pattern with spontaneously broken translational symmetry. In the limit of low particle density, we provide a precise analytical description of the time evolution during the instability. Moreover, we investigate the transient following a quantum quench of the dissipative processes and we elucidate the prominent role played by collective topological variables in this regime.
Object oriented .Net Engine for the Simulation of Three-Dimensional, Relativistic Many-Body Systems
Grossu, I V; Jipa, Al; Felea, D; Bordeianu, C C
2008-01-01
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.
NASA Astrophysics Data System (ADS)
Grossu, I. V.; Besliu, C.; Jipa, Al.; Felea, D.; Esanu, T.; Stan, E.; Bordeianu, C. C.
2013-04-01
In this paper we present a new version of the Chaos Many-Body Engine C# application (Grossu et al. 2012 [1]). In order to benefit from the latest technological advantages, we migrated the application from .Net Framework 2.0 to .Net Framework 4.0. New tools were implemented also. Trying to estimate the particle interactions dependence on initial conditions, we considered a new distance, which takes into account only the structural differences between two systems. We used this distance for implementing the “Structural Lyapunov” function. We propose also a new precision test based on temporal reversed simulations. New version program summaryProgram title: Chaos Many-Body Engine v03 Catalogue identifier: AEGH_v3_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEGH_v3_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 214429 No. of bytes in distributed program, including test data, etc.: 9512380 Distribution format: tar.gz Programming language: Visual C# .Net 2010 Computer: PC Operating system: .Net Framework 4.0 running on MS Windows RAM: 128 MB Classification: 24.60.Lz, 05.45.a Catalogue identifier of previous version: AEGH_v2_0 Journal reference of previous version: Computer Physics Communications 183 (2012) 1055-1059 Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm. Implementation of temporal reversed simulation precision test, and “Structural Lyapunov” function. In order to benefit from the advantages involved in the latest technologies (e.g. LINQ Queries [2]), Chaos Many-Body Engine was migrated from .Net Framework 2.0 to .Net Framework 4.0. In addition to existing energy conservation assessment [3], we propose also a reverse simulation precision test. Thus, for a regular simulation, we considered the corresponding reversed process: initial time equals the end time of regular simulation, and temporal resolution dt<0. One can compare the initial state of the regular system, and the final state of the reversed one (t=0) using, for example, the phase-space distance. Trying to measure particle interactions dependence on initial conditions, we considered the following distance, which takes into account only the structure differences between two many-body systems with reactions: ds=?{?i=1n where Ni1 represents the number of particles of type “i” from the first system, and Ni2 is the corresponding number for the second system. We sum over all particle types. Inspired by the Lyapunov Exponent method [4], we implemented the evolution in time of the “Structural Lyapunov” function, for two identical systems with slightly different initial conditions: Ls(t)=ln ds(t)/ds(0). Migration from .Net Framework 2.0 to .Net Framework 4.0 Reverse simulation precision test “Structural Lyapunov” function. In [1] we applied the Chaos Many-Body Engine to some nuclear relativistic collisions at 4.5 A GeV/c (SKM 200 collaboration [5,6]). We considered also some first tests on He+He head-on collisions at 1 A TeV/c (choose the Simulation?Collision menu, and set the appropriate parameters Fig. 1). However, in this case, more complex reaction schemas should be considered. Further investigation on higher energies is currently in progress. He+He central, head-on collision at 1 A TeV/c (example of use). Restrictions: The reverse simulation precision test does not apply for: systems with reactions, parallel simulations, and Monte Carlo simulations. Running time: quadratic complexity.
Light clusters in nuclear matter: Excluded volume versus quantum many-body approaches
Matthias Hempel; Jürgen Schaffner-Bielich; Stefan Typel; Gerd Röpke
2011-11-23
The formation of clusters in nuclear matter is investigated, which occurs e.g. in low energy heavy ion collisions or core-collapse supernovae. In astrophysical applications, the excluded volume concept is commonly used for the description of light clusters. Here we compare a phenomenological excluded volume approach to two quantum many-body models, the quantum statistical model and the generalized relativistic mean field model. All three models contain bound states of nuclei with mass number A <= 4. It is explored to which extent the complex medium effects can be mimicked by the simpler excluded volume model, regarding the chemical composition and thermodynamic variables. Furthermore, the role of heavy nuclei and excited states is investigated by use of the excluded volume model. At temperatures of a few MeV the excluded volume model gives a poor description of the medium effects on the light clusters, but there the composition is actually dominated by heavy nuclei. At larger temperatures there is a rather good agreement, whereas some smaller differences and model dependencies remain.
Renormalization of myoglobin–ligand binding energetics by quantum many-body effects
Weber, Cédric; Cole, Daniel J.; O’Regan, David D.; Payne, Mike C.
2014-01-01
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
Many-body Green's-function method for electron scattering from open-shell systems
Robert Yaris; Howard S. Taylor
1975-01-01
It is shown how the many-body Green's-function method, previously developed by the authors for treating elastic and inelastic electron scattering of closed-shell systems, can be extended to open-shell systems. The method can now be applied to all open-shell systems where at least one of the members (generally those of highest and lowest multiplicity) of the degenerate multiplet can be adiabatically
Generalized Kinetic Equation for Far-from-Equilibrium Many-Body Systems
C. A. B. Silva; Aurea R. Vasconcellos; J. Galvão Ramos; Roberto Luzzi
2011-01-01
A kinetic equation for the single particle distribution function in an open many-body system, when in far away from equilibrium\\u000a conditions is derived in the context of a Non-Equilibrium Thermo-Statistics of ample scope. It consists of a generalization\\u000a of traditional kinetic equations in that no restrictions are imposed on the characteristics of the nonequilibrium thermodynamic\\u000a state of the system. This
Wu, Zhigang
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 cancellation on both sides of the interface.11,12 However, a hybrid structure composed of two distinct
Code C# for chaos analysis of relativistic many-body systems with reactions
NASA Astrophysics Data System (ADS)
Grossu, I. V.; Besliu, C.; Jipa, Al.; Stan, E.; Esanu, T.; Felea, D.; Bordeianu, C. C.
2012-04-01
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
Morphology of Laplacian growth processes and statistics of equivalent many-body systems
Blumenfeld, R.
1994-11-01
The authors proposes a theory for the nonlinear evolution of two dimensional interfaces in Laplacian fields. The growing region is conformally mapped onto the unit disk, generating an equivalent many-body system whose dynamics and statistics are studied. The process is shown to be Hamiltonian, with the Hamiltonian being the imaginary part of the complex electrostatic potential. Surface effects are introduced through the Hamiltonian as an external field. An extension to a continuous density of particles is presented. The results are used to study the morphology of the interface using statistical mechanics for the many-body system. The distribution of the curvature and the moments of the growth probability along the interface are calculated exactly from the distribution of the particles. In the dilute limit, the distribution of the curvature is shown to develop algebraic tails, which may, for the first time, explain the origin of fractality in diffusion controlled processes.
PREFACE: Many-body correlations from dilute to dense nuclear systems
NASA Astrophysics Data System (ADS)
Otsuka, Takaharu; Urban, Michael; Yamada, Taiichi
2011-09-01
The International EFES-IN2P3 conference on "Many body correlations from dilute to dense nuclear systems" was held at the Institut Henri Poincaré (IHP), Paris, France, from 15-18 February 2011, on the occasion of the retirement of our colleague Peter Schuck. Correlations play a decisive role in various many-body systems such as nuclear systems, condensed matter and quantum gases. Important examples include: pairing correlations (Cooper pairs) which give rise to nuclear superfluidity (analogous to superconductivity in condensed matter); particle-hole (RPA) correlations in the description of the ground state beyond mean-field theory; clusters; and ?-particle correlations in certain nuclei. Also, the nucleons themselves can be viewed as clusters of three quarks. During the past few years, researchers have started to study how the character of these correlations changes with the variation of the density. For instance, the Cooper pairs in dense matter can transform into a Bose-Einstein condensate (BEC) of true bound states at low density (this is the BCS-BEC crossover studied in ultracold Fermi gases). Similar effects play a role in neutron matter at low density, e.g., in the "neutron skin" of exotic nuclei. The ?-cluster correlation becomes particularly important at lower density, such as in the excited states of some nuclei (e.g., the ?-condensate-like structure in the Hoyle state of 12C) or in the formation of compact stars. In addition to nuclear physics, topics from astrophysics (neutron stars), condensed matter, and quantum gases were discussed in 48 talks and 19 posters, allowing the almost 90 participants from different communities to exchange their ideas, experiences and methods. The conference dinner took place at the Musée d'Orsay, and all the participants enjoyed the very pleasant atmosphere. One session of the conference was dedicated to the celebration of Peter's retirement. We would like to take this opportunity to wish Peter all the best and we hope that he will continue his scientific work full of creative and original ideas. We would like to thank all those who helped to make the conference a success: Nguyen van Giai, S Fujii, J Margueron, K Hagino, and Y Kanada-En'yo for their help with the organization; the advisory committee for suggesting invited speakers; V Frois for her administrative help; L Petizon for the website; and the director of IPN Orsay, F Azaiez, for his support. We are indebted to IHP for providing the lecture hall free of charge, and we acknowledge the financial support from JSPS through its EFES core-to-core program, from CNRS (IN2P3 and INP), and from LIA France-Japon. Last but not least, we are grateful to all of the participants for making the conference exciting and successful. Takaharu Otsuka, Michael Urban, Taiichi YamadaEditors of the proceedings
Code C# for chaos analysis of relativistic many-body systems with reactions
Grossu, I V; Jipa, Al; Stan, E; Esanu, T; Felea, D; Bordeianu, C C
2010-01-01
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.
Gonzalo A. Alvarez; Dieter Suter; Robin Kaiser
2014-09-16
Non-equilibrium dynamics of many-body systems is important in many branches of science, such as condensed matter, quantum chemistry, and ultracold atoms. Here we report the experimental observation of a phase transition of the quantum coherent dynamics of a 3D many-spin system with dipolar interactions, and determine its critical exponents. Using nuclear magnetic resonance (NMR) on a solid-state system of spins at room-temperature, we quench the interaction Hamiltonian to drive the evolution of the system. The resulting dynamics of the system coherence can be localized or extended, depending on the quench strength. Applying a finite-time scaling analysis to the observed time-evolution of the number of correlated spins, we extract the critical exponents v = s = 0.42 around the phase transition separating a localized from a delocalized dynamical regime. These results show clearly that such nuclear-spin based quantum simulations can effectively model the non-equilibrium dynamics of complex many-body systems, such as 3D spin-networks with dipolar interactions.
Gritsev, Vladimir; Demler, Eugene; Lukin, Mikhail [Department of Physics, Harvard University, Cambridge, Massachusetts 02138 (United States); Polkovnikov, Anatoli [Department of Physics, Boston University, Boston, Massachusetts 02215 (United States)
2007-11-16
We study the problem of rapid change of the interaction parameter (quench) in a many-body low-dimensional system. It is shown that, measuring the correlation functions after the quench, the information about a spectrum of collective excitations in a system can be obtained. This observation is supported by analysis of several integrable models and we argue that it is valid for nonintegrable models as well. Our conclusions are supplemented by performing exact numerical simulations on finite systems. We propose that measuring the power spectrum in a dynamically split 1D Bose-Einsten condensate into two coupled condensates can be used as an experimental test of our predictions.
Chaos in fermionic many-body systems and the metal-insulator transition
T. Papenbrock; Z. Pluhar; J. Tithof; H. A. Weidenmueller
2011-02-07
We show that finite Fermi systems governed by a mean field and a few-body interaction generically possess spectral fluctuations of the Wigner-Dyson type and are, thus, chaotic. Our argument is based on an analogy to the metal-insulator transition. We construct a sparse random-matrix ensemble ScE that mimics that transition. Our claim then follows from the fact that the generic random-matrix ensemble modeling a fermionic interacting many-body system is much less sparse than ScE.
Calculation of local pressure tensors in systems with many-body interactions.
Heinz, Hendrik; Paul, Wolfgang; Binder, Kurt
2005-12-01
Local pressures are important in the calculation of interface tensions and in analyzing micromechanical behavior. The calculation of local pressures in computer simulations has been limited to systems with pairwise interactions between the particles, which is not sufficient for chemically detailed systems with many-body potentials such as angles and torsions. We introduce a method to calculate local pressures in systems with n-body interactions (n=2,3,4,) based on a micromechanical definition of the pressure tensor. The local pressure consists of a kinetic contribution from the linear momentum of the particles and an internal contribution from dissected many-body interactions by infinitesimal areas. To define dissection by a small area, respective n-body interactions are divided into two geometric centers, effectively reducing them to two-body interactions. Consistency with hydrodynamics-derived formulas for systems with two-body interactions [J. H. Irving and J. G. Kirkwood, J. Chem. Phys. 18, 817 (1950)], for average cross-sectional pressures [B. D. Todd, D. J. Evans, and P. J. Daivis, Phys. Rev. E 52, 1627 (1995)], and for volume averaged pressures (virial formula) is shown. As a simple numerical example, we discuss liquid propane in a cubic box. Local, cross-sectional, and volume-averaged pressures as well as relative contributions from two-body and three-body forces are analyzed with the proposed method, showing full numerical equivalence with the existing approaches. The method allows computing local pressures in the presence of many-body interactions in atomistic simulations of complex materials and biological systems. PMID:16486095
Nardin, Gaël; Moody, Galan; Singh, Rohan; Autry, Travis M; Li, Hebin; Morier-Genoud, François; Cundiff, Steven T
2014-01-31
We study an asymmetric double InGaAs quantum well using optical two-dimensional coherent spectroscopy. The collection of zero-quantum, one-quantum, and two-quantum two-dimensional spectra provides a unique and comprehensive picture of the double well coherent optical response. Coherent and incoherent contributions to the coupling between the two quantum well excitons are clearly separated. An excellent agreement with density matrix calculations reveals that coherent interwell coupling originates from many-body interactions. PMID:24580472
Exponential series expansion for correlation functions of many-body systems.
Barocchi, Fabrizio; Guarini, Eleonora; Bafile, Ubaldo
2014-09-01
We demonstrate that in Hamiltonian many-body systems at equilibrium, any kind of time dependent correlation function c(t) can always be expanded in a series of (complex) exponential functions of time when its Laplace transform C?(z) has single poles. The characteristic frequencies can be identified as the eigenfrequencies of the correlation. This is done without introducing the concepts of fluctuating forces and memory functions, due to Mori and Zwanzig and extensively used in the literature in the last decades. Our method is based on a different projection technique in the Hilbert space S of the system and shows that appropriate approximations of the exponential series are related to the contraction of S to a finite, usually small, number of dimensions. The time dependence of correlation functions is always described in detail by a multiple-exponential functionality also at long times. This result is therefore also valid for correlation functions of many-body Hamiltonian systems for which a power-law dependence, observed in restricted time ranges and predicted to be the asymptotic one, can be considered at most as a useful approximate modeling of long-time behavior. PMID:25314394
C. Ates; J. P. Garrahan; I. Lesanovsky
2012-02-10
Thermalization has been shown to occur in a number of closed quantum many-body systems, but the description of the actual thermalization dynamics is prohibitively complex. Here, we present a model - in one and two dimensions - for which we can analytically show that the evolution into thermal equilibrium is governed by a Fokker-Planck equation derived from the underlying quantum dynamics. Our approach does not rely on a formal distinction of weakly coupled bath and system degrees of freedom. The results show that transitions within narrow energy shells lead to a dynamics which is dominated by entropy and establishes detailed balance conditions that determine both the eventual equilibrium state and the non-equilibrium relaxation to it.
Many-body effects on the resistivity of a multi-orbital system beyond Landau's Fermi-liquid theory
NASA Astrophysics Data System (ADS)
Arakawa, Naoya
2015-06-01
I review many-body effects on the resistivity of a multi-orbital system beyond Landau's Fermi-liquid (FL) theory. Landau's FL theory succeeds in describing electronic properties of some correlated electron systems at low temperatures. However, the behaviors deviating from the temperature dependence in the FL, non-FL-like behaviors, emerge near a magnetic quantum-critical point (QCP). These indicate the importance of many-body effects beyond Landau's FL theory. Those effects in multi-orbital systems have been little understood, although their understanding is important to deduce ubiquitous properties of correlated electron systems and characteristic properties of multi-orbital systems. To improve this situation, I formulate the resistivity of a multi-orbital Hubbard model using the extended Éliashberg theory and adopt this method to the inplane resistivity of quasi-two-dimensional paramagnetic ruthenates in combination with the fluctuation-exchange approximation including the current vertex corrections arising from the self-energy and Maki-Thompson term. The results away from and near the antiferromagnetic QCP reproduce the temperature dependence observed in Sr2RuO4 and Sr2Ru0.075Ti0.025O4, respectively. I highlight the importance of not only the momentum and the temperature dependence of the damping of a quasiparticle but also its orbital dependence in discussing the resistivity of correlated electron systems.
Bravyi, Sergey; DiVincenzo, David P; Loss, Daniel; Terhal, Barbara M
2008-08-15
We show how to map a given n-qubit target Hamiltonian with bounded-strength k-body interactions onto a simulator Hamiltonian with two-body interactions, such that the ground-state energy of the target and the simulator Hamiltonians are the same up to an extensive error O(epsilon n) for arbitrary small epsilon. The strength of the interactions in the simulator Hamiltonian depends on epsilon and k but does not depend on n. We accomplish this reduction using a new way of deriving an effective low-energy Hamiltonian which relies on the Schrieffer-Wolff transformation of many-body physics. PMID:18764519
Blumenfeld, R.
1994-07-01
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.
Stochastic many-body problems in ecology, evolution, neuroscience, and systems biology
NASA Astrophysics Data System (ADS)
Butler, Thomas C.
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.
The Quantum SuttonChen ManyBody Potential for Properties of fcc Metals
Çagin, Tahir
and their alloys. We have modified SC to include quantum corrections (e.g., zeropoint energy) in comparing by calculating the equation of state, thermal expansion, and specific heat. We find generally good agreement and ceramics 7 ). Indeed there are new general procedures from obtaining the parameters directly from quantum
Derivation of the Euler equations from many-body quantum mechanics
Bruno Nachtergaele; Horng-Tzer Yau
2002-01-01
The Heisenberg dynamics of the energy, momentum, and particle densities for fermions with short-range pair interactions is shown to converge to the compressible Euler equations in the hydrodynamic limit. The pressure function is given by the standard formula from quantum statistical mechanics with the two-body potential under consideration. Our derivation is based on a quantum version of the entropy method
On the Kolmogorov-Sinai entropy of many-body Hamiltonian systems
Arul Lakshminarayan; Steven Tomsovic
2011-04-28
The Kolmogorov-Sinai (K-S) entropy is a central measure of complexity and chaos. Its calculation for many-body systems is an interesting and important challenge. In this paper, the evaluation is formulated by considering $N$-dimensional symplectic maps and deriving a transfer matrix formalism for the stability problem. This approach makes explicit a duality relation that is exactly analogous to one found in a generalized Anderson tight-binding model, and leads to a formally exact expression for the finite-time K-S entropy. Within this formalism there is a hierarchy of approximations, the final one being a diagonal approximation that only makes use of instantaneous Hessians of the potential to find the K-S entropy. By way of a non-trivial illustration, the K-S entropy of $N$ identically coupled kicked rotors (standard maps) is investigated. The validity of the various approximations with kicking strength, particle number, and time are elucidated. An analytic formula for the K-S entropy within the diagonal approximation is derived and its range of validity is also explored.
Landau-Zener transitions in noisy environment and many-body systems
Sun, Deqiang
2010-01-16
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...
Many-body Physics in One-dimensional Ultra-cold Atomic Systems
NASA Astrophysics Data System (ADS)
Wei, Bobo
Over the last ten years or so, there have been a number of dramatic experimental developments in trapping, cooling and controlling atoms, which open up new opportunities for studying strongly interacting many-body systems. Cold atom systems are very clean and highly tunable. Systems with different dimensionalities can be realized through optical lattice confinement, and the interactions between atoms can be fine-tuned to any value desired by Feshbach resonance. In this way various simple models can be realized to analyze subtle many-body problems which are difficult to analyze because of the complexity of the systems in real materials. In the first part of the thesis, we investigate ground state properties of Tonks-Girardeau(TG) gas in an one-dimensional periodic trap. The key issue we are interested in is whether periodically-trapped TG gas has an off-diagonal long range order. Through numerical calculations, the single-particle reduced density matrix is computed for systems with up to 265 bosons. Scaling analysis on the occupation number of the lowest orbital shows that there is no Bose-Einstein condensation for the periodically-trapped TG gas in both commensurate and incommensurate cases. We find that, for the commensurate case, the scaling exponents of the occupation number of the lowest orbital, the amplitude of the lowest orbital and the zero-momentum peak height with the particle numbers are 0, 0.5 and 1, respectively, while for the incommensurate case, they are 0.5, 0.5, and 1.5, respectively. These exponents are related to each other by a universal relation. In the second part we study the one-dimensional "hard-sphere" fermions and bosons systems. The pair distribution functions of the one-dimensional "hard-sphere" fermions and bosons systems have been exactly evaluated by introducing gap variables. Some interesting results are obtained. Meanwhile, the pair distribution function could be measured in experiments, so hopefully our numerical results may be observed experimentally in the near future. Lastly, we investigate the one-dimensional multi-component fermions and bosons systems. This is an extension of the work of C.N.Yang and Y.Z.You in 2011. Yang and You studied the ground state energy of w-component fermions and bosons with repulsive interactions. In this part, we investigate w-component fermions and bosons in an attractive interaction regime. Several theorems about the ground state energy of w-component fermions and bosons systems are stated and proved. Combing the results in the work of Yang and You, we finally have a comprehensive picture for the ground state energy of one-dimensional fermions and bosons systems.
Derivation of the Euler equations from many-body quantum mechanics
Bruno Nachtergaele; Horng-Tzer Yau
2003-06-20
The Heisenberg dynamics of the energy, momentum, and particle densities for fermions with short-range pair interactions is shown to converge to the compressible Euler equations in the hydrodynamic limit. The pressure function is given by the standard formula from quantum statistical mechanics with the two-body potential under consideration. Our derivation is based on a quantum version of the entropy method and a suitable quantum virial theorem. No intermediate description, such as a Boltzmann equation or semi-classical approximation, is used in our proof. We require some technical conditions on the dynamics, which can be considered as interesting open problems in their own right.
Renormalization of myoglobin-ligand binding energetics by quantum many-body effects
Weber, Cedric; O'Regan, David D; Payne, Mike C
2014-01-01
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 (DMFT). This combination of methods explicitly accounts for dynamical and multi-reference quantum physics, such as valence and spin fluctuations, of the 3d electrons, whilst treating a significant proportion of the protein (more than 1000 atoms) with density functional theory. 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 st...
NASA Astrophysics Data System (ADS)
Wang, Bin
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.
Derivation of the nonlinear Schrödinger equation from a many body Coulomb system
Laszlo Erdos; Horng-Tzer Yau
2002-05-22
We consider the time evolution of N bosonic particles interacting via a mean field Coulomb potential. Suppose the initial state is a product wavefunction. We show that at any finite time the correlation functions factorize in the limit $N \\to \\infty$. Furthermore, the limiting one particle density matrix satisfies the nonlinear Hartree equation. The key ingredients are the uniqueness of the BBGKY hierarchy for the correlation functions and a new apriori estimate for the many-body Schr\\"odinger equations.
NASA Astrophysics Data System (ADS)
Hartono, Albert; Lu, Qingda; Henretty, Thomas; Krishnamoorthy, Sriram; Zhang, Huaijian; Baumgartner, Gerald; Bernholdt, David E.; Nooijen, Marcel; Pitzer, Russell; Ramanujam, J.; Sadayappan, P.
2009-09-01
Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses two complementary aspects of performance optimization of such tensor contraction expressions. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions. The identification of common subexpressions among a set of tensor contraction expressions can result in a reduction of the total number of operations required to evaluate the tensor contractions. The first part of the paper describes an effective algorithm for operation minimization with common subexpression identification and demonstrates its effectiveness on tensor contraction expressions for coupled cluster equations. The second part of the paper highlights the importance of data layout transformation in the optimization of tensor contraction computations on modern processors. A number of considerations, such as minimization of cache misses and utilization of multimedia vector instructions, are discussed. A library for efficient index permutation of multidimensional tensors is described, and experimental performance data is provided that demonstrates its effectiveness.
Krishnamoorthy, Sriram [ORNL; Bernholdt, David E [ORNL; Pitzer, R. M. [Ohio State University; Sadayappan, Ponnuswamy [ORNL
2009-01-01
Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses two complementary aspects of performance optimization of such tensor contraction expressions. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions. The identification of common subexpressions among a set of tensor contraction expressions can result in a reduction of the total number of operations required to evaluate the tensor contractions. The first part of the paper describes an effective algorithm for operation minimization with common subexpression identification and demonstrates its effectiveness on tensor contraction expressions for coupled cluster equations. The second part of the paper highlights the importance of data layout transformation in the optimization of tensor contraction computations on modern processors. A number of considerations, such as minimization of cache misses and utilization of multimedia vector instructions, are discussed. A library for efficient index permutation of multidimensional tensors is described, and experimental performance data is provided that demonstrates its effectiveness.
Hartono, Albert; Lu, Qingda; henretty, thomas; Krishnamoorthy, Sriram; zhang, huaijian; Baumgartner, Gerald; Bernholdt, David E.; Nooijen, Marcel; Pitzer, Russell M.; Ramanujam, J.; Sadayappan, Ponnuswamy
2009-11-12
Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses two complementary aspects of performance optimization of such tensor contraction expressions. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions. The identification of common subexpressions among a set of tensor contraction expressions can result in a reduction of the total number of operations required to evaluate the tensor contractions. The first part of the paper describes an effective algorithm for operation minimization with common subexpression identification and demonstrates its effectiveness on tensor contraction expressions for coupled cluster equations. The second part of the paper highlights the importance of data layout transformation in the optimization of tensor contraction computations on modern processors. A number of considerations such as minimization of cache misses and utilization of multimedia vector instructions are discussed. A library for efficient index permutation of multi-dimensional tensors is described and experimental performance data is provided that demonstrates its effectiveness.
Short-time-evolved wave functions for solving quantum many-body problems
Ciftja, O.; Chin, Siu A.
2003-01-01
to a shadow wave function with an optimized Jastrow particle- particle pseudopotential ~OJ! and scaled Aziz HFDHE2 shadow-shadow pseudopotential ~AS!.24 GFMC is the Green?s-Function Monte Carlo calculations with Mcmillan form for importance... variational Monte Carlo calculation with the indi- cated wave function. All simulations use the Aziz HFDHE2 poten- tial and have been performed for systems of N5108 particles. The M1MS results are taken from Vitiello et al. ~Ref. 23!. The M 1AS and OJ...
Karaiskaj, Denis; Bristow, Alan D; Yang, Lijun; Dai, Xingcan; Mirin, Richard P; Mukamel, Shaul; Cundiff, Steven T
2010-03-19
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
Entanglement entropy from charge statistics: Exact relations for noninteracting many-body systems
NASA Astrophysics Data System (ADS)
Song, H. Francis; Flindt, Christian; Rachel, Stephan; Klich, Israel; Le Hur, Karyn
2011-04-01
We present an exact expression for the entanglement entropy generated at a quantum point contact between noninteracting electronic leads in terms of the full counting statistics of charge fluctuations, which we illustrate with examples from both equilibrium and nonequilibrium transport. The formula is also applicable to ground-state entanglement entropy in systems described by noninteracting fermions in any dimension, which in one dimension include the critical spin-1/2 XX and Ising models where conformal field theory predictions for the entanglement entropy are reproduced from the full counting statistics. These results may play an important role in experimental measurements of entanglement entropy in mesoscopic structures and cold atoms in optical lattices.
NASA Astrophysics Data System (ADS)
Abbaspour, Mohsen
2012-01-01
The Fowler's expression for calculation of the reduced surface tension and surface energy has been used with Lennard-Jones (LJ) and two-body Hartree-Fock dispersion (HFD)-like potentials for neon and argon, respectively. The required radial distribution functions (RDFs) have been used from two recently determined expressions in the literature and a new equation proposed in this work. Quantum corrections for neon system have been considered using the Feynman-Hibbs (FH) and Wigner-Kirkwood (WK) approaches. To take many-body forces into account for argon system, the simple three-body potentials of Wang and Sadus (2006) [33] and Hauschild and Prausnitz (1993) [30] used with the HFD-like potential without requiring an expensive three-body calculation. The results show that the quantum and three-body effects improve the prediction of the surface tension of liquid neon and argon using the Fowler's expression.
Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications
Truhlar, Donald G
to incorporate environmental effects on a molecule or active site is widely employed in quantum chemistry that including environmental point charges can lower the errors in the electrostatically embedded pairwise also test the accuracy of the EE-PA and EE-3B methods for a cluster of 21 water molecules and find
Bold-line Monte Carlo and the nonequilibrium physics of strongly correlated many-body systems
NASA Astrophysics Data System (ADS)
Cohen, Guy
2015-03-01
This talk summarizes real time bold-line diagrammatic Monte-Carlo approaches to quantum impurity models, which make significant headway against the sign problem by summing over corrections to self-consistent diagrammatic expansions rather than a bare diagrammatic series. When the bold-line method is combined with reduced dynamics techniques both local single-time properties and two time correlators such as Green functions can be computed at very long timescales, enabling studies of nonequilibrium steady state behavior of quantum impurity models and creating new solvers for nonequilibrium dynamical mean field theory. This work is supported by NSF DMR 1006282, NSF CHE-1213247, DOE ER 46932, TG-DMR120085 and TG-DMR130036, and the Yad Hanadiv-Rothschild Foundation.
Introduction to the Statistical Physics of Integrable Many-body Systems
NASA Astrophysics Data System (ADS)
Šamaj, Ladislav Å.; Bajnok, Zoltán
2013-05-01
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.
Bruno, Patrick
2012-06-15
The (Berry-Aharonov-Anandan) geometric phase acquired during a cyclic quantum evolution of finite-dimensional quantum systems is studied. It is shown that a pure quantum state in a (2J+1)-dimensional Hilbert space (or, equivalently, of a spin-J system) can be mapped onto the partition function of a gas of independent Dirac strings moving on a sphere and subject to the Coulomb repulsion of 2J fixed test charges (the Majorana stars) characterizing the quantum state. The geometric phase may be viewed as the Aharonov-Bohm phase acquired by the Majorana stars as they move through the gas of Dirac strings. Expressions for the geometric connection and curvature, for the metric tensor, as well as for the multipole moments (dipole, quadrupole, etc.), are given in terms of the Majorana stars. Finally, the geometric formulation of the quantum dynamics is presented and its application to systems with exotic ordering such as spin nematics is outlined. PMID:23004240
Double Decimation and Sliding Vacua in the Nuclear Many-Body System
Brown, G E; Rho, Mannque
2004-01-01
We propose that effective field theories for nuclei and nuclear matter comprise of "double decimation": (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown-Rho scaling recently identified as the parametric dependence intrinsic in the "vector manifestation" of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down to the scale at which the Fermi surface is formed as a quantum critical phenomenon. The next decimation to the top of the Fermi sea where standard nuclear physics is operative makes up the Fermi liquid decimation. Thus nuclear dynamics is dictated by two fixed points, namely, the vector manifestation fixed point and the Fermi liquid fixed point. It has been a prevalent practice in nuclear physics community to proceed with the second decimation only, assuming density independent masses. We show why most nuclear phenomena can be reproduced by theories using either density-independent, or density-dep...
A PRIORI ESTIMATES FOR MANY-BODY HAMILTONIAN EVOLUTION OF INTERACTING BOSON SYSTEM
MANOUSSOS G. GRILLAKIS; DIONISIOS MARGETIS
2008-01-01
We study the evolution of a many-particle system whose wave function obeys\\u000athe N-body Schroedinger equation under Bose symmetry. The system Hamiltonian\\u000adescribes pairwise particle interactions in the absence of an external\\u000apotential. We derive apriori dispersive estimates that express the overall\\u000arepulsive nature of the particle interactions. These estimates hold for a wide\\u000aclass of two-body interaction potentials which
Double Decimation and Sliding Vacua in the Nuclear Many-Body System
G. E. Brown; Mannque Rho
2003-05-29
We propose that effective field theories for nuclei and nuclear matter comprise of "double decimation": (1) the chiral symmetry decimation (CSD) and (2) Fermi liquid decimation (FLD). The Brown-Rho scaling recently identified as the parametric dependence intrinsic in the "vector manifestation" of hidden local symmetry theory of Harada and Yamawaki results from the first decimation. This scaling governs dynamics down to the scale at which the Fermi surface is formed as a quantum critical phenomenon. The next decimation to the top of the Fermi sea where standard nuclear physics is operative makes up the Fermi liquid decimation. Thus nuclear dynamics is dictated by two fixed points, namely, the vector manifestation fixed point and the Fermi liquid fixed point. It has been a prevalent practice in nuclear physics community to proceed with the second decimation only, assuming density independent masses. We show why most nuclear phenomena can be reproduced by theories using either density-independent, or density-dependent masses, a grand conspiracy of nature that is an aspect that could be tied to the Cheshire-Cat phenomenon in hadron physics. We identify what is left out in the Fermi liquid decimation that does not incorporate the CSD. Experiments such as the dilepton production in relativistic heavy ion reactions, which are specifically designed to observe effects of dropping masses, could exhibit large effects from the reduced masses. However they are compounded with effects that are not directly tied to chiral symmetry. We discuss a recent STAR/RHIC observation where BR scaling can be singled out in a pristine environment.
Asymptotic solutions in the many-body problem. II - Periodic orbits in four-body systems
P. G. D. Barkham; V. J. Modi; A. C. Soudack
1977-01-01
A small particle moves in the vicinity of two masses, forming a close binary, in orbit about a distant mass. Unique, uniformly valid solutions of this four-body problem are found for motion near both equilateral triangle points of the binary system in terms of a small parameter, where the primaries move in accordance with a uniformly-valid three-body solution. Accuracy is
Spin Structure of Many-Body Systems with Two-Body Random Interactions
Kaplan, L; Johnson, C W; Kaplan, Lev; Papenbrock, Thomas; Johnson, Calvin W.
2001-01-01
We investigate the spin structure of many-fermion systems with a spin-conserving two-body random interaction. We find a strong dominance of spin-0 ground states and considerable correlations between energies and wave functions of low-lying states with different spin, but no indication of pairing. The spectral densities exhibit spin-dependent shapes and widths, and depend on the relative strengths of the spin-0 and spin-1 couplings in the two-body random matrix. The spin structure of low-lying states can largely be explained analytically.
Image method for Coulomb energy for many-body system of charged dielectric spheres
NASA Astrophysics Data System (ADS)
Qin, Jian; de Pablo, Juan; Freed, Karl
2015-03-01
Ion polarization is important for understanding ion solvation and the stability of ion clusters in polymeric materials which typically exhibit a low and spatially inhomogeneous dielectric permittivity. The simplest approach for modeling ion polarization involves treating the ions as charged spheres with an internal dielectric permittivity differing from that of the medium. The surface polarization contribution to the electrostatic energy for a system of such dielectric spheres can be evaluated perturbatively. We derived closed-form expressions for this energy as a function of the positions of an arbitrary number of polarized surfaces. Our approach is a generalization of the image method for conducting spheres. Using this approach, we calculated the polarization corrections to the cohesion energy for ion clusters and for densely packed ionic crystals. The method can be readily adapted for investigating ion polarization effects in both Monte Carlo and molecular dynamics simulations.
NASA Astrophysics Data System (ADS)
Grond, Julian; Streltsov, Alexej I.; Lode, Axel U. J.; Sakmann, Kaspar; Cederbaum, Lorenz S.; Alon, Ofir E.
2013-08-01
We derive a general linear-response many-body theory capable of computing excitation spectra of trapped interacting bosonic systems, e.g., depleted and fragmented Bose-Einstein condensates (BECs). To obtain the linear-response equations we linearize the multiconfigurational time-dependent Hartree for bosons (MCTDHB) method, which provides a self-consistent description of many-boson systems in terms of orbitals and a state vector (configurations), and is in principle numerically exact. The derived linear-response many-body theory, which we term LR-MCTDHB, is applicable to systems with interaction potentials of general form. For the special case of a ? interaction potential we show explicitly that the response matrix has a very appealing bilinear form, composed of separate blocks of submatrices originating from contributions of the orbitals, the state vector (configurations), and off-diagonal mixing terms. We further give expressions for the response weights and density response. We introduce the notion of the type of excitations, useful in the study of the physical properties of the equations. From the numerical implementation of the LR-MCTDHB equations and solution of the underlying eigenvalue problem, we obtain excitations beyond available theories of excitation spectra, such as the Bogoliubov-de Gennes (BdG) equations. The derived theory is first applied to study BECs in a one-dimensional harmonic potential. The LR-MCTDHB method contains the BdG excitations and, also, predicts a plethora of additional many-body excitations which are out of the realm of standard linear response. In particular, our theory describes the exact energy of the higher harmonic of the first (dipole) excitation not contained in the BdG theory. We next study a BEC in a very shallow one-dimensional double-well potential. We find with LR-MCTDHB low-lying excitations which are not accounted for by BdG, even though the BEC has only little fragmentation and, hence, the BdG theory is expected to be valid. The convergence of the LR-MCTDHB theory is assessed by systematically comparing the excitation spectra computed at several different levels of theory.
Relativistic nuclear many-body theory
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
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.
Self-similar non-equilibrium dynamics of a many-body system with power-law interactions
Gutiérrez, Ricardo; Lesanovsky, Igor
2015-01-01
The influence of power-law interactions on the dynamics of many-body systems far from equilibrium is much less explored than their effect on static and thermodynamic properties. To gain insight into this problem we introduce and analyze here an out-of-equilibrium deposition process in which the deposition rate of a given particle depends as a power-law on the distance to previously deposited particles. Although rather simplistic this model draws its relevance from recent experimental progress in the domain of cold atomic gases which are studied in a setting where atoms that are excited to high-lying Rydberg states interact through power-law potentials that translate into power-law excitation rates. The out-of-equilibrium dynamics of this system turns out to be surprisingly rich. It features a self-similar evolution which leads to a characteristic power-law time dependence of observables such as the particle concentration and results in a scale invariance of the structure factor. Moreover, it displays a crosso...
D?ugosz, Maciej; Antosiewicz, Jan M
2015-07-01
Proper treatment of hydrodynamic interactions is of importance in evaluation of rigid-body mobility tensors of biomolecules in Stokes flow and in simulations of their folding and solution conformation, as well as in simulations of the translational and rotational dynamics of either flexible or rigid molecules in biological systems at low Reynolds numbers. With macromolecules conveniently modeled in calculations or in dynamic simulations as ensembles of spherical frictional elements, various approximations to hydrodynamic interactions, such as the two-body, far-field Rotne-Prager approach, are commonly used, either without concern or as a compromise between the accuracy and the numerical complexity. Strikingly, even though the analytical Rotne-Prager approach fails to describe (both in the qualitative and quantitative sense) mobilities in the simplest system consisting of two spheres, when the distance between their surfaces is of the order of their size, it is commonly applied to model hydrodynamic effects in macromolecular systems. Here, we closely investigate hydrodynamic effects in two and three-body systems, consisting of bead-shell molecular models, using either the analytical Rotne-Prager approach, or an accurate numerical scheme that correctly accounts for the many-body character of hydrodynamic interactions and their short-range behavior. We analyze mobilities, and translational and rotational velocities of bodies resulting from direct forces acting on them. We show, that with the sufficient number of frictional elements in hydrodynamic models of interacting bodies, the far-field approximation is able to provide a description of hydrodynamic effects that is in a reasonable qualitative as well as quantitative agreement with the description resulting from the application of the virtually exact numerical scheme, even for small separations between bodies. PMID:26068580
Few- and many-body physics of dipoles in ion traps and optical lattice simulators
Safavi-Naini, Arghavan
2014-01-01
The presence of strong interactions in quantum many-body systems makes the analytical treatment of such systems very difficult. In this thesis we explore two possible proposals for simulating strongly correlated, quantum ...
NASA Astrophysics Data System (ADS)
Diehl, S.; Baranov, M.; Daley, A. J.; Zoller, P.
2010-08-01
We analyze the ground-state phase diagram of attractive lattice bosons, which are stabilized by a three-body onsite hardcore constraint. A salient feature of this model is an Ising-type transition from a conventional atomic superfluid to a dimer superfluid with vanishing atomic condensate. The study builds on an exact mapping of the constrained model to a theory of coupled bosons with polynomial interactions, proposed in a related paper [S. Diehl, M. Baranov, A. Daley, and P. Zoller, Phys. Rev. B 82, 064509 (2010).10.1103/PhysRevB.82.064509]. In this framework, we focus by analytical means on aspects of the phase diagram which are intimately connected to interactions, and are thus not accessible in a mean-field plus spin-wave approach. First, we determine shifts in the mean-field phase border, which are most pronounced in the low-density regime. Second, the investigation of the strong coupling limit reveals the existence of a “continuous supersolid,” which emerges as a consequence of enhanced symmetries in this regime. We discuss its experimental signatures. Third, we show that the Ising-type phase transition, driven first order via the competition of long-wavelength modes at generic fillings, terminates into a true Ising quantum critical point in the vicinity of half filling.
Ivan Hubac
1974-01-01
A method for the calculation of singlet and triplet excitation energies, ionization potentials, and electron affinities by the many-body Rayleigh-Schrödinger perturbation theory is elaborated. In this method the excitation energies, ionization potentials, and electron affinities are given by an infinite sum of terms, each of which may be interpreted using the diagrammatic technique. Application of this method to systems described
Many-body phenomena in QED-cavity arrays [Invited
Tomadin, A. [Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences, A-6020 Innsbruck (Austria); Fazio, Rosario [NEST, Scuola Normale Superiore and INFM-CNR, Piazza dei Cavalieri 7, I-56126 Pisa (Italy)
2010-06-15
Coupled quantum electrodynamics (QED) cavities have been recently proposed as new systems to simulate a variety of equilibrium and nonequilibrium many-body phenomena. We present a brief review of their main properties together with a survey of the latest developments of the field and some perspectives concerning their experimental realizations and possible new theoretical directions.
Nuclear Many-Body Physics Where Structure And Reactions Meet
Naureen Ahsan; Alexander Volya
2009-06-24
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.
Strong Disorder Renormalization Group for the Many Body Localization Transition
NASA Astrophysics Data System (ADS)
Refael, Gil; Oganesyan, Vadim; Iyer, Shankar
2012-02-01
The strong disorder renormalization group, originally devised by Ma and Dasgupta to study the random Heisenberg antiferromagnet, has subsequently been used to investigate the low energy physics and quantum phase transitions of a variety of strongly disordered systems. However, recent work by Basko, Aleiner, and Altshuler has focused attention on the many body localization transition, a dynamical quantum phase transition that involves the localization of highly excited eigenstates of a many body system in Fock space. Numerical results from an exact diagonalization study by Pal and Huse suggest that the many body localization transition may exhibit so-called infinite-randomness, a property that implies that a strong disorder renormalization group may be well-suited to study this transition. With the many body localization transition in mind, we therefore outline a strong disorder renormalization procedure that targets the least-localized eigenstate of a model. We then apply this procedure to study disordered quantum Ising and XXZ models. The latter model is similar to the one investigated by Pal and Huse and is expected to contain a dynamical transition between localized and ergodic phases; our principal aim is to use the strong disorder RG to characterize this transition.
Gravitational Many-Body Problem
Makino, J. [Center for Computational Astrophysics, National Astronomical Observatory, Osawa, Mitaka, Tokyo 181 (Japan)
2008-04-29
In this paper, we briefly review some aspects of the gravitational many-body problem, which is one of the oldest problems in the modern mathematical science. Then we review our GRAPE project to design computers specialized to this problem.
Many body topics in condensed matter physics
NASA Astrophysics Data System (ADS)
Anduaga, Inaki Pablo
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).
Bipartite fluctuations as a probe of many-body entanglement
NASA Astrophysics Data System (ADS)
Song, H. Francis; Rachel, Stephan; Flindt, Christian; Klich, Israel; Laflorencie, Nicolas; Le Hur, Karyn
2012-01-01
We investigate in detail the behavior of the bipartite fluctuations of particle number N? and spin ?z in many-body quantum systems, focusing on systems where such U(1) charges are both conserved and fluctuate within subsystems due to exchange of charges between subsystems. We propose that the bipartite fluctuations are an effective tool for studying many-body physics, particularly its entanglement properties, in the same way that noise and full counting statistics have been used in mesoscopic transport and cold-atomic gases. For systems that can be mapped to a problem of noninteracting fermions, we show that the fluctuations and higher-order cumulants fully encode the information needed to determine the entanglement entropy as well as the full entanglement spectrum through the Rényi entropies. In this connection, we derive a simple formula that explicitly relates the eigenvalues of the reduced density matrix to the Rényi entropies of integer order for any finite density matrix. In other systems, particularly in one dimension, the fluctuations are in many ways similar but not equivalent to the entanglement entropy. Fluctuations are tractable analytically, computable numerically in both density matrix renormalization-group and quantum Monte Carlo calculations, and in principle accessible in condensed-matter and cold-atom experiments. In the context of quantum point contacts, measurement of the second charge cumulant showing a logarithmic dependence on time would constitute a strong indication of many-body entanglement.
Two problems in many-body physics
NASA Astrophysics Data System (ADS)
Wang, Cheng-Ching
In this dissertation, the applications of many-body physics in neutral bosons and electronic systems in transition metal oxides are discussed. In the first part of the thesis, I will introduce the concepts of Bose condensation, emphasize the significance of the order parameter in superfluids (macroscopic wave function), and its consequence such as the emergence of exotic vortex states under rotation. Dated back to the importance of the vortex dynamics in the properties of high Tc superconductors, people have introduced a dual vortex description to describe the dynamics of charged bosons in a magnetic field. Similarly, the dual description is adapted to the problems of neutral bosons under rotation. Based on that picture, vortices behave like charges in an effective magnetic field which has been known to demonstrate different quantum phases such as Wigner crystal phase, and fractional quantum Hall liquid phases depending on the relative fraction of the number of bosons and vortices. In this work, we would like to address the validity of the picture by low energy effective theory. We can identify the origin of the vortex masse and the parameter regimes in which the vortex dual description is appropriate. In the second part of the dissertation, density functional theory is used to describe the strongly correlated matters with local density approximation and local Hubbard U interaction(LDA+U). We are particularly interested in the interface states in the heterojunction systems of two different perovskite oxides. What we found is that the interface states can be engineered to appear in certain transitional metal oxide layers by controlling the number of positive and negative charged layers, leading to the formation of quantum wells in two dimension. This type of systems ignite the hope to search for broken symmetry states in the interface which can be tunable with chemical doping or electric field doping. Even room temperature superconducting state may or may not exist in the interface is still an intriguing issue.
Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system.
Henriksson, K O E; Björkas, C; Nordlund, K
2013-11-01
Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides-Fe3C (cementite) and Cr23C6-being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe. PMID:24113334
Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system
NASA Astrophysics Data System (ADS)
Henriksson, K. O. E.; Björkas, C.; Nordlund, K.
2013-11-01
Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides—Fe3C (cementite) and Cr23C6—being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe.
Two problems in many-body physics
Cheng-Ching Wang
2008-01-01
In this dissertation, the applications of many-body physics in neutral bosons and electronic systems in transition metal oxides are discussed. In the first part of the thesis, I will introduce the concepts of Bose condensation, emphasize the significance of the order parameter in superfluids (macroscopic wave function), and its consequence such as the emergence of exotic vortex states under rotation.
Michael Alan Sadd
1998-01-01
This thesis uses computational methods to investigate two very different many body problems. The first half develops a weighted spin-density approximation (WSDA) to the electronic exchange-correlation functional. The second half describes Monte Carlo simulations of the vortex excitation in superfluid helium. After reviewing in Chapter 1 the current status of electronic density functional theory, Chapter 2 develops a fully non-local
M. Dunn; D. K. Watson; J. G. Loeser
2006-07-19
In this paper, the second in a series of two, we complete the derivation of the lowest-order wave function of a dimensional perturbation theory (DPT) treatment for the N-body quantum-confined system. Taking advantage of the symmetry of the zeroth-order configuration, we use group theoretic techniques and the FG matrix method from quantum chemistry to obtain analytic results for frequencies and normal modes. This method directly accounts for each two-body interaction, rather than an average interaction so that even lowest-order results include beyond-mean-field effects. It is thus appropriate for the study of both weakly and strongly interacting systems and the transition between them. While previous work has focused on energies, lowest-order wave functions yield important information such as the nature of excitations and expectation values of physical observables at low orders including density profiles. Higher orders in DPT also require as input the zeroth-order wave functions. In the earlier paper we presented a program for calculating the analytic normal-mode coordinates of the large-D system and illustrated the procedure by deriving the two simplest normal modes. In this paper we complete this analysis by deriving the remaining, and more complex, normal coordinates of the system.
Many-body wave function in a dipole blockade configuration
Robicheaux, F.; Hernandez, J. V. [Department of Physics, Auburn University, Alabama 36849-5311 (United States)
2005-12-15
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.
Exploring many-body physics with ultracold atoms
NASA Astrophysics Data System (ADS)
LeBlanc, Lindsay Jane
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.
M. Dunn; D. K. Watson; J. G. Loeser
2006-03-17
In this paper we continue our development of a dimensional perturbation theory (DPT) treatment of N identical particles under quantum confinement. DPT is a beyond-mean-field method which is applicable to both weakly and strongly-interacting systems and can be used to connect both limits. In a previous paper we developed the formalism for low-order energies and excitation frequencies. This formalism has been applied to atoms, Bose-Einstein condensates and quantum dots. One major advantage of the method is that N appears as a parameter in the analytical expressions for the energy and so results for N up to a few thousand are easy to obtain. Other properties however, are also of interest, for example the density profile in the case of a BEC,and larger N results are desirable as well. The latter case requires us to go to higher orders in DPT. These calculations require as input zeroth-order wave functions and this paper, along with a subsequent paper, addresses this issue.
NASA Astrophysics Data System (ADS)
Reboredo, Fernando Agustín
2012-05-01
The self-healing diffusion Monte Carlo algorithm (SHDMC) [F. A. Reboredo, R. Q. Hood, and P. R. C. Kent, Phys. Rev. B 79, 195117 (2009);, 10.1103/PhysRevB.79.195117 F. A. Reboredo, Phys. Rev. B 80, 125110 (2009), 10.1103/PhysRevB.80.125110] is extended to study the ground and excited states of magnetic and periodic systems. The method converges to exact eigenstates as the statistical data collected increase if the wave function is sufficiently flexible. It is shown that the dimensionality of the nodal surface is dependent on whether phase is a scalar function or not. A recursive optimization algorithm is derived from the time evolution of the mixed probability density, which is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weight allows the phase of the fixed-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [G. Ortiz, D. M. Ceperley, and R. M. Martin, Phys Rev. Lett. 71, 2777 (1993), 10.1103/PhysRevLett.71.2777]. When used recursively it simultaneously improves the node and the phase. The algorithm is demonstrated to converge to nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The computational cost is proportional to the number of independent degrees of freedom of the phase. The method is applied to obtain low-energy excitations of Hamiltonians with magnetic field. Periodic boundary conditions are also considered optimizing wave functions with twisted boundary conditions which are included in a many-body Bloch phase. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed.
Stochastic gene expression as a many-body problem
Sasai, Masaki; Wolynes, Peter G.
2003-01-01
Gene expression has a stochastic component because of the single-molecule nature of the gene and the small number of copies of individual DNA-binding proteins in the cell. We show how the statistics of such systems can be mapped onto quantum many-body problems. The dynamics of a single gene switch resembles the spin-boson model of a two-site polaron or an electron transfer reaction. Networks of switches can be approximately described as quantum spin systems by using an appropriate variational principle. In this way, the concept of frustration for magnetic systems can be taken over into gene networks. The landscape of stable attractors depends on the degree and style of frustration, much as for neural networks. We show the number of attractors, which may represent cell types, is much smaller for appropriately designed weakly frustrated stochastic networks than for randomly connected networks. PMID:12606710
Sufficient conditions for superstability of many-body interactions
Tertychnyi, Maksym
2008-01-01
A detailed analysis of necessary conditions on a family of many-body potentials, which ensure stability, superstability or strong superstability of a statistical system is given in present work.There has been given also an example of superstable many-body interaction.
Sufficient conditions for superstability of many-body interactions
Maksym Tertychnyi
2008-05-08
A detailed analysis of necessary conditions on a family of many-body potentials, which ensure stability, superstability or strong superstability of a statistical system is given in present work.There has been given also an example of superstable many-body interaction.
Many-body mobility edge due to symmetry-constrained dynamics and strong interactions
NASA Astrophysics Data System (ADS)
Mondragon-Shem, Ian; Pal, Arijeet; Laumann, Chris; Hughes, Taylor
2015-03-01
Many-body localization at a finite energy density inhibits thermalization and opens the possibility to study macroscopic quantum phenomena in highly excited states. The system transitions from an ergodic to a nonergodic phase at a critical energy density defined to be the many-body mobility edge. We present a mechanism for the formation of a many-body mobility edge in disordered systems with strong interactions, that satisfy conservation laws. The strong interaction spectrally differentiates eigenstates at positive temperature from those at negative temperature based on correlations, whose quantum dynamics differ dramatically due to the conservation laws. Upon introducing disorder, this difference in the dynamics can lead to an energy-dependent onset of many-body localization, thus leading to the formation of a many-body mobility edge. We exemplify this mechanism in the strongly anisotropic spin- 1 / 2 XXZ model in a random field, whose dynamics is constrained by the conservation of total spin projection. We compute a set of diagnostic quantities that verify the presence of a mobility edge in this model. Furthermore, we discuss how introducing correlated disorder in the model can enhance this effect and stabilize the mobility edge itself.
Many-body fits of phase-equivalent effective interactions
Johnson, Calvin W. [Department of Physics, San Diego State University, 5500 Campanile Drive, San Diego, California 92182-1233 (United States)
2010-09-15
In many-body theory, it is often useful to renormalize short-distance, high-momentum components of an interaction via unitary transformations. Such transformations preserve the on-shell physical observables of the two-body system (mostly phase shifts, hence unitarily connected effective interactions are often called phase equivalent) while modifying off-shell T-matrix elements influential in many-body systems. In this paper, I lay out a general and systematic approach for controlling the off-shell behavior of an effective interaction, which can be adjusted to many-body properties, and present an application to trapped fermions at the unitary limit.
Many-body effects in semiconductor lasers
Chow, W.W.
1995-03-01
A microscopic theory, that is based on the coupled Maxwell-semiconductor-Bloch equations, is used to investigate the effects of many-body Coulomb interactions in semiconductor laser devices. This paper describes two examples where the many-body effects play important roles. Experimental data supporting the theoretical results are presented.
Antun Balaz; Ivana Vidanovic; Aleksandar Bogojevic; Aleksandar Belic; Axel Pelster
2011-03-04
Based on a previously developed recursive approach for calculating the short-time expansion of the propagator for systems with time-independent potentials and its time-dependent generalization for simple single-particle systems, in this paper we present a full extension of this formalism to a general quantum system with many degrees of freedom in a time-dependent potential. Furthermore, we also present a recursive approach for the velocity-independent part of the effective potential, which is necessary for calculating diagonal amplitudes and partition functions, as well as an extension from the imaginary-time formalism to the real-time one, which enables to study the dynamical properties of quantum systems. The recursive approach developed here allows an analytic derivation of the short-time expansion to orders that have not been accessible before, using the implemented SPEEDUP symbolic calculation code. The analytically derived results are extensively numerically verified by treating several models in both imaginary and real time.
Dynamical Stability of a Many-body Kapitza Pendulum
Roberta Citro; Emanuele G. Dalla Torre; Luca DÁlessio; Anatoli Polkovnikov; Mehrtash Babadi; Takashi Oka; Eugene Demler
2015-01-22
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.
Many-Body Transition in a Spin-Orbit Coupled Bose-Einstein Condensate
NASA Astrophysics Data System (ADS)
Poon, Jeffrey T. F.; Liu, Xiong-Jun
2015-03-01
In quantum mechanics, a resonant Rabi oscillation can occur between two degenerate single-particle states when such two states are subject to external perturbations. This phenomenon can be qualitatively different in the interacting regime. In this work, we study a spin-orbit coupled Bose-Einstein condensate with degenerate many-body states and examine the transitions between such states. We find that due to the particle-particle interactions the many-body transitions between such degenerate states are completely different from the physics in single-particle systems. Both the numerical and analytic results will be discussed.
Local conservation laws and the structure of the many-body localized states.
Serbyn, Maksym; Papi?, Z; Abanin, Dmitry A
2013-09-20
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
Many-body approach to crystal-field theory
Christian Brouder
2005-01-01
A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. We use nonequilibrium many-body theory to write the energy of the interacting system as a function of the density matrix of the noninteracting system. A variation of the energy with respect to the density matrix gives an effective Hamiltonian
Towards Efficient and General Method for Many-Body van-der-Waals Interactions
NASA Astrophysics Data System (ADS)
Tkatchenko, Alexandre
2012-02-01
Van der Waals interactions are intrinsically many-body phenomena, arising from collective electron fluctuations in a given material. Adiabatic connection fluctuation-dissipation theorem (ACFDT) allows to compute the many-body vdW interactions accurately. However, the ACFDT computational cost is prohibitive for real materials, even when the random-phase approximation is employed for the response function. We show how the problem of computing the long-range many-body vdW energy for real systems can be solved efficiently by mapping the system (molecule or condensed matter) onto a collection of quantum harmonic oscillators. Currently, our method, which couples density-functional theory with the many-body dispersion energy (DFT+MBD), is developed for non-metallic system [A. Tkatchenko, R. A. DiStasio Jr., R. Car, M. Scheffler, submitted]. The DFT+MBD method includes the hybridization effects by using the Tkatchenko-Scheffler approach [PRL 102, 073005 (2009)], the long-range Coulomb screening through classical electrodynamics [B. U. Felderhof, Physica 29, 1569 (1974)], and the many-body vdW energy from the coupled-fluctuating dipole model [M. W. Cole et al., Mol. Simul. 35, 849 (2009)]. The successes of the DFT+MBD approach and the many challenges that lie ahead will be discussed.
NASA Astrophysics Data System (ADS)
Réal, Florent; Vallet, Valérie; Flament, Jean-Pierre; Masella, Michel
2013-09-01
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.
Nonequilibrium dissipation-driven steady many-body entanglement
NASA Astrophysics Data System (ADS)
Bellomo, Bruno; Antezza, Mauro
2015-04-01
We study an ensemble of two-level quantum systems (qubits) interacting with a common electromagnetic field in the 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 field allows the production of steady many-body entangled states, different from the case at thermal equilibrium where steady states are always nonentangled. 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 ? m .
Many-Body Effect in Electrorheological Responses
Zuowei Wang; Zhifang Lin; Ruibao Tao
1996-01-01
The many-body effect in the kinetic responses of ER fluids is studied by a moleculardynamic simulation method. The mutual polarization effects of the particles are considered by self-consistently calculating the dipole strength on each particle according to the external field and the dipole field due to all the other particles in the fluids. The many-body effect is found to increase
CLASSICAL AND QUANTUM MANY-BODY DESCRIPTION
Knoll, Jörn
collisions, to gluon radiation in QCD transport, or parton kinetics and to neutrino and axion radiation from-matter radiation cross sections are suggested in terms of standard transport coe cients. The ra- diation rates collisions, the gluon or parton radiation and absorption in QCD transport and its practical implementation
Many body theory of stochastic gene expression
NASA Astrophysics Data System (ADS)
Walczak, Aleksandra M.
The regulation of expression states of genes in cells is a stochastic process. The relatively small numbers of protein molecules of a given type present in the cell and the nonlinear nature of chemical reactions result in behaviours, which are hard to anticipate without an appropriate mathematical development. In this dissertation, I develop theoretical approaches based on methods of statistical physics and many-body theory, in which protein and operator state dynamics are treated stochastically and on an equal footing. This development allows me to study the general principles of how noise arising on different levels of the regulatory system affects the complex collective characteristics of systems observed experimentally. I discuss simple models and approximations, which allow for, at least some, analytical progress in these problems. These have allowed us to understand how the operator state fluctuations may influence the steady state properties and lifetimes of attractors of simple gene systems. I show, that for fast binding and unbinding from the DNA, the operator state may be taken to be in equilibrium for highly cooperative binding, when predicting steady state properties as is traditionally done. Nevertheless, if proteins are produced in bursts, the DNA binding state fluctuations must be taken into account explicitly. Furthermore, even when the steady state probability distributions are weakly influenced by the operator state fluctuations, the escape rate in biologically relevant regimes strongly depends on transcription factor-DNA binding rates.
Probing many-body physics with an optical lattice clock
NASA Astrophysics Data System (ADS)
Bishof, Michael; Martin, Michael J.; Swallows, Matthew D.; Benko, Craig; von Stecher, Javier; Gorshkov, Alexey V.; Rey, Ana Maria; Ye, Jun
2012-06-01
Advances in ultra-stable lasers now permit sub-Hz resolution of optical atomic transitions. At this level, interactions can dominate dynamics of the interrogated atoms, even for ultracold spin-polarized fermions. Density dependent frequency shifts of the ^1S0 to ^3P0 clock transition were first observed in ^87Sr [1]. Originally, this effect was attributed to s-wave interactions enabled by inhomogeneous excitations [2,3]. More recently, evidence for p-wave interactions was reported in ^171Yb [4]. Understanding interactions in theses systems is necessary to improve clock accuracy and stability. Moreover, such an understanding will enable optical lattice clock systems to serve as quantum simulators for open, driven, strongly-interacting quantum systems at the mesoscopic scale. We present a comprehensive evaluation and understanding of the interactions present in a ^87Sr optical lattice clock system under various conditions using a mean-field theory. The regime in which only a genuine many-body treatment can properly describe our system is within immediate experimental reach.[4pt] [1] G. Campbell et al., Science 324, 360 (2009). [2] A. M. Rey et al., PRL 103, 260402 (2009). [3] K. Gibble, PRL 103, 113202 (2009). [4] N. D. Lemke et al., PRL 107, 103902 (2011).
N. Spyrou
1979-01-01
It is proved that the post-Newtonian general relativistic center of rest mass of a bounded physical system composed of a number of bodies characterized by finite dimensions, arbitrary internal structure, and arbitrary internal motions cannot in general move uniformly, contrary to what was conventionally accepted up to now. Mathematical expressions are derived and discussed describing, in terms of the above
PREFACE: 17th International Conference on Recent Progress in Many-Body Theories (MBT17)
NASA Astrophysics Data System (ADS)
Reinholz, Heidi; Boronat, Jordi
2014-08-01
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.
How to detect many body localization in experiments
NASA Astrophysics Data System (ADS)
Nandkishore, Rahul
2015-03-01
The standard theory of many body localization (MBL) is framed in terms of exact eigenstates of perfectly isolated quantum systems. However, exact eigenstates can neither be prepared nor measured in the laboratory, and perfectly isolated quantum systems are equally unrealizable. In this talk I explain how MBL can be reformulated without invoking exact eigenstates or perfect isolation. I introduce a way to think about MBL in terms of correlation functions of local operators, evaluated in arbitrary states. This perspective reformulates the standard theory in terms of (in principle) experimentally measurable quantities. Moreover, this ``spectral'' perspective on MBL is far more robust than the conventional ``eigenstate'' perspective. Eigenstates thermalize upon arbitrarily weak coupling to an external environment, but the correlation functions (which are the physical observables) continue to show signatures of MBL as long as the coupling to the environment is weaker than the characteristic energy scales in the system Hamiltonian. I also show how this ``spectral perspective'' can be used to reveal additional structure in the MBL phase, and to make progress on otherwise intractable theory problems. Collaborators: Sarang Gopalakrishnan, David Huse, Sonika Johri, Ravin Bhatt.
Many-body van der Waals interactions in molecules and condensed matter.
DiStasio, Robert A; Gobre, Vivekanand V; Tkatchenko, Alexandre
2014-05-28
This work reviews the increasing evidence that many-body van der Waals (vdW) or dispersion interactions play a crucial role in the structure, stability and function of a wide variety of systems in biology, chemistry and physics. Starting with the exact expression for the electron correlation energy provided by the adiabatic connection fluctuation-dissipation theorem, we derive both pairwise and many-body interatomic methods for computing the long-range dispersion energy by considering a model system of coupled quantum harmonic oscillators within the random-phase approximation. By coupling this approach to density functional theory, the resulting many-body dispersion (MBD) method provides an accurate and efficient scheme for computing the frequency-dependent polarizability and many-body vdW energy in molecules and materials with a finite electronic gap. A select collection of applications are presented that ascertain the fundamental importance of these non-bonded interactions across the spectrum of intermolecular (the S22 and S66 benchmark databases), intramolecular (conformational energies of alanine tetrapeptide) and supramolecular (binding energy of the 'buckyball catcher') complexes, as well as molecular crystals (cohesive energies in oligoacenes). These applications demonstrate that electrodynamic response screening and beyond-pairwise many-body vdW interactions--both captured at the MBD level of theory--play a quantitative, and sometimes even qualitative, role in describing the properties considered herein. This work is then concluded with an in-depth discussion of the challenges that remain in the future development of reliable (accurate and efficient) methods for treating many-body vdW interactions in complex materials and provides a roadmap for navigating many of the research avenues that are yet to be explored. PMID:24805055
Spatially partitioned many-body vortices
Shachar Klaiman; Ofir E. Alon
2014-12-14
A vortex in Bose-Einstein condensates is a localized object which looks much like a tiny tornado storm. It is well described by mean-field theory. In the present work we go beyond the current paradigm and introduce many-body vortices. These are made of {\\it spatially-partitioned} clouds, carry definite total angular momentum, and are fragmented rather than condensed objects which can only be described beyond mean-field theory. A phase diagram based on a mean-field model assists in predicting the parameters where many-body vortices occur. Implications are briefly discussed.
Many-body singlets by dynamic spin polarization
Wang Yao
2011-01-20
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.
Symmetries and self-similarity of many-body wavefunctions
Piotr Migda?
2014-12-21
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.
Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence
NASA Astrophysics Data System (ADS)
Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J. L.; Liu, Ren-Bao
2014-09-01
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.
Uncovering many-body correlations in nanoscale nuclear spin baths by central spin decoherence
Ma, Wen-Long; Wolfowicz, Gary; Zhao, Nan; Li, Shu-Shen; Morton, John J.L.; Liu, Ren-Bao
2014-01-01
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
Donald P. Visco Jr.; Surajit Sen
1998-01-01
We report extensive numerical studies of the dynamics of a classical particle in an anharmonic one-dimensional potential while it is harmonically coupled to three different many-particle systems. The studies address the comparatively simpler dynamical problem when the energy of the anharmonic oscillator is sufficiently low. The first model is one in which the many-particle system is a chain of harmonic
Many-Body Localization Implies that Eigenvectors are Matrix-Product States.
Friesdorf, M; Werner, A H; Brown, W; Scholz, V B; Eisert, J
2015-05-01
The phenomenon of many-body localization has received a lot of attention recently, both for its implications in condensed-matter physics of allowing systems to be an insulator even at nonzero temperature as well as in the context of the foundations of quantum statistical mechanics, providing examples of systems showing the absence of thermalization following out-of-equilibrium dynamics. In this work, we establish a novel link between dynamical properties-a vanishing group velocity and the absence of transport-with entanglement properties of individual eigenvectors. For systems with a generic spectrum, we prove that strong dynamical localization implies that all of its many-body eigenvectors have clustering correlations. The same is true for parts of the spectrum, thus allowing for the existence of a mobility edge above which transport is possible. In one dimension these results directly imply an entanglement area law; hence, the eigenvectors can be efficiently approximated by matrix-product states. PMID:25978216
Many-Body Localization Implies that Eigenvectors are Matrix-Product States
NASA Astrophysics Data System (ADS)
Friesdorf, M.; Werner, A. H.; Brown, W.; Scholz, V. B.; Eisert, J.
2015-05-01
The phenomenon of many-body localization has received a lot of attention recently, both for its implications in condensed-matter physics of allowing systems to be an insulator even at nonzero temperature as well as in the context of the foundations of quantum statistical mechanics, providing examples of systems showing the absence of thermalization following out-of-equilibrium dynamics. In this work, we establish a novel link between dynamical properties—a vanishing group velocity and the absence of transport—with entanglement properties of individual eigenvectors. For systems with a generic spectrum, we prove that strong dynamical localization implies that all of its many-body eigenvectors have clustering correlations. The same is true for parts of the spectrum, thus allowing for the existence of a mobility edge above which transport is possible. In one dimension these results directly imply an entanglement area law; hence, the eigenvectors can be efficiently approximated by matrix-product states.
Reboredo, Fernando A [ORNL
2012-01-01
The self-healing diffusion Monte Carlo algorithm (SHDMC) [Reboredo, Hood and Kent, Phys. Rev. B {\\bf 79}, 195117 (2009), Reboredo, {\\it ibid.} {\\bf 80}, 125110 (2009)] is extended to study the ground and excited states of magnetic and periodic systems. A recursive optimization algorithm is derived from the time evolution of the mixed probability density. The mixed probability density is given by an ensemble of electronic configurations (walkers) with complex weight. This complex weigh allows the amplitude of the fix-node wave function to move away from the trial wave function phase. This novel approach is both a generalization of SHDMC and the fixed-phase approximation [Ortiz, Ceperley and Martin Phys Rev. Lett. {\\bf 71}, 2777 (1993)]. When used recursively it improves simultaneously the node and phase. The algorithm is demonstrated to converge to the nearly exact solutions of model systems with periodic boundary conditions or applied magnetic fields. The method is also applied to obtain low energy excitations with magnetic field or periodic boundary conditions. The potential applications of this new method to study periodic, magnetic, and complex Hamiltonians are discussed.
NASA Astrophysics Data System (ADS)
Rodrigues, Clóves G.; Vasconcellos, Áurea R.; Ramos, J. Galvão; Luzzi, Roberto
2015-02-01
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.
NASA Astrophysics Data System (ADS)
Shepherd, James J.; Grüneis, Andreas; Booth, George H.; Kresse, Georg; Alavi, Ali
2012-07-01
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.
Recent Progress in Many-Body Theories: Proceedings of the 12th International Conference
NASA Astrophysics Data System (ADS)
Carlson, Joseph A.; Ortiz, Gerardo
2006-07-01
Preface -- International advisory committee -- Feenberg medal session. Surface and superconductivity / L. P. Gor'kov. Spartak T. Belyaev - recipient of the Feenberg Medal / V. Zelevinsky. Many-body physics and spontaneous symmetry breaking / S. T. Belyaev -- Keynote speaker. The future lies ahead / P. W. Anderson -- Strongly correlated systems and phase transitions. Exact results for many-body problems using few-body methods / J. Cardy. Quantum matters: physics beyond Landau's paradigms / T. Senthil. Microscopic calculations of quantum phase transitions in frustrated magnetic lattices / R. F. Bishop & S. E. Krüger. Recent applications of the DMRG method / K. Hallberg. Functional renormalization group in the 2D Hubbard model / C. Honerkamp. Quantum phase transitions and event horizons: condensed matter analogies / G. Chapline. Spin-charge separation and topological phase transitions in Aharnov-Bohm rings of interacting electrons / B. Normand ... [et al.] -- Quantum fluids and solids. Two-particle-two-hole excitations in [symbol]He / E. Krotscheck, H. M. Böhm & K. Schörkhuber. Monolayer charged quantum films: a quantum simulation study / K. Wierschem & E. Manousakis. Can inconmensuration stabilize a superfluid phase of para-hydrogen? / M. Boninsegni. Analysis of the interatomic potential of the helium systems / S. Ujevic & S. A. Vitiello -- Nuclear physics and QCD. Quantum phase transitions in mesoscopic systems / F. Iachello. Nuclear-structure theory in the search for new fundamental physics / J. Engel. Matter at extreme density and its role in neutron stars and supernova / S. Reddy. New approaches to strong coupling lattice QCD / S. Chandrasekharan. Nuclear interactions from the renormalization group / A. Schwenk. Random interactions and ground state spin of finite Fermi systems / V. Zelevinsky & A. Volya -- Cold atoms and quantum information. Superfluid regimes in degenerate atomic fermi gases / G. V. Shlyapnikov. Bosons in optical lattices / S. L. Rolston. Generalized entanglement and quantum phase transitions / R. Somma ... [et al.]. Ground state of many-body lattice systems via a central limit theorem / C. Presilla & M. Ostilli. Effects of a single quantum spin on Josephson oscillations / M. Hru\\vska ... [et al.] -- Complex systems. Spin textures and random fields in dirty quantum hall ferromagnets / J. T. Chalker. Dissipative quantum disordered models / L. F. Cugliandolo. Possibly exact solution for the multicritical point of finite-dimensional spin glasses / H. Nishimori, K. Takeda & T. Sasamoto. From statistical physics methods to algorithms / D. Battaglia, M. Kola? & R. Zecchina.
Machine learning for many-Body physics
NASA Astrophysics Data System (ADS)
Arsenault, Louis-Francois; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Millis, Andrew J.
2015-03-01
We investigate the application to many-body physics of Machine Learning (ML) methods for predicting new results from accumulated knowledge. We show that ML can be used efficiently for the Anderson impurity model (AIM) and present preliminary results on its use as a solver for dynamical mean field theory (DMFT). We establish that the best representation of the Green's function for ML is by parametrizing it as an expansion in term of Legendre polynomials. In DMFT applications, a key issue is the choice of descriptor, the data representation used as input for ML, which is not dependent on the impurity solver. Different parametrizations are examined. The ability to distinguish metallic and Mott insulating solutions is analysed. DOE No. 3F-3138.
Purification and Many-Body Localization in Cold Atomic Gases
NASA Astrophysics Data System (ADS)
Andraschko, Felix; Enss, Tilman; Sirker, Jesko
2014-11-01
We propose to observe many-body localization in cold atomic gases by realizing a Bose-Hubbard chain with binary disorder and studying its nonequilibrium dynamics. In particular, we show that measuring the difference in occupation between even and odd sites, starting from a prepared density-wave state, provides clear signatures of localization. Furthermore, we confirm as hallmarks of the many-body localized phase a logarithmic increase of the entanglement entropy in time and Poissonian level statistics. Our numerical density-matrix renormalization group calculations for infinite system size are based on a purification approach; this allows us to perform the disorder average exactly, thus producing data without any statistical noise and with maximal simulation times of up to a factor 10 longer than in the clean case.
Quantum simulations with 8?8?Sr+? ions on planar lattice traps
Lin, Ziliang (Ziliang Carter)
2008-01-01
Quantum simulations are the use of well controlled many-body quantum systems to simulate and solve other many-body quantum systems that are not understood. This thesis describes theoretical proposals and experimental ...
Machine learning for many-body physics: The case of the Anderson impurity model
NASA Astrophysics Data System (ADS)
Arsenault, Louis-François; Lopez-Bezanilla, Alejandro; von Lilienfeld, O. Anatole; Millis, Andrew J.
2014-10-01
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.
Diabatic-ramping spectroscopy of many-body excited states
NASA Astrophysics Data System (ADS)
Yoshimura, Bryce; Campbell, W. C.; Freericks, J. K.
2014-12-01
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.
Kim, Jeongnim [ORNL] [ORNL; Reboredo, Fernando A [ORNL] [ORNL
2014-01-01
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.
The fate of dynamical many-body localization in the presence of disorder
Analabha Roy; Arnab Das
2015-03-02
Dynamical localization is one of the most startling manifestations of quantum interference, where the evolution of a simple system is frozen out under a suitably tuned coherent periodic drive. Here, we show that, although any randomness in the interactions of a many body system kills dynamical localization eventually, spectacular remnants survive even when the disorder is strong. We consider a disordered quantum Ising chain where the transverse magnetization relaxes exponentially with time with a decay time-scale $\\tau$ due to random longitudinal interactions between the spins. We show that, under external periodic drive, this relaxation slows down ($\\tau$ shoots up) by orders of magnitude as the ratio of the drive frequency $\\omega$ and amplitude $h_{0}$ tends to certain specific values (the freezing condition). If $\\omega$ is increased while maintaining the ratio $h_0/\\omega$ at a fixed freezing value, then $\\tau$ diverges exponentially with $\\omega.$ The results can be easily extended for a larger family of disordered fermionic and bosonic systems.
Many Body Physics with Coupled Transmission Line Resonators
Martin Leib; Michael J. Hartmann
2012-08-01
We present the Josephson junction intersected superconducting transmission line resonator. In contrast to the Josephson parametric amplifier, Josephson bifurcation amplifier and Josephson parametric converter we consider the regime of few microwave photons. We review the derivation of eigenmode frequencies and zero point fluctuations of the nonlinear transmission line resonator and the derivation of the eigenmode Kerr nonlinearities. Remarkably these nonlinearities can reach values comparable to Transmon qubits rendering the device ideal for accessing the strongly correlated regime. This is particularly interesting for investigation of quantum many-body dynamics of interacting particles under the influence of drive and dissipation. We provide current profiles for the device modes and investigate the coupling between resonators in a network of nonlinear transmission line resonators.
Many body exciton due to Fano resonance in graphene
NASA Astrophysics Data System (ADS)
Yadav, Premlata; Ghosh, Subhasis
2015-06-01
The excitonic effect is thought to be generally unimportant in zero gap systems (at K point of the Brillouin zone) like monolayer graphene, but excitonic transition in graphene at the saddle point (M) of Brillouin zone has received increasing attentions. There are two important issues with excitons in graphene. Firstly: in contrast to excitonic transitions in semiconductors the line shape of excitonic peaks in graphene is asymmetric which is due to Fano resonance, a many body coupling between discrete excitonic state and continuous band states, Secondly due to many body effects the excitonic peak is sensitive to dielectric environment. Hence it is desirable to vary the dielectric environment of graphene without varying carrier concentration. To investigate this completely new method for obtaining graphene monolayer has been developed using chemical exfoliation technique. We show that there is shift in excitonic peak position with change in the dielectric environment of graphene and this has been achieved by varying Fermi velocity without varying the carrier concentration. The observed distinctive effect is decrease in exciton binding energy with increase in dielectric value of exfoliating solvents, resulting into a scaling relation between the dielectric environment and the exciton binding energy of graphene.
Many-body localisation implies that eigenvectors are matrix-product states
M. Friesdorf; A. H. Werner; W. Brown; V. B. Scholz; J. Eisert
2014-11-18
The phenomenon of many-body localisation received a lot of attention recently, both for its implications in condensed-matter physics of allowing systems to be an insulator even at non-zero temperature as well as in the context of the foundations of quantum statistical mechanics, providing examples of systems showing the absence of thermalisation following out-of-equilibrium dynamics. In this work, we establish a novel link between dynamical properties - the absence of a group velocity and transport - with entanglement properties of individual eigenvectors. Using Lieb-Robinson bounds and filter functions, we prove rigorously under simple assumptions on the spectrum that if a system shows strong dynamical localisation, all of its many-body eigenvectors have clustering correlations. In one dimension this implies directly an entanglement area law, hence the eigenvectors can be approximated by matrix-product states. We also show this statement for parts of the spectrum, allowing for the existence of a mobility edge above which transport is possible.
High precision module for Chaos Many-Body Engine
Grossu, I V; Felea, D; Jipa, Al
2014-01-01
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.
Quantum chaotic system as a model of decohering environment
Jayendra N. Bandyopadhyay
2009-04-24
As a model of decohering environment, we show that quantum chaotic system behave equivalently as many-body system. An approximate formula for the time evolution of the reduced density matrix of a system interacting with a quantum chaotic environment is derived. This theoretical formulation is substantiated by the numerical study of decoherence of two qubits interacting with a quantum chaotic environment modeled by a chaotic kicked top. Like the many-body model of environment, the quantum chaotic system is efficient decoherer, and it can generate entanglement between the two qubits which have no direct interaction.
Spin excitations in solids from many-body perturbation theory.
Friedrich, Christoph; Sa??o?lu, Ersoy; Müller, Mathias; Schindlmayr, Arno; Blügel, Stefan
2014-01-01
Collective spin excitations form a fundamental class of excitations in magnetic materials. As their energy reaches down to only a few meV, they are present at all temperatures and substantially influence the properties of magnetic systems. To study the spin excitations in solids from first principles, we have developed a computational scheme based on many-body perturbation theory within the full-potential linearized augmented plane-wave (FLAPW) method. The main quantity of interest is the dynamical transverse spin susceptibility or magnetic response function, from which magnetic excitations, including single-particle spin-flip Stoner excitations and collective spin-wave modes as well as their lifetimes, can be obtained. In order to describe spin waves we include appropriate vertex corrections in the form of a multiple-scattering T matrix, which describes the coupling of electrons and holes with different spins. The electron-hole interaction incorporates the screening of the many-body system within the random-phase approximation. To reduce the numerical cost in evaluating the four-point T matrix, we exploit a transformation to maximally localized Wannier functions that takes advantage of the short spatial range of electronic correlation in the partially filled d or f orbitals of magnetic materials. The theory and the implementation are discussed in detail. In particular, we show how the magnetic response function can be evaluated for arbitrary k points. This enables the calculation of smooth dispersion curves, allowing one to study fine details in the k dependence of the spin-wave spectra. We also demonstrate how spatial and time-reversal symmetry can be exploited to accelerate substantially the computation of the four-point quantities. As an illustration, we present spin-wave spectra and dispersions for the elementary ferromagnet bcc Fe, B2-type tetragonal FeCo, and CrO? calculated with our scheme. The results are in good agreement with available experimental data. PMID:24577607
Wang, Daw-Wei
as a function of the photoex- cited electron-hole density [79]. This striking lack of any dependence a function of carrier density) in 1D quantum wires due to a near exact cancellation between the redshift aris-exciton Wannier equa- tion, several commonly used excitonic concepts, such as exciton radius, binding energy
Many-Body meets QM/MM: Application to indole in water solution
Conte, Adriano Mosca; Del Sole, Rodolfo; Carloni, Paolo; Pulci, Olivia
2008-01-01
Spectral properties of chromophores are used to probe complex biological processes in vitro and in vivo, yet how the environment tunes their optical properties is far from being fully understood. Here we present a method to calculate such properties on large scale systems, like biologically relevant molecules in aqueous solution. Our approach is based on many body perturbation theory combined with quantum-mechanics/molecular-mechanics (QM/MM) approach. We show here how to include quasi-particle and excitonic effects for the calculation of optical absorption spectra in a QM/MM scheme. We apply this scheme, together with the well established TDDFT approach, to indole in water solution. Our calculations show that the solvent induces a redshift in the main spectral peak of indole, in quantitative agreement with the experiments and point to the importance of performing averages over molecular dynamics configurations for calculating optical properties.
Investigation of many-body forces in krypton and xenon
Salacuse, J.J.; Egelstaff, P.A.
1988-10-15
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.
Matter wave optical techniques for probing many-body targets
Sanders, Scott Nicholas
2010-01-01
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 ...
The covariant many-body problem in quantumelectrodynamics
NASA Astrophysics Data System (ADS)
Barut, A. O.
1991-04-01
The two-body covariant equation recently applied to QED problems is here generalized to N spin 1/2 particles interacting via the exchange of massless vector bosons and derived from an action principle. This is a nonperturbative one-time equation whose Hamiltonian is additive in the center of mass and relative variables. All recoil corrections and radiative effects are included. In this formulation, the relativistic many-body problem has the same structure as the Schrödinger many-body problem.
NASA Astrophysics Data System (ADS)
Tsatsos, Marios C.; Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.
2010-09-01
A three-dimensional attractive Bose-Einstein condensate is expected to collapse when the number of the particles N in the ground state or the interaction strength ?0 exceeds a critical value. We study systems of different particle numbers and interaction strength and find that even if the overall ground state is collapsed there is a plethora of fragmented excited states that are still in the metastable region. Utilizing the configuration interaction expansion we determine the spectrum of the ground (“yrast”) and excited many-body states with definite total angular-momentum quantum numbers 0?L?N and -L?ML?L, and we find and examine states that survive the collapse. This opens up the possibility of realizing a metastable system with overcritical numbers of bosons in a ground state with angular momentum L?0. The multiorbital mean-field theory predictions about the existence of fragmented metastable states with overcritical numbers of bosons are verified and elucidated at the many-body level. The descriptions of the total angular momentum within the mean-field and the many-body approaches are compared.
Communication: Random phase approximation renormalized many-body perturbation theory
NASA Astrophysics Data System (ADS)
Bates, Jefferson E.; Furche, Filipp
2013-11-01
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.
Stochastic many-body perturbation theory for anharmonic molecular vibrations.
Hermes, Matthew R; Hirata, So
2014-08-28
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
Particle diagrams and statistics of many-body random potentials
NASA Astrophysics Data System (ADS)
Small, Rupert A.; Müller, Sebastian
2015-05-01
We present a method using Feynman-like diagrams to calculate the statistical properties of random many-body potentials. This method provides a promising alternative to existing techniques typically applied to this class of problems, such as the method of supersymmetry and the eigenvector expansion technique pioneered in Benet et al. (2001). We use it here to calculate the fourth, sixth and eighth moments of the average level density for systems with m bosons or fermions that interact through a random k-body Hermitian potential (k ? m); the ensemble of such potentials with a Gaussian weight is known as the embedded Gaussian Unitary Ensemble (eGUE) (Mon and French, 1975). Our results apply in the limit where the number l of available single-particle states is taken to infinity. A key advantage of the method is that it provides an efficient way to identify only those expressions which will stay relevant in this limit. It also provides a general argument for why these terms have to be the same for bosons and fermions. The moments are obtained as sums over ratios of binomial expressions, with a transition from moments associated to a semi-circular level density for m < 2 k to Gaussian moments in the dilute limit k ? m ? l. Regarding the form of this transition, we see that as m is increased, more and more diagrams become relevant, with new contributions starting from each of the points m = 2 k , 3 k , … , nk for the 2 nth moment.
Experimental signatures of semiclassical gravity and the many-body Schrödinger-Newton equation
NASA Astrophysics Data System (ADS)
Helou, Bassam; Miao, Haixing; Yang, Huan; Chen, Yanbei
2015-04-01
In semiclassical gravity, the many-body Schrödinger-Newton (SN) equation, which governs the evolution of a many-particle system under self gravity, predicts that classical and quantum eigenfrequencies of a macroscopic mechanical oscillator are different. For high- Q and low-frequency (~10s of mHz) torsional pendulums made with atoms with small internal motion fluctuations, such as Tungsten or Platinum, this difference can be considerably larger than the classical eigenfrequency of the pendulum. We exploit this split in the design of an optomechanics experiment which, in contrast with experiments that test for quantum gravity, is feasible with current technology and which distinguishes, at low temperatures and within about a year, between the predictions of the SN equation and standard quantum mechanics. Specifically, we propose using light to probe the motion of such oscillators. Moreover, the nonlinearity induced by the SN equation forces us to revisit the wavefunction collapse postulate, resulting in two proposed prescriptions for how the measurement of the light is performed. Each predict a noticeable feature in the spectrum of the outgoing light that is separate from the features of classical force noise.
Experimental signatures of semiclassical gravity and the many-body Schrodinger-Newton equation
NASA Astrophysics Data System (ADS)
Helou, Bassam
2015-04-01
In semiclassical gravity, the many-body Schrodinger-Newton (SN) equation, which governs the evolution of a many-particle system under self gravity, predicts that classical and quantum eigenfrequencies of a macroscopic mechanical oscillator are different. For high- Q and low-frequency (~ 10s of mHz) torsional pendulums made with atoms with small internal motion fluctuations, such as Tungsten or Platinum, this difference can be considerably larger than the classical eigenfrequency of the pendulum. We exploit this split in the design of an optomechanics experiment which, in contrast with experiments that test for quantum gravity, is feasible with current technology and which distinguishes, at low temperatures and within about a year, between the predictions of the SN equation and standard quantum mechanics. Specifically, we propose using light to probe the motion of such oscillators. Moreover, the nonlinearity induced by the SN equation forces us to revisit the wavefunction collapse postulate, resulting in two proposed prescriptions for how the measurement of the light is performed. Each predict a noticeable feature in the spectrum of the outgoing light that is separate from the features of classical force noise.
Energy benchmarks for water clusters and ice structures from an embedded many-body expansion
NASA Astrophysics Data System (ADS)
Gillan, M. J.; Alfè, D.; Bygrave, P. J.; Taylor, C. R.; Manby, F. R.
2013-09-01
We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Møller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mEh/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested.
Energy benchmarks for water clusters and ice structures from an embedded many-body expansion.
Gillan, M J; Alfè, D; Bygrave, P J; Taylor, C R; Manby, F R
2013-09-21
We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Møller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mE(h)/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested. PMID:24070273
On the representation of many-body interactions in water
Medders, Gregory R; Morales, Miguel A; Paesani, Francesco
2015-01-01
Recent work has shown that the many-body expansion of the interaction energy can effectively be used to develop analytical representations of global potential energy surfaces (PESs) for water. In this study, the role of short- and long-range contri- butions at different orders is investigated by analyzing water potentials that treat the leading terms of the many-body expansion through implicit (i.e., TTM3-F and TTM4-F PESs) and explicit (i.e., WHBB and MB-pol PESs) representations. It is found that explicit short-range representations of 2-body and 3-body interactions along with a physically correct integration of short- and long-range contributions are necessary for an accurate representation of the water interactions from the gas to the condensed phase. Similarly, a complete many-body representation of the dipole moment surface is found to be crucial to reproducing the correct intensities of the infrared spectrum of liquid water.
Observing CP Violation in Many-Body Decays
Mike Williams
2011-05-26
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.
Stratified reduction of many-body kinetic energy operators
NASA Astrophysics Data System (ADS)
Iwai, Toshihiro; Yamaoka, Hidetaka
2003-10-01
The center-of-mass system of many bodies admits a natural action of the rotation group SO(3). According to the orbit types for the SO(3) action, the center-of-mass system is stratified into three types of strata. The principal stratum consists of nonsingular configurations for which the isotropy subgroup is trivial, and the other two types of strata consist of singular configurations for which the isotropy subgroup is isomorphic with either SO(2) or SO(3). Depending on whether the isotropy subgroup is isomorphic with SO(2) or SO(3), the stratum in question consists of collinear configurations or of a single configuration of the multiple collision. It is shown that the kinetic energy operator is expressed as the sum of rotational and vibrational energy operators on each stratum except for the stratum of multiple collision. The energy operator for nonsingular configurations has singularity at singular configurations. However, the singularity is not essential in the sense that both of the rotational and vibrational energy integrals have a finite value. This can be proved by using the boundary conditions of wave functions at singular configurations for three-body systems, for simplicity. It is shown, in addition, that the energy operator for collinear configurations has also singularity at the multiple collision, but the singularity is not essential either in the sense that the kinetic energy integral is not divergent at the multiple collision. Reduction procedure is applied to the respective energy operators for the nonsingular and the collinear configurations to obtain respective reduced operators, both of which are expressed in terms of internal coordinates.
The electron many-body problem in graphene
Bruno Uchoa; James P. Reed; Yu Gan; Young Il Joe; Diego Casa; Eduardo Fradkin; Peter Abbamonte
2011-01-01
We give a brief summary of the current status of the electron many-body problem in graphene. We claim that graphene has intrinsic dielectric properties which should dress the interactions among the quasiparticles, and may explain why the observation of electron-electron renormalization effects has been so elusive in the recent experiments. We argue that the strength of Coulomb interactions in graphene
The electron many-body problem in graphene
Bruno Uchoa; James P Reed; Yu Gan; Young II Joe; Eduardo Fradkin; Peter Abbamonte; Diego Casa
2012-01-01
We give a brief summary of the current status of the electron many-body problem in graphene. We claim that graphene has intrinsic dielectric properties which should dress the interactions among the quasiparticles, and may explain why the observation of electron–electron renormalization effects has been so elusive in the recent experiments. We argue that the strength of Coulomb interactions in graphene
Reboredo, Fernando A; Kim, Jeongnim
2014-02-21
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. PMID:24559334
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
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.
Many-Body Effects on Bandgap Shrinkage, Effective Masses, and Alpha Factor
NASA Technical Reports Server (NTRS)
Li, Jian-Zhong; Ning, C. Z.; Woo, Alex C. (Technical Monitor)
2000-01-01
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.
Many-body local fields theory of quasiparticle properties in a three-dimensional electron liquid
George E. Simion; Gabriele F. Giuliani
2008-01-01
We present a quantitative study of the quasiparticle properties of a three-dimensional electron Fermi liquid. Our approach is based on the theory of the many-body local field factors which we use to include vertex corrections associated with charge and spin fluctuations. Extensive use is made of the results of recent quantum Monte Carlo calculations. Several models for the wave-vector dependence
Relativistic many-body perturbation theory for general open-shell multiplet states of atoms
NASA Astrophysics Data System (ADS)
Ishikawa, Yasuyuki; Koc, Konrad
1996-06-01
A relativistic many-body perturbation theory, which accounts for relativistic and electron-correlation effects for general open-shell multiplet states of atoms and molecules, is developed and implemented with analytic basis sets of Gaussian spinors. The theory retains the essential aspects of Mo/ller-Plesset perturbation theory by employing the relativistic single-Fock-operator method of Koc and Ishikawa [Phys. Rev. A 49, 794 (1994)] for general open-shell systems. Open-shell Dirac-Fock and relativistic many-body perturbation calculations are reported for the ground and low-lying excited states of Li, B2+, Ne7+, and Ca11+.
Many-body interactions in quasi-freestanding graphene
Siegel, David; Park, Cheol-Hwan; Hwang, Choongyu; Deslippe, Jack; Fedorov, Alexei; Louie, Steven; Lanzara, Alessandra
2011-06-03
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.
Molecular interactions and properties with many-body methods
Rodney J. Bartlett
1990-01-01
During the course of this research, coupled cluster\\/many-body perturbation theory (CC\\/MBPT) theories have been established as being among the most accurate available, and very efficient and generally applicable computer codes have been developed to perform CC\\/MBPT calculations. These methods have been employed for the first time in large scale ab initio calculations of potential energy surfaces. Two of the papers
Semiconductor laser theory with many-body effects
Hartmut Haug; Stephan W. Koch
1989-01-01
A description of the electron-hole plasma of a semiconductor laser is developed that includes the many-body effects due to the Coulomb interactions. In particular, the plasma density-dependent band-gap renormalization, the broadening due to intraband scattering, and the Coulomb enhancement are included and evaluated for three- and two-dimensional semiconductor structures. Because of the short intraband scattering relaxation time one can eliminate
Combined coupled-cluster and many-body perturbation theories
NASA Astrophysics Data System (ADS)
Hirata, So; Fan, Peng-Dong; Auer, Alexander A.; Nooijen, Marcel; Piecuch, Piotr
2004-12-01
Various approximations combining coupled-cluster (CC) and many-body perturbation theories have been derived and implemented into the parallel execution programs that take into account the spin, spatial (real Abelian), and permutation symmetries and that are applicable to closed- and open-shell molecules. The implemented models range from the CCSD(T), CCSD[T], CCSD(2)T, CCSD(2)TQ, and CCSDT(2)Q methods to the completely renormalized (CR) CCSD(T) and CCSD[T] approaches, where CCSD (CCSDT) stands for the CC method with connected single and double (single, double, and triple) cluster operators, and subscripted or parenthesized 2, T, and Q indicate the perturbation order or the excitation ranks of the cluster operators included in the corrections. The derivation and computer implementation have been automated by the algebraic and symbolic manipulation program TENSOR CONTRACTION ENGINE (TCE). The TCE-synthesized subroutines generate the tensors with the highest excitation rank in a blockwise manner so that they need not be stored in their entirety, while enabling the efficient reuse of other precalculated intermediate tensors defined by prioritizing the memory optimization as well as operation minimization. Consequently, the overall storage requirements for the corrections due to connected triple and quadruple cluster operators scale as O(n4) and O(n6), respectively (n being a measure of the system size). For systems with modest multireference character of their wave functions, we found that the order of accuracy is CCSD
NASA Astrophysics Data System (ADS)
Krishtal, Alisa; Sinha, Debalina; Genova, Alessandro; Pavanello, Michele
2015-05-01
Subsystem density-functional theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.
Krishtal, Alisa; Genova, Alessandro; Pavanello, Michele
2015-01-01
Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible applicability of a resulting method in practical calculations. The other is the possibility of shedding light on some quantum-mechanical phenomenon which is more easily treated by subdividing a supersystem into subsystems. An example of the latter is many-body interactions. In the discussion, we present some recent work from our research group as well as some new results, casting them in the current state-of-the-art in this review as comprehensively as possible.
NASA Astrophysics Data System (ADS)
Schmitz, Rüdiger; Krönke, Sven; Cao, Lushuai; Schmelcher, Peter
2013-10-01
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.
Many-Body Dispersion Effects in the Binding of Adsorbates on Metal Surfaces
Maurer, Reinhard J; Tkatchenko, Alexandre
2015-01-01
A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic--inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Phys. Rev. Lett. 108, 236402 (2012); J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid (PTCDA), and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects we are abl...
Position-electron many-body enhancement effects in copper
NASA Astrophysics Data System (ADS)
Matsumoto, M.; Wakoh, S.
1988-04-01
Two-dimensional angular correlation distributions of positron annihilation radiation (2D ACAR) in copper are calculated taking into account the electron-positron many-body enhancement effects. They are compared with the experimental results of Berko et al. Two kinds of enhancement, namely a state-dependent enhancement and a character-dependent one, are considered. In each scheme two different enhancement factors are used for s,p-electrons and d-electrons. Although the agreements between the two enhanced theories and experiment are very good, the character-dependent enhancement scheme seems to be better than the state-dependent one.
Many-body contact repulsion of deformable disks.
Šiber, A; Ziherl, P
2013-05-24
We use a spring-and-plaquette network model to analyze the repulsion between elastic disks in contact. By studying various 2D geometries, we find that as disks approach the incompressibility limit the many-body effects become dominant and the disk-disk interaction is not pairwise additive. Upon compression, the disks undergo a transition from the localized to the distributed deformation regime accompanied by a steep increase of energy consistent with the onset of a hard core. These results shed new light on the structures formed by deformable objects such as soft nanocolloids. PMID:23745880
Three-body decay of many-body resonances
Jensen, A.S.; Fedorov, D.V.; Fynbo, H.O.U. [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Garrido, E. [Instituto de Estructura de la Materia, CSIC, Serrano 123, E-28006 Madrid (Spain)
2005-10-14
We use the hyperspherical coordinates to describe decay of many-body resonances. Direct and sequential decay are described by different paths in the distances between the particles. We generalize the WKB expression for the {alpha}-decay width to decay of three charged particles. Decay mechanisms and resonance structures are computed in coordinate space. The energy distributions of the particles after decay are discussed. Moderate s-wave scattering lengths prefer decay via corresponding virtual state possibly leaving unique fingerprints of this reminiscence of the Efimov effect in the decay of excited states. Numerical illustrations are resonances in 6He, 12C, 17Ne.
First-principles energetics of water clusters and ice: a many-body analysis.
Gillan, M J; Alfè, D; Bartók, A P; Csányi, G
2013-12-28
Standard forms of density-functional theory (DFT) have good predictive power for many materials, but are not yet fully satisfactory for cluster, solid, and liquid forms of water. Recent work has stressed the importance of DFT errors in describing dispersion, but we note that errors in other parts of the energy may also contribute. We obtain information about the nature of DFT errors by using a many-body separation of the total energy into its 1-body, 2-body, and beyond-2-body components to analyze the deficiencies of the popular PBE and BLYP approximations for the energetics of water clusters and ice structures. The errors of these approximations are computed by using accurate benchmark energies from the coupled-cluster technique of molecular quantum chemistry and from quantum Monte Carlo calculations. The systems studied are isomers of the water hexamer cluster, the crystal structures Ih, II, XV, and VIII of ice, and two clusters extracted from ice VIII. For the binding energies of these systems, we use the machine-learning technique of Gaussian Approximation Potentials to correct successively for 1-body and 2-body errors of the DFT approximations. We find that even after correction for these errors, substantial beyond-2-body errors remain. The characteristics of the 2-body and beyond-2-body errors of PBE are completely different from those of BLYP, but the errors of both approximations disfavor the close approach of non-hydrogen-bonded monomers. We note the possible relevance of our findings to the understanding of liquid water. PMID:24387379
First-principles energetics of water clusters and ice: A many-body analysis
NASA Astrophysics Data System (ADS)
Gillan, M. J.; Alfè, D.; Bartók, A. P.; Csányi, G.
2013-12-01
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.
Quantum-information processing in disordered and complex quantum systems
Sen, Aditi; Sen, Ujjwal [ICFO-Institut de Ciencies Fotoniques, Parc Mediterrani de la Tecnologia, E-08860 Castelldefels (Barcelona) (Spain); Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover (Germany); Ahufinger, Veronica [ICREA and Grup d'Optica, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Briegel, Hans J. [Institut fuer Quantenoptik und Quanteninformation, Oesterreichische Akademie der Wissenschaften, A-6020 Innsbruck (Austria); Institut fuer Theoretische Physik, Universitaet Innsbruck, Technikerstrasse 25, A-6020 Innsbruck (Austria); Sanpera, Anna [Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover (Germany); ICREA and Grup de Fisica Teorica, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain); Lewenstein, Maciej [Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover (Germany); ICREA and ICFO-Institut de Ciencies Fotoniques, Parc Mediterrani de la Tecnologia, E-08860 Castelldefels (Barcelona) (Spain)
2006-12-15
We study quantum information processing in complex disordered many body systems that can be implemented by using lattices of ultracold atomic gases and trapped ions. We demonstrate, first in the short range case, the generation of entanglement and the local realization of quantum gates in a disordered magnetic model describing a quantum spin glass. We show that in this case it is possible to achieve fidelities of quantum gates higher than in the classical case. Complex systems with long range interactions, such as ions chains or dipolar atomic gases, can be used to model neural network Hamiltonians. For such systems, where both long range interactions and disorder appear, it is possible to generate long range bipartite entanglement. We provide an efficient analytical method to calculate the time evolution of a given initial state, which in turn allows us to calculate its quantum correlations.
Many-body effects in topological Kondo insulators
NASA Astrophysics Data System (ADS)
Iaconis, Jason; Balents, Leon
2015-06-01
We study the effect of interactions on the properties of a model 2D topological Kondo insulator phase. Loosely motivated by recent proposals where graphene is hybridized with impurity bands from heavy adatoms with partially filled d shells, we introduce a model Hamiltonian which we believe captures the essential physics of the different competing phases. We show that there are generically three possible phases with different combinations of Kondo screening and magnetic order. Perhaps the most dramatic example of many-body physics in symmetry-protected topological phases is the existence of the exotic edge states. We demonstrate that our mean-field model contains a region with a time-reversal-invariant bulk phase but where time-reversal symmetry is spontaneously broken at the edge. Such a phase would not be possible in a noninteracting model. We also comment on the stability of this phase beyond mean-field theory.
Charge-optimized many-body (COMB) potential for zirconium
NASA Astrophysics Data System (ADS)
Noordhoek, Mark J.; Liang, Tao; Lu, Zizhe; Shan, Tzu-Ray; Sinnott, Susan B.; Phillpot, Simon R.
2013-10-01
An interatomic potential for zirconium is developed within the charge-optimized many-body (COMB) formalism. The potential correctly predicts the hexagonal close-packed (HCP) structure as the ground state with cohesive energy, lattice parameters, and elastic constants matching experiment well. The most stable interstitial position is the basal octahedral followed by basal split, in agreement with recent first principles calculations. Stacking fault energies within the prism and basal planes satisfactorily match first principles calculations. A tensile test using nanocrystalline zirconium exhibits both prismatic {1 0 1bar 0}<1 1 2bar 0> slip and pyramidal {1 1 2bar 2}<1 1 2bar 3bar> slip, showing the model is capable of reproducing the mechanical deformation modes observed in experiments.
Many-body tight-binding model for aluminum nanoparticles
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
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.
Many-body hydrodynamic interactions in charge-stabilized suspensions.
Banchio, Adolfo J; Gapinski, Jacek; Patkowski, Adam; Häussler, Wolfgang; Fluerasu, Andrei; Sacanna, Stefano; Holmqvist, Peter; Meier, Gerhard; Lettinga, M Paul; Nägele, Gerhard
2006-04-01
In this joint experimental-theoretical work we study hydrodynamic interaction effects in dense suspensions of charged colloidal spheres. Using x-ray photon correlation spectroscopy we have determined the hydrodynamic function H(q), for a varying range of electrosteric repulsion. We show that H(q) can be quantitatively described by means of a novel Stokesian dynamics simulation method for charged Brownian spheres, and by a modification of a many-body theory developed originally by Beenakker and Mazur. Very importantly, we can explain the behavior of H(q) for strongly correlated particles without resorting to the controversial concept of hydrodynamic screening, as was attempted in earlier work by Riese [Phys. Rev. Lett. 85, 5460 (2000)]. PMID:16712043
Parallel implementation of many-body mean-field equations
Chinn, C.R.; Umar, A.S.; Vallieres, M.; Strayer, M.R. (Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States) Center for Computationally Intensive Physics, Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6373 (United States) Department of Physics and Atmospheric Sciences, Drexel University, Philadelphia, Pennsylvania 19104 (United States))
1994-12-01
We describe the numerical methods used to solve the system of stiff, nonlinear partial differential equations resulting from the Hartree-Fock description of many-particle quantum systems, as applied to the structure of the nucleus. The solutions are performed on a three-dimensional Cartesian lattice. Discretization is achieved through the lattice basis-spline collocation method, in which quantum-state vectors and coordinate-space operators are expressed in terms of basis-spline functions on a spatial lattice. All numerical procedures reduce to a series of matrix-vector multiplications and other elementary operations, which we perform on a number of different computing architectures, including the Intel Paragon and the Intel iPSC/860 hypercube. Parallelization is achieved through a combination of mechanisms employing the Gram-Schmidt procedure, broadcasts, global operations, and domain decomposition of state vectors. We discuss the approach to the problems of limited node memory and node-to-node communication overhead inherent in using distributed-memory, multiple-instruction, multiple-data stream parallel computers. An algorithm was developed to reduce the communication overhead by pipelining some of the message passing procedures.
Evolution of regulatory complexes: a many-body system
NASA Astrophysics Data System (ADS)
Nouemohammad, Armita; Laessig, Michael
2013-03-01
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. 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. Carl-Icahn Laboratory, Washington Road, Princeton 08544 NJ
Many-body localization edge in the random-field Heisenberg chain
NASA Astrophysics Data System (ADS)
Luitz, David J.; Laflorencie, Nicolas; Alet, Fabien
2015-02-01
We present a large-scale exact diagonalization study of the one-dimensional spin-1 /2 Heisenberg model in a random magnetic field. In order to access properties at varying energy densities across the entire spectrum for system sizes up to L =22 spins, we use a spectral transformation which can be applied in a massively parallel fashion. Our results allow for an energy-resolved interpretation of the many-body localization transition including the existence of an extensive many-body mobility edge. The ergodic phase is well characterized by Gaussian orthogonal ensemble statistics, volume-law entanglement, and a full delocalization in the Hilbert space. Conversely, the localized regime displays Poisson statistics, area-law entanglement, and nonergodicity in the Hilbert space where a true localization never occurs. We perform finite-size scaling to extract the critical edge and exponent of the localization length divergence.
Recent development of complex scaling method for many-body resonances and continua in light nuclei
Takayuki Myo; Yuma Kikuchi; Hiroshi Masui; Kiyoshi Kato
2014-10-16
The complex scaling method (CSM) is a useful similarity transformation of the Schr\\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because the asymptotic wave functions of the separated resonant states are regularized by the CSM, many-body resonances can be obtained by solving an eigenvalue problem with the $L^2$ basis functions. Applying this method to a system consisting of a core and valence nucleons, we investigate many-body resonant states in weakly bound nuclei very far from the stability lines. Non-resonant continuum states are also obtained with the discretized eigenvalues on the rotated branch cuts. Using these complex eigenvalues and eigenstates in CSM, we construct the extended completeness relations and Green's functions to calculate strength functions and breakup cross sections. Various kinds of theoretical calculations and comparisons with experimental data are presented.
Flow equation approach to one-body and many-body localization
NASA Astrophysics Data System (ADS)
Quito, Victor; Bhattacharjee, Paraj; Pekker, David; Refael, Gil
2014-03-01
We study one-body and many-body localization using the flow equation technique applied to spin-1/2 Hamiltonians. This technique, first introduced by Wegner, allows us to exact diagonalize interacting systems by solving a set of first-order differential equations for coupling constants. Besides, by the flow of individual operators we also compute physical properties, such as correlation and localization lengths, by looking at the flow of probability distributions of couplings in the Hilbert space. As a first example, we analyze the one-body localization problem written in terms of spins, the disordered XY model with a random transverse field. We compare the results obtained in the flow equation approach with the diagonalization in the fermionic language. For the many-body problem, we investigate the physical properties of the disordered XXZ Hamiltonian with a random transverse field in the z-direction.
Encoding the structure of many-body localization with matrix product operators
NASA Astrophysics Data System (ADS)
Pekker, David; Clark, Bryan K.
2015-03-01
Anderson insulators are non-interacting disordered systems which have localized single particle eigenstates. The interacting analogue of Anderson insulators are the Many-Body Localized (MBL) phases. The natural language for representing the spectrum of the Anderson insulator is that of product states over the single-particle modes. We show that product states over Matrix Product Operators of small bond dimension is the corresponding natural language for describing the MBL phases. In this language all of the many-body eigenstates are encode by Matrix Product States (i.e. DMRG wave function) consisting of only two sets of low bond-dimension matrices per site: the Gi matrix corresponding to the local ground state on site i and the Ei matrix corresponding to the local excited state. All 2 n eigenstates can be generated from all possible combinations of these matrices.
Many-body forces, isospin asymmetry and dense hyperonic matter
R. O. Gomes; V. Dexheimer; S. Schramm; C. A. Z. Vascconcellos
2015-04-10
The equation of state (EoS) of asymmetric nuclear matter at high densities is a key topic for the description of matter inside neutron stars. The determination of the properties of asymmetric nuclear matter, such as the symmetry energy ($a_{sym}$) and the slope of the symmetry energy ($L_0$) at saturation density, has been exaustively studied in order to better constrain the nuclear matter EoS. However, differently from symmetric matter properties that are reasonably constrained, the symmetry energy and its slope still large uncertainties in their experimental values. Regarding this subject, some studies point towards small values of the slope of the symmetry energy, while others suggest rather higher values. Such a lack of agreement raised a certain debate in the scientific community. In this paper, we aim to analyse the role of these properties on the behavior of asymmetric hyperonic matter. Using the formalism presented in Ref. (R.O. Gomes et al 2014}, which considers many-body forces contributions in the meson-baryon coupling, we calculate the EoS of asymmetric hyperonic matter and apply it to describe hyperonic matter and hyperon stars.
The electron many-body problem in graphene
NASA Astrophysics Data System (ADS)
Uchoa, Bruno; Reed, James P.; Gan, Yu; Joe, Young, II; Fradkin, Eduardo; Abbamonte, Peter; Casa, Diego
2012-01-01
We give a brief summary of the current status of the electron many-body problem in graphene. We claim that graphene has intrinsic dielectric properties which should dress the interactions among the quasiparticles, and may explain why the observation of electron-electron renormalization effects has been so elusive in the recent experiments. We argue that the strength of Coulomb interactions in graphene may be characterized by an effective fine structure constant given by ?star(k, ?)?2.2/epsilon(k, ?), where epsilon(k, ?) is the dynamical dielectric function. At long wavelengths, ?star(k, ?) appears to have its smallest value in the static regime, where ?star(k?0, 0)?1/7 according to recent inelastic x-ray measurements, and the largest value in the optical limit, where ?star(0, ?)?2.6. We conclude that the strength of Coulomb interactions in graphene is not universal, but is highly dependent on the scale of the phenomenon of interest. We propose a prescription in order to reconcile different experiments.
Hadrons in a Relativistic Many-Body Approach
NASA Astrophysics Data System (ADS)
Cotanch, Stephen R.; Llanes-Estrada, Felipe J.
2001-11-01
Results from a relativistic, field theoretical QCD analysis are reported for the low lying meson, glueball and hybrid spectra. Alternative many-body techniques are utilized to approximately diagonalize an effective QCD Hamiltonian containing a linear confining interaction with slope (string tension) determined from lattice gauge calculations. The ground state vacuum properties (condensates and dressed/constituent masses) are calculated using the BCS approach with spontaneous dynamical chiral symmetry breaking and a non-linear (similar to the Dyson-Schwinger) gap equation. The excited meson states are then predicted using the Tamm-Dancoff (TDA) and random phase (RPA) approximations (analogous to the Bethe-Salpeter equation). With only one predetermined interaction parameter, the string tension, and standard u, d, s and c current quark masses, the low mass meson states in the different spin and flavor channels are reproduced. Significantly, new insight is obtained concerning the condensate structure of the vacuum, meson decay constants, spin/orbital and flavor mass splitting contributions and the chiral symmetry governance of the pion. Substantial TDA-RPA differences are found in the light quark sector with the pion emerging as a Goldstone boson only in the RPA. This comprehensive approach also encompasses the gluon sector and, with the same string tension parameter, reproduces the gluon condensate value from QCD sum rules and, most importantly, the quenched lattice glueball spectrum. Finally, the exotic 1-+ hybrid meson mass is calculated to be above 2 GeV and in rough agreement with lattice and flux tube model results. This suggests the recently observed 1-+ exotic states have an alternative, perhaps four quark, structure.
Relativistic Many-Body Hamiltonian Approach to Mesons
Felipe J. Llanes-Estrada; Stephen R. Cotanch
2001-01-09
We represent QCD at the hadronic scale by means of an effective Hamiltonian, $H$, formulated in the Coulomb gauge. As in the Nambu-Jona-Lasinio model, chiral symmetry is explicity broken, however our approach is renormalizable and also includes confinement through a linear potential with slope specified by lattice gauge theory. This interaction generates an infrared integrable singularity and we detail the computationally intensive procedure necessary for numerical solution. We focus upon applications for the $u, d, s$ and $c$ quark flavors and compute the mass spectrum for the pseudoscalar, scalar and vector mesons. We also perform a comparative study of alternative many-body techniques for approximately diagonalizing $H$: BCS for the vacuum ground state; TDA and RPA for the excited hadron states. The Dirac structure of the field theoretical Hamiltonian naturally generates spin-dependent interactions, including tensor, spin-orbit and hyperfine, and we clarify the degree of level splitting due to both spin and chiral symmetry effects. Significantly, we find that roughly two-thirds of the $\\pi$-$\\rho$ mass difference is due to chiral symmetry and that only the RPA preserves chiral symmetry. We also document how hadronic mass scales are generated by chiral symmetry breaking in the model vacuum. In addition to the vacuum condensates, we compute meson decay constants and detail the Nambu-Goldstone realization of chiral symmetry by numerically verifying the Gell-Mann-Oaks-Renner relation. Finally, by including D waves in our charmonium calculation we have resolved the anomalous overpopulation of $J/\\Psi$ states relative to observation.
Sirshendu Bhattacharyya; Arnab Das; Subinay Dasgupta
2012-08-10
We study the real-time dynamics of a quantum Ising chain driven periodically by instantaneous quenches of the transverse field (the transverse field varying as rectangular wave symmetric about zero). Two interesting phenomena are reported and analyzed: (1) We observe dynamical many-body freezing or DMF (Phys. Rev. B, vol. 82, 172402, 2010), i.e. strongly non-monotonic freezing of the response (transverse magnetization) with respect to the driving parameters (pulse width and height) resulting from equivocal freezing behavior of all the many-body modes. The freezing occurs due to coherent suppression of dynamics of the many-body modes. For certain combination of the pulse height and period, maximal freezing (freezing peaks) are observed. For those parameter values, a massive collapse of the entire Floquet spectrum occurs. (2) Secondly, we observe emergence of a distinct solitary oscillation with a single frequency, which can be much lower than the driving frequency. This slow oscillation, involving many high-energy modes, dominates the response remarkably in the limit of long observation time. We identify this slow oscillation as the unique survivor of destructive quantum interference between the many-body modes. The oscillation is found to decay algebraically with time to a constant value. All the key features are demonstrated analytically with numerical evaluations for specific results.
Many-body effects and matrix inversion in low-Reynolds-number hydrodynamics
Ichiki, Kengo
Many-body effects and matrix inversion in low-Reynolds-number hydrodynamics Kengo Ichikia) Graduate-range, many-body hydrodynamic interac- tions.3 Durlofsky et al.3 showed for a pair of particles interactions among particles2 and thus is a way to take into account many-body interac- tions. While
Neutral and charged excitations in carbon fullerenes from first-principles many-body theories
NASA Astrophysics Data System (ADS)
Tiago, Murilo L.; Kent, P. R. C.; Hood, Randolph Q.; Reboredo, Fernando A.
2008-08-01
We investigate the accuracy of first-principles many-body theories at the nanoscale by comparing the low-energy excitations of the carbon fullerenes C20, C24, C50, C60, C70, and C80 with experiment. Properties are calculated via the GW-Bethe-Salpeter equation and diffusion quantum Monte Carlo methods. We critically compare these theories and assess their accuracy against available photoabsorption and photoelectron spectroscopy data. The first ionization potentials are consistently well reproduced and are similar for all the fullerenes and methods studied. The electron affinities and first triplet excitation energies show substantial method and geometry dependence. These results establish the validity of many-body theories as viable alternative to density-functional theory in describing electronic properties of confined carbon nanostructures. We find a correlation between energy gap and stability of fullerenes. We also find that the electron affinity of fullerenes is very high and size independent, which explains their tendency to form compounds with electron-donor cations.
Holographic Duality with a View Toward Many-Body Physics
McGreevy, John
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 ...
Symmetry-protected many-body Aharonov-Bohm effect
Santos, Luiz H.
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 ...
Quantum Simulation for Open-System Dynamics
NASA Astrophysics Data System (ADS)
Wang, Dong-Sheng; de Oliveira, Marcos Cesar; Berry, Dominic; Sanders, Barry
2013-03-01
Simulations are essential for predicting and explaining properties of physical and mathematical systems yet so far have been restricted to classical and closed quantum systems. Although forays have been made into open-system quantum simulation, the strict algorithmic aspect has not been explored yet is necessary to account fully for resource consumption to deliver bounded-error answers to computational questions. An open-system quantum simulator would encompass classical and closed-system simulation and also solve outstanding problems concerning, e.g. dynamical phase transitions in non-equilibrium systems, establishing long-range order via dissipation, verifying the simulatability of open-system dynamics on a quantum Turing machine. We construct an efficient autonomous algorithm for designing an efficient quantum circuit to simulate many-body open-system dynamics described by a local Hamiltonian plus decoherence due to separate baths for each particle. The execution time and number of gates for the quantum simulator both scale polynomially with the system size. Simulations are essential for predicting and explaining properties of physical and mathematical systems yet so far have been restricted to classical and closed quantum systems. Although forays have been made into open-system quantum simulation, the strict algorithmic aspect has not been explored yet is necessary to account fully for resource consumption to deliver bounded-error answers to computational questions. An open-system quantum simulator would encompass classical and closed-system simulation and also solve outstanding problems concerning, e.g. dynamical phase transitions in non-equilibrium systems, establishing long-range order via dissipation, verifying the simulatability of open-system dynamics on a quantum Turing machine. We construct an efficient autonomous algorithm for designing an efficient quantum circuit to simulate many-body open-system dynamics described by a local Hamiltonian plus decoherence due to separate baths for each particle. The execution time and number of gates for the quantum simulator both scale polynomially with the system size. DSW funded by USARO. MCO funded by AITF and Brazilian agencies CNPq and FAPESP through Instituto Nacional de Ciencia e Tecnologia-Informacao Quantica (INCT-IQ). DWB funded by ARC Future Fellowship (FT100100761). BCS funded by AITF, CIFAR, NSERC and USARO.
Photon-induced sideband transitions in a many-body Landau-Zener process
NASA Astrophysics Data System (ADS)
Zhong, Honghua; Xie, Qiongtao; Huang, Jiahao; Qin, Xizhou; Deng, Haiming; Xu, Jun; Lee, Chaohong
2014-08-01
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.
TRIQS: A Toolbox for Research on Interacting Quantum Systems
Parcollet, Olivier; Ayral, Thomas; Hafermann, Hartmut; Krivenko, Igor; Messio, Laura; Seth, Priyanka
2015-01-01
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes in a modern, concise and efficient way: e.g. Green's function containers, a generic Monte Carlo class, and simple interfaces to HDF5. TRIQS is a C++/Python library that can be used from either language. It is distributed under the GNU General Public License (GPLv3). State-of-the-art applications based on the library, such as modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean-field theory (DMFT) codes are distributed along with it.
Anomalous diffusion and griffiths effects near the many-body localization transition.
Agarwal, Kartiek; Gopalakrishnan, Sarang; Knap, Michael; Müller, Markus; Demler, Eugene
2015-04-24
We explore the high-temperature dynamics of the disordered, one-dimensional XXZ model near the many-body localization (MBL) transition, focusing on the delocalized (i.e., "metallic") phase. In the vicinity of the transition, we find that this phase has the following properties: (i) local magnetization fluctuations relax subdiffusively; (ii) the ac conductivity vanishes near zero frequency as a power law; and (iii) the distribution of resistivities becomes increasingly broad at low frequencies, approaching a power law in the zero-frequency limit. We argue that these effects can be understood in a unified way if the metallic phase near the MBL transition is a quantum Griffiths phase. We establish scaling relations between the associated exponents, assuming a scaling form of the spin-diffusion propagator. A phenomenological classical resistor-capacitor model captures all the essential features. PMID:25955037
Stochastic evaluation of second-order many-body perturbation energies.
Willow, Soohaeng Yoo; Kim, Kwang S; Hirata, So
2012-11-28
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 mE(h) of the correct values after 10(8) 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. PMID:23205996
Many-body interactions and correlations in coarse-grained descriptions of polymer solutions
P. G. Bolhuis; A. A. Louis; J. P. Hansen
2001-03-09
We calculate the two, three, four, and five-body (state independent) effective potentials between the centers of mass (CM) of self avoiding walk polymers by Monte-Carlo simulations. For full overlap, these coarse-grained n-body interactions oscillate in sign as (-1)^n, and decrease in absolute magnitude with increasing n. We find semi-quantitative agreement with a scaling theory, and use this to discuss how the coarse-grained free energy converges when expanded to arbitrary order in the many-body potentials. We also derive effective {\\em density dependent} 2-body potentials which exactly reproduce the pair-correlations between the CM of the self avoiding walk polymers. The density dependence of these pair potentials can be largely understood from the effects of the {\\em density independent} 3-body potential. Triplet correlations between the CM of the polymers are surprisingly well, but not exactly, described by our coarse-grained effective pair potential picture. In fact, we demonstrate that a pair-potential cannot simultaneously reproduce the two and three body correlations in a system with many-body interactions. However, the deviations that do occur in our system are very small, and can be explained by the direct influence of 3-body potentials.
Dynamical symmetry approach to path integrals of quantum spin systems
NASA Astrophysics Data System (ADS)
Ringel, Matouš; Gritsev, Vladimir
2013-12-01
We develop a dynamical symmetry approach to path integrals for general interacting quantum spin systems. The time-ordered exponential obtained after the Hubbard-Stratonovich transformation can be disentangled into the product of a finite number of the usual exponentials. This procedure leads to a set of stochastic differential equations on the group manifold, which can be further formulated in terms of the supersymmetric effective action. This action has the form of the Witten topological field theory in the continuum limit. As a consequence, we show how it can be used to obtain the exact results for a specific quantum many-body system which can be otherwise solved only by the Bethe ansatz. This represents an example of a many-body system treated exactly using the path-integral formulation. Moreover, our method can deal with time-dependent parameters, which we demonstrate explicitly.
Alleviation of the Fermion-sign problem by optimization of many-body wave functions C. J. Umrigar,1
Boyer, Edmond
Alleviation of the Fermion-sign problem by optimization of many-body wave functions C. J. Umrigar,1 eigenstates. For Fermionic systems, the antisymmetry constraint leads to the Fermion-sign problem that forces efficiency. Form of wave functions. We employ N-electron wave functions which depend on Nopt variational
Electro-optic and Many-body Effects on Optical Absorption of Twisted Bilayer Graphene
NASA Astrophysics Data System (ADS)
Lee, Kan-Heng; Huang, Lujie; Kim, Cheol-Joo; Park, Jiwoong
2015-03-01
In twisted bilayer graphene (tBLG), the interlayer rotation angle between the two graphene layers induces additional angle-dependent van Hove singularities (vHSs) in its band structure where the two Dirac cones from each layer intersect. These vHSs introduce extra angle-dependent absorption peaks in the optical absorption spectra of tBLG. Here, we experimentally investigate the effects of the overall doping and the interlayer potential on these interlayer absorption features at various angles. We independently tune the doping concentration of each layer with a newly-developed, optically transparent, dual-gate transistor geometry to perform simultaneous optical and electrical measurements. Our data show strong electro-optic phenomena in the optical absorption of tBLG: the peak energy and width of the interlayer resonance feature sensitively depends on the overall doping and interlayer potential. We explain our observation using a simple band picture as well as many-body effects. Our study provides a powerful experimental platform for studying more complicated structures such as rotated tri- and multi-layer graphene systems in the future. Moreover, the understanding of electro-optic and many-body effects in these materials opens up a way for novel electrochromic devices.
An Effective Theory for Nuclear Matter with Genuine Many-Body Forces
NASA Astrophysics Data System (ADS)
Vasconcellos, César A. Z.; Horvath, Jorge; Hadjimichef, Dimiter; Gomes, Rosana O.
Nuclear science has developed many excellent descriptions that embody various properties of the nucleus, and nuclear matter at low, medium and high densities. However, a full microscopic understanding of nuclear systems is still lacking. The aim of our theoretical research group is to shed some light on such challenges and particularly on open questions facing the high density nuclear many-body problem. Here we focus our attention on the conceptual issue of naturalness and its role in shaping the baryon-meson phase space dynamics in the description of the equation of state (EoS) of nuclear matter. In particular, in order to stimulate possible new directions of research, we discuss relevant aspects of a recently developed relativistic effective theory for nuclear matter with natural parametric couplings and genuine many-body forces. Among other topics we discuss in this work the connection of this theory with other known effective QHD models of the literature and its potentiality in describing a new physics for dense matter.
Accurate and Efficient Method for Many-Body van der Waals Interactions
NASA Astrophysics Data System (ADS)
Tkatchenko, Alexandre; DiStasio, Robert A., Jr.; Car, Roberto; Scheffler, Matthias
2012-06-01
An efficient method is developed for the microscopic description of the frequency-dependent polarizability of finite-gap molecules and solids. This is achieved by combining the Tkatchenko-Scheffler van der Waals (vdW) method [Phys. Rev. Lett. 102, 073005 (2009)PRLTAO0031-900710.1103/PhysRevLett.102.073005] with the self-consistent screening equation of classical electrodynamics. This leads to a seamless description of polarization and depolarization for the polarizability tensor of molecules and solids. The screened long-range many-body vdW energy is obtained from the solution of the Schrödinger equation for a system of coupled oscillators. We show that the screening and the many-body vdW energy play a significant role even for rather small molecules, becoming crucial for an accurate treatment of conformational energies for biomolecules and binding of molecular crystals. The computational cost of the developed theory is negligible compared to the underlying electronic structure calculation.
An Open-System Quantum Simulator with Trapped Ions
Julio T. Barreiro; Markus Müller; Philipp Schindler; Daniel Nigg; Thomas Monz; Michael Chwalla; Markus Hennrich; Christian F. Roos; Peter Zoller; Rainer Blatt
2011-04-06
The control of quantum systems is of fundamental scientific interest and promises powerful applications and technologies. Impressive progress has been achieved in isolating the systems from the environment and coherently controlling their dynamics, as demonstrated by the creation and manipulation of entanglement in various physical systems. However, for open quantum systems, engineering the dynamics of many particles by a controlled coupling to an environment remains largely unexplored. Here we report the first realization of a toolbox for simulating an open quantum system with up to five qubits. Using a quantum computing architecture with trapped ions, we combine multi-qubit gates with optical pumping to implement coherent operations and dissipative processes. We illustrate this engineering by the dissipative preparation of entangled states, the simulation of coherent many-body spin interactions and the quantum non-demolition measurement of multi-qubit observables. By adding controlled dissipation to coherent operations, this work offers novel prospects for open-system quantum simulation and computation.
Optimal control for unitary preparation of many-body states: application to Luttinger liquids
Armin Rahmani; Claudio Chamon
2011-05-27
Many-body ground states can be prepared via unitary evolution in cold atomic systems. Given the initial state and a fixed time for the evolution, how close can we get to a desired ground state if we can tune the Hamiltonian in time? Here we study this optimal control problem focusing on Luttinger liquids with tunable interactions. We show that the optimal protocol can be obtained by simulated annealing. We find that the optimal interaction strength of the Luttinger liquid can have a nonmonotonic time dependence. Moreover, the system exhibits a marked transition when the ratio $\\tau/L$ of the preparation time to the system size exceeds a critical value. In this regime, the optimal protocols can prepare the states with almost perfect accuracy. The optimal protocols are robust against dynamical noise.
Asymptotic solutions in the many-body problem
P. G. D. Barkham; V. J. Modi; A. C. Soudack
1977-01-01
A small particle moves in the vicinity of two masses, forming a close binary, in orbit about a distant mass. Unique, uniformly valid solutions of this four-body problem are found for motion near both equilateral triangle points of the binary system in terms of a small parameter e, where the primaries move in accordance with a uniformly-valid three-body solution. Accuracy
Many Body Approach for Quartet Condensation in Strong Coupling
Takaaki Sogo; Gerd Röpke; Peter Schuck
2010-04-02
The theory for condensation of higher fermionic clusters is developed. Fully selfconsistent nonlinear equations for the quartet order parameter in strongly coupled fermionic systems are established and solved. The breakdown of the quasiparticle picture is pointed out. Derivation of numerically tractable approximation is described. The momentum projected factorisation ansatz of Ref. \\cite{slr09} for the order parameter is employed again. As a definite example the condensation of $\\alpha$ particles in nuclear matter is worked out.
Abhishek Mukherjee; Marco Cristoforetti
2014-03-22
Recently, a new method, based on stochastic integration on the surfaces of steepest descent of the action, was introduced to tackle the sign problem in quantum field theories. We show how this method can be used in many body theories to perform fully non-perturbative calculations of quantum corrections about mean field solutions. We discuss an explicit algorithm for implementing our method, and present results for the repulsive Hubbard model away from half-filling at intermediate temperatures. Our results are consistent with those from the recent state of the art cluster dynamical mean field theory calculations.
Symmetric Tensor Decomposition Description of Fermionic Many-Body Wavefunctions
Uemura, Wataru
2012-01-01
The configuration interaction (CI) is a versatile wavefunction theory for interacting fermions but it involves an extremely long CI series. Using a symmetric tensor decomposition (STD) method, we convert the CI series into a compact and numerically tractable form. The converted series encompasses the Hartree-Fock state in the first term and rapidly converges to the full-CI state, as numerically tested using small molecules. Provided that the length of the STD-CI series grows only moderately with the increasing complexity of the system, the new method will serve as one of the alternative variational methods to achieve full-CI with enhanced practicability.
The relativistic many body problem with an oscillator interaction
NASA Technical Reports Server (NTRS)
Moshinsky, Marcos
1995-01-01
We start with the total energy E for a system of three scalar relativistic particles that, because of Einstein's relation, will have square roots of functions of the momenta. By taking powers of this relation, we finally get a fourth degree polynomial in E(exp 2), where the square roots have disappeared, and which we can convert into a type of Schroedinger equation. To be in the center of mass frame we pass to Jocobi momenta and then replace them by creation and annihilation operators. We thus get an equation in terms of the generators of a U(2) group, which, in principle, we can solve in an elementary way. Finally, we rewrite our equation in a Poincare invariant form.
Many-body Green's function study of coumarins for dye-sensitized solar cells
Faber, C; Deutsch, T; Blase, X
2012-01-01
We study within the many-body Green's function $GW$ and Bethe-Salpeter formalisms the excitation energies of several coumarin dyes proposed as an efficient alternative to ruthenium complexes for dye-sensitized solar cells. Due to their internal donor-acceptor structure, these chromophores present low-lying excitations showing a strong intramolecular charge-transfer character. We show that combining $GW$ and Bethe-Salpeter calculations leads to charge-transfer excitation energies and oscillator strengths in excellent agreement with reference range-separated functional studies or coupled-cluster calculations. The present results confirm the ability of this family of approaches to describe accurately Frenkel and charge-transfer photo-excitations in both extended and finite size systems without any system-dependent adjustable parameter, paving the way to the study of dye-sensitized semiconducting surfaces.
Rapid mixing and stability of quantum dissipative systems
Angelo Lucia; Toby S. Cubitt; Spyridon Michalakis; David Pérez-García
2015-04-28
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 properly model 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.
Dielectric Response of Periodic Systems from Quantum Monte Carlo
Paolo Umari; Andrew J. Willamson; Nicola Marzari
2005-01-01
We introduce a novel approach to study the response of periodic systems to finite homogeneous electric fields using the diffusion Quantum Monte Carlo method. The interaction with the electric field is expressed through a generalized many-body electric-enthalpy functional; a Hermitian local potential is then constructed that determines the evolution towards the ground state. This local potential depends self-consistently on the
Many-Body Effects in Valence and Core Photoionization of Molecules
L S Cederbaum; W Domcke; J Schirmer; W von Niessen
1980-01-01
The spectral function of ionization is discussed for the whole energy range. It is found that different energy regions are likely to exhibit different types of many-body effects. For the ionization out of an outer valence orbital most of the intensity appears in one main line. The many-body effects explain the additional satellite lines and, in addition, can lead to
Automatic code generation for many-body electronic structure methods: the tensor contraction engine
NASA Astrophysics Data System (ADS)
Auer, Alexander A.; Baumgartner, Gerald; Bernholdt, David E.; Bibireata, Alina; Choppella, Venkatesh; Cociorva, Daniel; Gao, Xiaoyang; Harrison, Robert; Krishnamoorthy, Sriram; Krishnan, Sandhya; Lam, Chi-Chung; Lu, Qingda; Nooijen, Marcel; Pitzer, Russell; Ramanujam, J.; Sadayappan, P.; Sibiryakov, Alexander
As both electronic structure methods and the computers on which they are run become increasingly complex, the task of producing robust, reliable, high-performance implementations of methods at a rapid pace becomes increasingly daunting. In this paper we present an overview of the Tensor Contraction Engine (TCE), a unique effort to address issues of both productivity and performance through automatic code generation. The TCE is designed to take equations for many-body methods in a convenient high-level form and acts like an optimizing compiler, producing an implementation tuned to the target computer system and even to the specific chemical problem of interest. We provide examples to illustrate the TCE approach, including the ability to target different parallel programming models, and the effects of particular optimizations.
Truncated many-body dynamics of interacting bosons: A variational principle with error monitoring
NASA Astrophysics Data System (ADS)
Lee, Kang-Soo; Fischer, Uwe R.
2014-11-01
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.
Many body effects study of electronic & optical properties of silicene-graphene hybrid
NASA Astrophysics Data System (ADS)
Drissi, L. B.; Ramadan, F. Z.
2015-04-01
Using first principles many-body calculations method, we study electronic and optical properties of 2D silicene-graphene hybrid. Based on phonon-spectrum calculations, we show the absence of soft modes indicating the stability of the system. We also calculate the band gap in both the absence and the presence of quasiparticle corrections. The analysis of optical absorption spectra and the correlation in real space between the excited electron-hole states reveals that the excitonic effects in silicene-graphene hybrid are significant and leads to strong bound excitons. The first active exciton is characterized by a binding energy of 0.81 eV, an effective mass 0.41m0 and a Bohr radius of 2.78 Å. The results of this work make silicene-graphene hybrid a promising candidate for optoelectronic applications.
Precise multipole method for calculating many-body hydrodynamic interactions in a microchannel
NASA Astrophysics Data System (ADS)
Kedzierski, Marcin; Wajnryb, Eligiusz
2010-10-01
We introduce a novel and precise method for computing many-body hydrodynamic interactions in a cylindrical microchannel. The method is generic in the sense that we can easily change the radius and the character of particles (hard spheres, droplets, permeable spheres, etc.). These features are not available in any of the existing methods. Comparison with the available results validates our method. In particular we obtain excellent agreement with the analytically known expression for the single particle friction coefficient. Additionally we observe negative hydrodynamic coupling for finite particles which are consistent with the recently reported effect for point particles. As an example we compute the velocities of polymeric chains of particles in parabolic flow and compare them to unbounded space. The method will be helpful in the understanding of physical and physicochemical processes in a wide range of bio-, geophysical, and microfluidic systems.
PROGRAPE-1 A Programmable, Multi-Purpose Computer for Many-Body Simulations
Hamada, T; Kawai, A; Makino, J; Hamada, Tsuyoshi; Fukushige, Toshiyuki; Kawai, Atsushi; Makino, Junichiro
1999-01-01
We have developed PROGRAPE-1 (PROgrammable GRAPE-1), a programmable multi-purpose computer for many-body simulations. The main difference between PROGRAPE-1 and "traditional" GRAPE systems is that the former uses FPGA (Field Programmable Gate Array) chips as the processing elements, while the latter rely on the hardwired pipeline processor specialized to gravitational interactions. Since the logic implemented in FPGA chips can be reconfigured, we can use PROGRAPE-1 to calculate not only gravitational interactions but also other forms of interactions such as van der Waals force, hydrodynamical interactions in SPH calculation and so on. PROGRAPE-1 comprises two Altera EPF10K100 FPGA chips, each of which contains nominally 100,000 gates. To evaluate the programmability and performance of PROGRAPE-1, we implemented a pipeline for gravitational interaction similar to that of GRAPE-3. One pipeline fitted into a single FPGA chip, which operated at 16 MHz clock. Thus, for gravitational interaction, PROGRAPE-1 provide...
Precise multipole method for calculating many-body hydrodynamic interactions in a microchannel.
Kedzierski, Marcin; Wajnryb, Eligiusz
2010-10-21
We introduce a novel and precise method for computing many-body hydrodynamic interactions in a cylindrical microchannel. The method is generic in the sense that we can easily change the radius and the character of particles (hard spheres, droplets, permeable spheres, etc.). These features are not available in any of the existing methods. Comparison with the available results validates our method. In particular we obtain excellent agreement with the analytically known expression for the single particle friction coefficient. Additionally we observe negative hydrodynamic coupling for finite particles which are consistent with the recently reported effect for point particles. As an example we compute the velocities of polymeric chains of particles in parabolic flow and compare them to unbounded space. The method will be helpful in the understanding of physical and physicochemical processes in a wide range of bio-, geophysical, and microfluidic systems. PMID:20969368
Many-body microhydrodynamics of colloidal particles with active boundary layers
NASA Astrophysics Data System (ADS)
Singh, Rajesh; Ghose, Somdeb; Adhikari, R.
2015-06-01
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 solution linearly relates the unknown rigid body motion to the known values of the expansion coefficients, motivating the introduction of propulsion matrices. These matrices completely characterize hydrodynamic interactions in active suspensions just as mobility matrices completely characterize hydrodynamic interactions in passive suspensions. The reduction in the dimensionality of the problem, from a three-dimensional partial differential equation to a two-dimensional integral equation, allows for dynamic simulations of hundreds of thousands of active particles on multi-core computational architectures. In our simulation of 104 active colloidal particle in a harmonic trap, we find that the necessary and sufficient ingredients to obtain steady-state convective currents, the so-called ‘self-assembled pump’, are (a) one-body self-propulsion and (b) two-body rotation from the vorticity of the Stokeslet induced in the trap.
Non-local propagation of correlations in long-range interacting quantum systems
NASA Astrophysics Data System (ADS)
Lee, A. C.; Richerme, P.; Gong, Z.-X.; Senko, C.; Smith, J.; Foss-Feig, M.; Michalakis, S.; Gorshkov, A. V.; Monroe, C.
2014-05-01
The maximum speed with which information can propagate in a many body quantum system can dictate how demanding the system is to describe numerically and also how quickly disparate sites can become correlated. While these kinds of phenomena may be difficult or even impossible for classical computers to describe, trapped ions provide an excellent platform for investigating this rich quantum many-body physics. Using single-site resolved state-dependent imaging, we experimentally determine the spatial and time-dependent correlations of a far-from-equilibrium quantum many-body system evolving under a long-range Ising- or XY-model Hamiltonian. For varying interaction ranges, we extract the shape of the ``light'' cone and measure the velocity with which correlations propagate through the system. In many cases, we find increasing propagation velocities, which violate the prediction for short-range interactions and, in one instance, cannot be explained by any existing theory. Our results show that even for modest system sizes, trapped ion quantum simulators are well poised to study complex many-body physics which are intractable to classical methods. This work is supported by grants from the U.S. Army Research Office with funding from the DARPA OLE program, IARPA, and the MURI program; and the NSF Physics Frontier Center at JQI.
The dimensionality reduction at surfaces as a playground for many-body and correlation effects
NASA Astrophysics Data System (ADS)
Tejeda, A.; Michel, E. G.; Mascaraque, A.
2013-03-01
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
An Open-System Quantum Simulator with Trapped Ions
Barreiro, Julio T; Schindler, Philipp; Nigg, Daniel; Monz, Thomas; Chwalla, Michael; Hennrich, Markus; Roos, Christian F; Zoller, Peter; Blatt, Rainer; 10.1038/nature09801
2011-01-01
The control of quantum systems is of fundamental scientific interest and promises powerful applications and technologies. Impressive progress has been achieved in isolating the systems from the environment and coherently controlling their dynamics, as demonstrated by the creation and manipulation of entanglement in various physical systems. However, for open quantum systems, engineering the dynamics of many particles by a controlled coupling to an environment remains largely unexplored. Here we report the first realization of a toolbox for simulating an open quantum system with up to five qubits. Using a quantum computing architecture with trapped ions, we combine multi-qubit gates with optical pumping to implement coherent operations and dissipative processes. We illustrate this engineering by the dissipative preparation of entangled states, the simulation of coherent many-body spin interactions and the quantum non-demolition measurement of multi-qubit observables. By adding controlled dissipation to coheren...
NASA Astrophysics Data System (ADS)
Daley, Andrew J.
2013-02-01
We give an introduction to the time-evolving block decimation algorithm, which can be used to compute ground states and time-dependent many-body dynamics for one-dimensional (1d) systems. The method is particularly well suited to lattice and spin models, and has been applied to the computation of the dynamics of cold atoms in optical lattices for realistic experimental parameters and system sizes.
Many-body processes in black and gray matter-wave solitons
NASA Astrophysics Data System (ADS)
Krönke, Sven; Schmelcher, Peter
2015-05-01
We perform a comparative beyond-mean-field study of black and gray solitonic excitations in a finite ensemble of ultracold bosons confined to a one-dimensional box. An optimized density-engineering potential is developed and employed together with phase imprinting to cleanly initialize gray solitons. By means of ab initio simulations with the multiconfiguration time-dependent Hartree method for bosons, we demonstrate that quantum fluctuations limit the lifetime of the soliton contrast, which increases with increasing soliton velocity. A natural orbital analysis reveals a two-stage process underlying the decay of the soliton contrast. The broken parity symmetry of gray solitons results in a local asymmetry of the orbital mainly responsible for the decay, which leads to a characteristic asymmetry of remarkably localized two-body correlations. The emergence and decay of these correlations as well as their displacement from the instantaneous soliton position are analyzed in detail. Finally, the role of phase imprinting for the many-body dynamics is illuminated and additional nonlocal correlations in pairs of counterpropagating gray solitons are observed.
Dave Bacon; Steven T. Flammia; Gregory M. Crosswhite
2013-06-18
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.
Giampaolo, S M; Illuminati, F
2015-01-01
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...
Chiral Symmetry and Electron-Electron Interaction in Many-Body Gap Formation in Graphene
NASA Astrophysics Data System (ADS)
Hamamoto, Y.; Hatsugai, Y.; Aoki, H.
2012-12-01
We study a many-body ground state of graphene in perpendicular magnetic fields. Chiral symmetry in graphene enables us to determine the many-body ground state, which turns out to be a doubly degenerate chiral condensate for the half-filled (undoped) case. In the ground state a prominent charge accumulation emerges along zigzag edges. We also show that gapless excitations are absent despite the presence of the robust edge modes, which is consistent with the Chern number C = 0.
Many-body Effects of Matrix-Inversion in Low-Reynolds-Number Hydrodynamics
Kengo Ichiki; J. F. Brady
1999-01-01
In low-Reynolds-number hydrodynamics it is known that inversion of the pair-wise mobility matrix takes into account some many-body effects. In this work the precise relation between the inverse and the many-body interactions is shown theoretically. This relation is examined in detail for a three-body problem, and show that the straightforward method of reflections may fail to converge. This limitation can
Nonperturbative Gadget for Topological Quantum Codes
Yoshida, Beni
Many-body entangled systems, in particular topologically ordered spin systems proposed as resources for quantum information processing tasks, often involve highly nonlocal interaction terms. While one may approximate such ...
Many-body exchange-overlap interactions in rare gases and water
NASA Astrophysics Data System (ADS)
Gillan, M. J.
2014-12-01
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.
Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures.
Choudhary, Kamal; Liang, Tao; Chernatynskiy, Aleksandr; Phillpot, Simon R; Sinnott, Susan B
2015-08-01
This work presents the development and applications of a new empirical, variable charge potential for Al2O3 systems within the charge optimized many-body (COMB) potential framework. The potential can describe the fundamental physical properties of Al2O3, including cohesive energy, elastic constants, defect formation energies, surface energies and phonon properties of ?-Al2O3 comparable to that obtained from experiments and first-principles calculations. The potential is further employed in classical molecular dynamics (MD) simulations to validate and predict the properties of the Al (1?1?1)-Al2O3 (0?0?0?1) interface, tensile properties of Al nanowires, Al2O3 nanowires, Al2O3-covered Al nanowires, and defective Al2O3 nanowires. The results demonstrate that the potential is well-suited to model heterogeneous material systems involving Al and Al2O3. Most importantly, the parameters can be seamlessly coupled with COMB3 parameters for other materials to enable MD simulations of a wide range of heterogeneous material systems. PMID:26151746
Many-body Propagator Theory with Three-Body Interactions: a Path to Exotic Open Shell Isotopes
NASA Astrophysics Data System (ADS)
Barbieri, C.
2014-08-01
Ab-initio predictions of nuclei with masses up to A~100 or more are becoming possible thanks to novel advances in computations and in the formalism of many-body physics. Some of the most fundamental issues include how to deal with many-nucleon interactions, how to calculate degenerate—open shell—systems, and pursuing ab-initio approaches to reaction theory. Self-consistent Green's function (SCGF) theory is a natural approach to address these challenges. Its formalism has recently been extended to three- and many-body interactions and reformulated within the Gorkov framework to reach semi-magic open shell isotopes. These exciting developments, together with the predictive power of chiral nuclear Hamiltonians, are opening the path to understanding large portions of the nuclear chart, especially within the sd and pf shells. The present talk reviews the most recent advances in ab-initio nuclear structure and many-body theory that have been possible through the SCGF approach.
Computational Methods for Simulating Quantum Computers H. De Raedt
mechanics and quantum chemistry, it is well known that simulating an interacting quantum many-body systemComputational Methods for Simulating Quantum Computers H. De Raedt and K. Michielsen Department to simulate quantum computers. It covers the basic concepts of quantum computation and quantum algorithms
An Introductory Guide to GREEN’S Function Methods in Nuclear Many-Body Problems
NASA Astrophysics Data System (ADS)
Kuo, T. T. S.; Tzeng, Yiharn
We present an elementary and fairly detailed review of several Green’s function methods for treating nuclear and other many-body systems. We first treat the single-particle Green’s function, by way of which some details concerning linked diagram expansion, rules for evaluating Green’s function diagrams and solution of the Dyson’s integral equation for Green’s function are exhibited. The particle-particle hole-hole (pphh) Green’s function is then considered, and a specific time-blocking technique is discussed. This technique enables us to have a one-frequency Dyson’s equation for the pphh and similarly for other Green’s functions, thus considerably facilitating their calculation. A third type of Green’s function considered is the particle-hole Green’s function. RPA and high order RPA are treated, along with examples for setting up particle-hole RPA equations. A general method for deriving a model-space Dyson’s equation for Green’s functions is discussed. We also discuss a method for determining the normalization of Green’s function transition amplitudes based on its vertex function. Some applications of Green’s function methods to nuclear structure and recent deep inelastic lepton-nucleus scattering are addressed.
PROGRAPE-1: A Programmable, Multi-Purpose Computer for Many-Body Simulations
Tsuyoshi Hamada; Toshiyuki Fukushige; Atsushi Kawai; Junichiro Makino
1999-07-08
We have developed PROGRAPE-1 (PROgrammable GRAPE-1), a programmable multi-purpose computer for many-body simulations. The main difference between PROGRAPE-1 and "traditional" GRAPE systems is that the former uses FPGA (Field Programmable Gate Array) chips as the processing elements, while the latter rely on the hardwired pipeline processor specialized to gravitational interactions. Since the logic implemented in FPGA chips can be reconfigured, we can use PROGRAPE-1 to calculate not only gravitational interactions but also other forms of interactions such as van der Waals force, hydrodynamical interactions in SPH calculation and so on. PROGRAPE-1 comprises two Altera EPF10K100 FPGA chips, each of which contains nominally 100,000 gates. To evaluate the programmability and performance of PROGRAPE-1, we implemented a pipeline for gravitational interaction similar to that of GRAPE-3. One pipeline fitted into a single FPGA chip, which operated at 16 MHz clock. Thus, for gravitational interaction, PROGRAPE-1 provided the speed of 0.96 Gflops-equivalent. PROGRAPE will prove to be useful for wide-range of particle-based simulations in which the calculation cost of interactions other than gravity is high, such as the evaluation of SPH interactions.
NASA Astrophysics Data System (ADS)
Loftus, T.; Xu, X.-Y.; Ido, T.; Boyd, M.; Hall, J. L.; Gallagher, A.; Ye, J.
2004-12-01
We report the first experimental study of sub-Doppler cooling in alkaline earth atoms (87Sr) enabled by the presence of nuclear spin-originated magnetic degeneracy in the atomic ground state. A detailed investigation of system thermodynamics with respect to trapping beam parameters clearly reveals sub-Doppler temperatures despite the presence of multiple, closely spaced excited-states. This novel result is confirmed by a multi-level theory of the radiative cooling force. In addition, we describe an experimental study of magnetically trapped 3P2 state metastable 88Sr, a system that may ultimately provide unique insights into the physics of many-body systems with anisotropic interactions.
Equilibration, thermalisation, and the emergence of statistical mechanics in closed quantum systems
C. Gogolin; J. Eisert
2015-03-25
We review selected advances in the theoretical understanding of complex quantum many-body systems with regard to emergent notions of quantum statistical mechanics. We cover topics such as equilibration and thermalisation in pure state statistical mechanics, the eigenstate thermalisation hypothesis, the equivalence of ensembles, non-equilibration dynamics following global and local quenches as well as ramps. We also address initial state independence, absence of thermalisation, and many-body localisation. We elucidate the role played by key concepts for these phenomena, such as Lieb-Robinson bounds, entanglement growth, typicality arguments, quantum maximum entropy principles and the generalised Gibbs ensembles, and quantum (non-)integrability. We put emphasis on rigorous approaches and present the most important results in a unified language.
Incorporating many-body effects into modeling of semiconductor lasers and amplifiers
Ning, C.Z.; Moloney, J.V.; Indik, R.A. [Univ. of Arizona, Tucson, AZ (United States)] [and others
1997-06-01
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.
Botti, Silvana
The many-body problem A solution: DFT HK theorems KS scheme Summary Key concepts in Density Functional Theory (I) From the many body problem to the Kohn-Sham scheme Silvana Botti European Theoretical's University, Belfast Key concepts in Density Functional Theory (I) Silvana Botti #12;The many-body problem
Neumark, Daniel M.
14...: Binding, many-body effects, and structures Thomas Lenzer,a) Michael R. Furlanetto,b) Nicholas L. Pivonka spectroscopy and various nonadditive terms. The EAs calculated without many-body effects overestimate the experimental EAs by up to 3000 cm 1 . Repulsive many-body induction in the anion clusters is found
Many-body theory for multipole polarizabilities and dispersion forces in helium-helium interactions
B. K. Rao
1984-01-01
Linked cluster many-body perturbation theory has been developed for the calculation of the dynamic quadrupole polarizabilities of the helium atom in its ground state. The polarizabilities have been used to calculate the London dispersion force constants for He-He interactions. The results for the polarizabilities and the van der Waals constants compare very well with other standard values.
Carbon nanotube Bloch equations: A many-body approach to nonlinear and ultrafast optical properties
Matthias Hirtschulz; Frank Milde; Ermin Malic; Stefan Butscher; Christian Thomsen; Stephanie Reich; Andreas Knorr
2008-01-01
Carbon nanotube Bloch equations are proposed to analyze the many-body electron dynamics for optical interband transitions in carbon nanotubes. As a first approach, the Bloch equations for microscopic transitions and occupations are discussed within the screened Hartree-Fock approximation. The potential of the Bloch equation approach is illustrated for linear and nonlinear optical spectra and ultrafast electron dynamics in carbon nanotubes.
Many-body theory of positron-atom interactions G. F. Gribakin* and J. Ludlow
Gribakin, Gleb
Many-body theory of positron-atom interactions G. F. Gribakin* and J. Ludlow Department of Applied for the problem of positron-atom scattering and annihilation. Strong electron-positron correlations are included nonperturbatively through the calculation of the electron- positron vertex function. It corresponds to the sum
Many-body solitons in a one-dimensional condensate of hard core bosons
M. D. Girardeau; E. M. Wright
2000-02-03
A mapping theorem leading to exact many-body dynamics of impenetrable bosons in one dimension reveals dark and gray soliton-like structures in a toroidal trap which is phase-imprinted. On long time scales revivals appear that are beyond the usual mean-field theory.
Many-body effects in electron liquids with Rashba spin-orbit coupling
George E. Simion
2006-01-01
The main topic of the present thesis is represented by the many-body effects which characterize the physical behavior of an electron liquid in various realizations. We begin by studying the problem of the response of an otherwise homogeneous electron liquid to the potential of an impurity embedded in its bulk. The most dramatic consequence of this perturbation is the existence
Precise multipole method for calculating many-body hydrodynamic interactions in a microchannel
Marcin Dzierski; Eligiusz Wajnryb
2010-01-01
We introduce a novel and precise method for computing many-body hydrodynamic interactions in a cylindrical microchannel. The method is generic in the sense that we can easily change the radius and the character of particles (hard spheres, droplets, permeable spheres, etc.). These features are not available in any of the existing methods. Comparison with the available results validates our method.
Energy benchmarks for water clusters and ice structures from an embedded many-body expansion
Alfè, Dario
for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIIIEnergy benchmarks for water clusters and ice structures from an embedded many-body expansion M. J://jcp.aip.org/authors #12;THE JOURNAL OF CHEMICAL PHYSICS 139, 114101 (2013) Energy benchmarks for water clusters and ice
Quantum Games and Programmable Quantum Systems
Edward W. Piotrowski; Jan Sladkowski
2005-01-01
Attention to the very physical aspects of information characterizes the current research in quantum computation, quantum cryptography and quantum communication. In most of the cases quantum description of the system provides advantages over the classical approach. Game theory, the study of decision making in conflict situation has already been extended to the quantum domain. We would like to review the
Nonlinear brain dynamics as macroscopic manifestation of underlying many-body field dynamics
Walter J. Freeman; Giuseppe Vitiello
2005-11-22
Neural activity patterns related to behavior occur at many scales in time and space from the atomic and molecular to the whole brain. Here we explore the feasibility of interpreting neurophysiological data in the context of many-body physics by using tools that physicists have devised to analyze comparable hierarchies in other fields of science. We focus on a mesoscopic level that offers a multi-step pathway between the microscopic functions of neurons and the macroscopic functions of brain systems revealed by hemodynamic imaging. We use electroencephalographic (EEG) records collected from high-density electrode arrays fixed on the epidural surfaces of primary sensory and limbic areas in rabbits and cats trained to discriminate conditioned stimuli (CS) in the various modalities. High temporal resolution of EEG signals with the Hilbert transform gives evidence for diverse intermittent spatial patterns of amplitude (AM) and phase modulations (PM) of carrier waves that repeatedly re-synchronize in the beta and gamma ranges at near zero time lags over long distances. The dominant mechanism for neural interactions by axodendritic synaptic transmission should impose distance-dependent delays on the EEG oscillations owing to finite propagation velocities. It does not. EEGs instead show evidence for anomalous dispersion: the existence in neural populations of a low velocity range of information and energy transfers, and a high velocity range of the spread of phase transitions. This distinction labels the phenomenon but does not explain it. In this report we explore the analysis of these phenomena using concepts of energy dissipation, the maintenance by cortex of multiple ground states corresponding to AM patterns, and the exclusive selection by spontaneous breakdown of symmetry (SBS) of single states in sequences.
Optically Engineered Quantum States in Ultrafast and Ultracold Systems
NASA Astrophysics Data System (ADS)
Ohmori, Kenji
2014-08-01
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.
Non-Markovian dynamics in open quantum systems
Heinz-Peter Breuer; Elsi-Mari Laine; Jyrki Piilo; Bassano Vacchini
2015-05-06
The dynamical behavior of open quantum systems plays a key role in many applications of quantum mechanics, examples ranging from fundamental problems, such as the environment-induced decay of quantum coherence and relaxation in many-body systems, to applications in condensed matter theory, quantum transport, quantum chemistry and quantum information. In close analogy to a classical Markov process, the interaction of an open quantum system with a noisy environment is often modelled by a dynamical semigroup with a generator in Lindblad form, which describes a memoryless dynamics leading to an irreversible loss of characteristic quantum features. However, in many applications open systems exhibit pronounced memory effects and a revival of genuine quantum properties such as quantum coherence and correlations. Here, recent results on the rich non-Markovian quantum dynamics of open systems are discussed, paying particular attention to the rigorous mathematical definition, to the physical interpretation and classification, as well as to the quantification of memory effects. The general theory is illustrated by a series of examples. The analysis reveals that memory effects of the open system dynamics reflect characteristic features of the environment which opens a new perspective for applications, namely to exploit a small open system as a quantum probe signifying nontrivial features of the environment it is interacting with. This article further explores the various physical sources of non-Markovian quantum dynamics, such as structured spectral densities, nonlocal correlations between environmental degrees of freedom and correlations in the initial system-environment state, in addition to developing schemes for their local detection. Recent experiments on the detection, quantification and control of non-Markovian quantum dynamics are also discussed.
NASA Astrophysics Data System (ADS)
Cahill, Reginald T.
2002-10-01
So far proposed quantum computers use fragile and environmentally sensitive natural quantum systems. Here we explore the new notion that synthetic quantum systems suitable for quantum computation may be fabricated from smart nanostructures using topological excitations of a stochastic neural-type network that can mimic natural quantum systems. These developments are a technological application of process physics which is an information theory of reality in which space and quantum phenomena are emergent, and so indicates the deep origins of quantum phenomena. Analogous complex stochastic dynamical systems have recently been proposed within neurobiology to deal with the emergent complexity of biosystems, particularly the biodynamics of higher brain function. The reasons for analogous discoveries in fundamental physics and neurobiology are discussed.
Quantum Mechanics + Open Systems
Steinhoff, Heinz-Jürgen
Quantum Mechanics + Open Systems = Thermodynamics ? Jochen Gemmer T¨ubingen, 09.02.2006 #12., World Scientific) #12;Fundamental Law or Emergent Description? Quantum Mechanics i t = (- 2 2m + V or Emergent Description? Quantum Mechanics i t = (- 2 2m + V ) "Heisenberg Cut" Classical Mechanics: m d2
Non-local propagation of correlations in quantum systems with long-range interactions
NASA Astrophysics Data System (ADS)
Richerme, Philip; Gong, Zhe-Xuan; Lee, Aaron; Senko, Crystal; Smith, Jacob; Foss-Feig, Michael; Michalakis, Spyridon; Gorshkov, Alexey V.; Monroe, Christopher
2014-07-01
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.
Non-local propagation of correlations in quantum systems with long-range interactions.
Richerme, Philip; Gong, Zhe-Xuan; Lee, Aaron; Senko, Crystal; Smith, Jacob; Foss-Feig, Michael; Michalakis, Spyridon; Gorshkov, Alexey V; Monroe, Christopher
2014-07-10
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
Photodetachment of metal cluster negative ions within many-body theory
NASA Astrophysics Data System (ADS)
Polozkov, R. G.; Ivanov, V. K.; Korol, A. V.; Solov'yov, A. V.
2012-11-01
The photodetachment cross section and photoelectron angular distribution of metal cluster negative ions are studied theoretically within the consistent many-body theory. Using the Hartree-Fock approximation for the delocalized electrons and the jellium model for the ionic core as the initial approximations, the many-electron correlations are taken into account within the Random Phase Approximation with Exchange. Our calculations demonstrate the dominant role of the many-body effects in the formation of cross sections and angular distributions of photoelectrons emitted from sodium clusters and are in good agreement with the existing experimental data. The concrete comparison of the theory and experiment has been performed for the photoionization of Na7 -, Na19 -, Na57 anions with entirely closed shells of delocalized electrons.
Hierarchy of multiple many-body interaction scales in high-temperature superconductors
Hussain, Zahid; Meevasana, W.; Zhou, X.J.; Sahrakorpi, S.; Lee, W.S.; Yang, W.L.; Tanaka, K.; Mannella, N.; Yoshida, T.; Lu, D.H.; Chen, Y.L.; He, R.H.; Lin, Hsin; Komiya, S.; Ando, Y.; Zhou, F.; Ti, W.X.; Xiong, J.W.; Zhao, Z.X.; Sasagawa, T.; Kakeshita, T.; Fujita, K.; Uchida, S.; Eisaki, H.; Fujimori, A.; Hussain, Z.; Markiewicz, R.S.; Bansil, A.; Nagaosa, N.; Zaanen, J.; Devereaux, T.P.; Shen, Z.X.
2006-12-21
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.
The hierarchy of multiple many-body interaction scales in high-temperature superconductors
Meevasana, W.
2010-05-03
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.
Many-body effects on surface stress, surface energy and surface relaxation of fcc metals
T. M. Trimble; R. C. Cammarata
2008-01-01
The results of an investigation aimed at isolating the role played by pair-wise and many-body contributions in determining the surface stress, surface energy and surface relaxation for clean, low-index fcc metal surfaces are presented. General expressions for surface stress and surface energy are developed for generic embedded atom method (EAM) potentials and are contrasted with results derived from central-force pair
Many-body effect in the static yield stress of electrorheological fluid
Montonori Ota; Tetsuo Miyamoto
1993-01-01
We have calculated the static yield stress of electrorheological fluid directly introducing cubic particle chains arranged in a triangular lattice to elucidate the influence of the many-body effect. The shape of the stress-strain curve at a high concentration of particles is much different from that at a low concentration, and the static yield stress saturates at a high concentration (?=0.4),
Dansha Jiang
2010-01-01
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.
Parallel Many--Body Simulations Without All--to--All Communication
Bruce Hendrickson; Steve Plimpton Sandia
1993-01-01
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...
Parallel Many-Body Simulations without All-to-All Communication
Bruce Hendrickson; Steve Plimpton
1995-01-01
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...
W. R. Johnson; U. I. Safronova; A. Derevianko; M. S. Safronova
2008-01-01
Excitation energies of ns, np, nd, and nf (n 6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up to n =
W. R. Johnson; U. I. Safronova; A. Derevianko; M. S. Safronova
2008-01-01
The excitation energies of ns , np , nd , and nf (n<=6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up
W. R. Johnson; U. I. Safronova; A. Derevianko; M. S. Safronova
2008-01-01
Excitation energies of ns, np, nd, and nf (n <= 6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up to n
Hierarchy of multiple many-body interaction scales in high-temperature superconductors
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
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
Hierarchy of multiple many-body interaction scales in high-temperature superconductors
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
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
Zero-point energy differences and many-body dispersion forces
E. A. Power; T. Thirunamachandran
1994-01-01
The fully retarded dispersion interaction potentials, including many-body interactions, among neutral molecules are found in a systematic way. The method used relates the total zero-point energy of all the electromagnetic modes with the spectral sum of a linear operator. The difference between the zero-point energies with and without the molecules present is given as a contour integral. From the value
M. N. Huda; A. K. Ray
2003-01-01
The formalism of second order many body perturbation theory has been applied to investigate the electronic and geometric structures of neutral, cationic, and anionic Agn (n=5-9) clusters. Hay-Wadt relativistic effective core potentials replacing the twenty-eight core electrons and a Gaussian basis set have been used. Full geometry optimizations of topologically different clusters and clusters belonging to different symmetry groups have
C. W. J. Beenakker; P. Mazur
1983-01-01
We evaluate the wavevector dependent (short-time) diffusion coefficient D(k) for spherical particles in suspension. Our analysis is valid up to high concentrations and fully takes into account the many-body hydrodynamic interactions between an arbitrary number of spheres. By resumming moreover a certain class of correlations, we obtain results which agree well with available experimental data for the small and large
Harmonic-potential theorem: Implications for approximate many-body theories
John F. Dobson
1994-01-01
We consider interacting particles in an external harmonic potential. We extend the B=0 case of the generalized Kohn theorem, giving a ``harmonic-potential theorem'' (HPT) demonstrating rigid, arbitrary-amplitude, time-oscillatory Schrödinger transport of a many-body eigenfunction. We show analytically that the time-dependent local-density approximation (TDLDA) satisfies the HPT exactly. Other approximations, such as linearized TDLDA with frequency-dependent exchange-correlation kernel and certain inhomogeneous
The Effect of Many-Body Interactions on the Sedimentation of Monodisperse Particle Dispersions
Xu; Nikolov; Wasan
1998-01-01
An experimental investigation was made of the sedimentation rate of low-charged monodisperse silica and polystyrene latex particle dispersions as a function of the particle volume fraction. It was found that the normalized sedimentation velocity U/U0, corrected for the effect of the two-body hydrodynamic interaction, increases with the particle volume fraction, which indicates that the degree of particle aggregation inside the dispersions increases with the particle volume fraction. This phenomenon results from attractive many-body hydrodynamic interactions between colloidal particles. It is reported for the first time that the many-body hydrodynamic interaction becomes important at the particle concentration of 6.5 vol% in monodisperse dispersions, and the many-body thermodynamic interaction is negligible at a low particle concentration, i.e., less than 15 vol%. The effect of many-body hydrodynamic interaction on the particle microstructure was also experimentally examined by using a nondestructive Kossel diffraction technique based on the principle of back-light scattering. It was found that the particle packing structure inside the dispersion initially becomes more ordered with the increase of the particle volume fraction. However, there is less increase in the particle ordering structure after 6 vol%. Furthermore, after the particle concentration reaches 10 vol%, the particle packing structure decreases to a value lower than that of 6 vol% due to the increased particle aggregation, as found in the sedimentation experiments. Predictions of a statistical thermodynamic model were compared with the experimental data on structure factors. It is found that particle dimerization occurs around 10 vol%, which agrees with the sedimentation results. Copyright 1998 Academic Press. Copyright 1998Academic Press PMID:9466856
Many-body effects on out-of-plane phonons in graphene
J. González; E. Perfetto
2009-01-01
We study the properties of out-of-plane phonons in the framework of the many-body theory of graphene. We investigate, in particular, the way in which the coupling to electron-hole excitations renormalizes the dispersion of the acoustic branch of out-of-plane phonons. We show that the effect of the charge polarization cuts off the quadratic dispersion at low energies, implying the absence of
Quasi-Genes: The Many-Body Theory of Gene Regulation in the Presence of Decoys
NASA Astrophysics Data System (ADS)
Burger, Anat
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,
Quantum imitations of physical phenomena.
Ortiz, G. (Gerardo)
2001-01-01
Quantum imitation is an attempt to exploit quantum laws to advantage, and thus accomplish efficient simulation of physical phenomena. We discuss the fundamental concepts behind this new paradigm of information processing, such as the connection between models of computation and physical systems, along with the first imitation of a toy quantum many-body problem.
Stability of local quantum dissipative systems
Toby S. Cubitt; Angelo Lucia; Spyridon Michalakis; David Perez-Garcia
2015-04-28
Open quantum systems weakly coupled to the environment are modeled by completely positive, trace preserving semigroups of linear maps. The generators of such evolutions are called Lindbladians. In the setting of quantum many-body systems on a lattice it is natural to consider Lindbladians that decompose into a sum of local interactions with decreasing strength with respect to the size of their support. For both practical and theoretical reasons, it is crucial to estimate the impact that perturbations in the generating Lindbladian, arising as noise or errors, can have on the evolution. These local perturbations are potentially unbounded, but constrained to respect the underlying lattice structure. We show that even for polynomially decaying errors in the Lindbladian, local observables and correlation functions are stable if the unperturbed Lindbladian has a unique fixed point and a mixing time which scales logarithmically with the system size. The proof relies on Lieb-Robinson bounds, which describe a finite group velocity for propagation of information in local systems. As a main example, we prove that classical Glauber dynamics is stable under local perturbations, including perturbations in the transition rates which may not preserve detailed balance.
Quantum chaotic tunneling in graphene systems with electron-electron interactions
NASA Astrophysics Data System (ADS)
Ying, Lei; Wang, Guanglei; Huang, Liang; Lai, Ying-Cheng
2014-12-01
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.
Optimal Control Technique for Many-Body Quantum Dynamics Patrick Doria
Ulm, Universität
the time needed to bring a superfluid gas into a Mott insulator state, while suppressing defects by more, the resulting final state (for finite-time transformations) is characterized by some residual excitation energy
Fourth-order diffusion Monte Carlo algorithms for solving quantum many-body problems
Forbert, HA; Chin, Siu A.
2001-01-01
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...
Matrix-Product based Projected Wave Functions Ansatz for Quantum Many-Body Ground States
Chou, Chung-Pin; Lee, Ting-Kuo
2012-01-01
We develop a new projected wave function approach which is based on projection operators in the form of matrix-product operators (MPOs). Our approach allows to variationally improve the short range entanglement of a given trial wave function by optimizing the matrix elements of the MPOs while the long range entanglement is contained in the initial guess of the wave function. The optimization is performed using standard variational Monte Carlo techniques. We demonstrate the efficiency of our approach by considering a one-dimension model of interacting spinless fermions. In addition, we indicate how to generalize this approach to higher dimensions using projection operators which are based on tensor products.
Thermalization in Quantum Systems: An Emergent Approach
Clifford Chafin
2015-02-23
The problems with an emergent approach to quantum statistical mechanics are discussed and shown to follow from some of the same sources as those of quantum measurement. A wavefunction of an N atom solid is described in the ground and excited eigenstates with explicit modifications for phonons. Using the particular subclass of wavefunctions that can correspond to classical solids we investigate the localization properties of atomic centers of mass motion and contrast it with more general linear combinations of phonon states. The effectively large mass of longer modes means that localization present in the ground state persists on excitation of the material by macroscopic coherent disturbances. The "thermalization" that arises then follows from the long term well defined motion of these localized peaks in their 3N dimensional harmonic wells in the same fashion as that of a classical solid in phase space. Thermal production of photons then create an internal radiation field and provides the first dynamical derivation of the Planck distribution from material motions. Significantly, this approach resolves a long standing paradox of thermalization of many body quantum systems from Schr\\"{o}dinger dynamics alone.
Quantum coherence and correlations in quantum system.
Xi, Zhengjun; Li, Yongming; Fan, Heng
2015-01-01
Criteria of measure quantifying quantum coherence, a unique property of quantum system, are proposed recently. In this paper, we first give an uncertainty-like expression relating the coherence and the entropy of quantum system. This finding allows us to discuss the relations between the entanglement and the coherence. Further, we discuss in detail the relations among the coherence, the discord and the deficit in the bipartite quantum system. We show that, the one-way quantum deficit is equal to the sum between quantum discord and the relative entropy of coherence of measured subsystem. PMID:26094795
Relaxation Dynamics and Pre-thermalization in an isolated Quantum System
NASA Astrophysics Data System (ADS)
Schmiedmayer, Jörg
2012-02-01
Understanding non-equilibrium dynamics of many-body quantum systems is crucial for understanding many fundamental and applied physics problems ranging from decoherence and equilibration to the development of future quantum technologies such as quantum computers which are inherently non-equilibrium quantum systems. One of the biggest challenges is that there is no general approach to characterize the resulting quantum states. In this talk I will present how to use the full distribution functions of a quantum observable to study the relaxation dynamics in one-dimensional quantum systems and to characterize the underlying many body states. Interfering two 1 dimensional quantum gases allows to study how the coherence created between the two many body systems by the splitting process [1] slowly dies by coupling to the many internal degrees of freedom available [2]. To reveal the nature of the quantum states behind this de-coherence we analyze the interference of the two evolving quantum systems. The full distribution function of the shot to shot variations of the interference patterns [3,4], especially its higher moments, allows characterizing the underlying physical processes [5]. Two distinct regimes are clearly visible in the experiment: for short length scales the system is characterized by spin diffusion, for long length scales by spin decay [6]. After a rapid evolution the distributions approach a steady state which can be characterized by thermal distribution functions. Interestingly, its (effective) temperature is over five times lower than the kinetic temperature of the initial system. Our system, being a weakly-interacting Bosons in one dimension, is nearly integrable and the dynamics is constrained by constants of motion which leads to the establishment of a generalized Gibbs ensemble and pre-thermalization. We therefore interpret our observations as an illustration of the fast relaxation of a nearly integrable many-body system to a quasi-steady state through de-phasing. The observation of an effective temperature significant different from the expected kinetic temperature supports the observation of the generalized Gibbs state [6]. [4pt] [1] T. Schumm et al. Nature Physics, 1, 57 (2005).[0pt] [2] S. Hofferberth et al. Nature 449, 324 (2007).[0pt] [3] A. Polkovnikov, et al. Proc. Natl. Acad. Sci. 103, 6125 (2006); V. Gritsev, et al., Nature Phys. 2, 705 (2006); [0pt] [4] S. Hofferberth et al. Nature Physics 4, 489 (2008); [0pt] [5] T. Kitagawa, et al., Phys. Rev. Lett. 104, 255302 (2010); New Journal of Physcs, 13 073018 (2011)[0pt] [6] Gring et al., to be published
On the Instability of the Electron-Hole System in Coupled Quantum Wells
NASA Astrophysics Data System (ADS)
Babichenko, V. S.; Polishchuk, I. Ya.
2015-07-01
It is shown that the homogeneous state of the spatially separated electrons and holes in coupled quantum wells (CQW) is instable if the layer charge density is smaller than the critical value specified by the parameters of the CQW. The effect is due to the many-body Coulomb correlations that provide the positive compressibility. The instability results in the formation of the inhomogeneous system that comprises the liquid electron-hole drops.
Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules.
Reboredo, Fernando A [ORNL; Tiago, Murilo L [ORNL; Dagotto, Elbio R [ORNL; Dias Da Silva, Luis G [ORNL; Ulloa, Sergio E [Ohio University, Athens
2009-01-01
We use a unique combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a Cu(111) surface. We find the Kondo temperature to be highly sensitive to both molecule charging and distance to the surface, which can explain the variations observed in recent scanning tunneling spectroscopy measurements. We discuss the importance of manybody effects in the molecular electronic structure controlling this phenomenon and suggest scenarios where enhanced temperatures can be achieved in experiments.
NASA Astrophysics Data System (ADS)
Savukov, I. M.
2007-09-01
Calculations of photoionization cross sections for alkali-metal atoms are carried out in the framework of relativistic many-body perturbation theory (RMBPT) using quasicontinuum B -spline orbitals. All third-order terms are included, in contrast to previous calculations based on either random-phase approximation (RPA), Brueckner orbitals, or their combination. The particular advantage of quasicontinuum states is that high-order MBPT codes do not require modification for applications to the photoionization problem. The agreement with experiment is improved compared to RPA and Dirac-Hartree-Fock approximations. The results also exhibit close form invariance. The presented formalism can be extended to other photoionizing transitions.
Self-consistent RPA based on a many-body vacuum
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
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.
Dominance of extreme statistics in a prototype many-body Brownian ratchet
Evan Hohlfeld; Phillip L. Geissler
2014-11-05
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.
Simulation of Many-Body Hamiltonians using Perturbation Theory with Bounded-Strength Interactions
Sergey Bravyi; David P. DiVincenzo; Daniel Loss; Barbara M. Terhal
2008-03-18
We show how to map a given n-qubit target Hamiltonian with bounded-strength k-body interactions onto a simulator Hamiltonian with two-body interactions, such that the ground-state energy of the target and the simulator Hamiltonians are the same up to an extensive error O(epsilon n) for arbitrary small epsilon. The strength of interactions in the simulator Hamiltonian depends on epsilon and k but does not depend on n. We accomplish this reduction using a new way of deriving an effective low-energy Hamiltonian which relies on the Schrieffer-Wolff transformation of many-body physics.
Simulation of Many-Body Hamiltonians using Perturbation Theory with Bounded-Strength Interactions
Bravyi, Sergey; Loss, Daniel; Terhal, Barbara M
2008-01-01
We show how to map a given n-qubit target Hamiltonian with bounded-strength k-body interactions onto a simulator Hamiltonian with two-body interactions, such that the ground-state energy of the target and the simulator Hamiltonians are the same up to an extensive error O(epsilon n) for arbitrary small epsilon. The strength of interactions in the simulator Hamiltonian depends on epsilon and k but does not depend on n. We accomplish this reduction using a new way of deriving an effective low-energy Hamiltonian which relies on the Schrieffer-Wolff transformation of many-body physics.
Topographical fingerprints of many-body interference in STM junctions on thin insulating films
NASA Astrophysics Data System (ADS)
Donarini, Andrea; Siegert, Benjamin; Sobczyk, Sandra; Grifoni, Milena
2012-10-01
Negative differential conductance is a nonlinear transport phenomenon ubiquitous in molecular nanojunctions. Its physical origin can be the most diverse. In rotationally symmetric molecules with orbitally degenerate many-body states it can be ascribed to interference effects. We establish in this paper a criterion to identify the interference blocking scenario by correlating the spectral and the topographical information achievable in a scanning tunneling microscopy (STM) single-molecule measurement. Simulations of current-voltage characteristics as well as constant-height and constant-current STM images for a Cu-phthalocyanine on a thin insulating film are presented as experimentally relevant examples.
Solvable and/or integrable many-body models on a circle
Oksana Bihun; Francesco Calogero
2014-07-08
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.
Daniel Burgarth; Kazuya Yuasa
2011-04-04
The aim of quantum system identification is to estimate the ingredients inside a black box, in which some quantum-mechanical unitary process takes place, by just looking at its input-output behavior. Here we establish a basic and general framework for quantum system identification, that allows us to classify how much knowledge about the quantum system is attainable, in principle, from a given experimental setup. Prior knowledge on some elements of the black box helps the system identification. We present an example in which a Bell measurement is more efficient to identify the system. When the topology of the system is known, the framework enables us to establish a general criterion for the estimability of the coupling constants in its Hamiltonian.
Quantum dephasing of a two-state system by a nonequilibrium harmonic oscillator
Martens, Craig C. [Department of Chemistry, University of California, Irvine, California 92697-2025 (United States)
2013-07-14
In this paper, we investigate coherent quantum dynamics in a nonequilibrium environment. We focus on a two-state quantum system strongly coupled to a single classical environmental oscillator, and explore the effect of nonstationary statistical properties of the oscillator on the quantum evolution. A simple nonequilibrium model, consisting of an oscillator with a well-defined initial phase which undergoes subsequent diffusion, is introduced and studied. Approximate but accurate analytic expressions for the evolution of the off-diagonal density matrix element of the quantum system are derived in the second-order cumulant approximation. The effect of the initial phase choice on the subsequent quantum evolution is quantified. It is observed that the initial phase can have a significant effect on the preservation of coherence on short time scales, suggesting this variable as a control parameter for optimizing coherence in many-body quantum systems.
Establishing conservation laws in pair-correlated many-body theories: T-matrix approaches
NASA Astrophysics Data System (ADS)
He, Yan; Levin, K.
2014-01-01
We address conservation laws associated with current, momentum, and energy and show how they can be satisfied within many body theories which focus on pair correlations. Of interest are two well known T-matrix theories which represent many body theories which incorporate pairing in the normal state. The first of these is associated with the Nozieres Schmitt-Rink theory, while the second involves the T matrix of a BCS-Leggett-like state as identified by Kadanoff and Martin. T-matrix theories begin with an ansatz for the single particle self energy and are to be distinguished from ?-derivable theories which introduce an ansatz for a particular contribution to the thermodynamical potential. Conservation laws are equivalent to Ward identities which we address in some detail here. Although ?-derivable theories are often referred to as "conserving theories," a consequence of this work is the demonstration that these two T-matrix approaches similarly can be made to obey all conservation laws. When simplifying approximations are made in ?-derivable or other theories, one has to take care that the end results are not incompatible with conservation.
A Relativistic Many-Body Analysis of the Electric Dipole Moment of $^{223}$Rn
B. K. Sahoo; Yashpal Singh; B. P. Das
2014-10-20
We report the results of our {\\it ab initio} relativistic many-body calculations of the electric dipole moment (EDM) $d_A$ arising from the electron-nucleus tensor-pseudotensor (T-PT) interaction, the interaction of the nuclear Schiff moment (NSM) with the atomic electrons and the electric dipole polarizability $\\alpha_d$ for $^{223}$Rn. Our relativistic random-phase approximation (RPA) results are substantially larger than those of lower-order relativistic many-body perturbation theory (MBPT) and the results based on the relativistic coupled-cluster (RCC) method with single and double excitations (CCSD) are the most accurate to date for all the three properties that we have considered. We obtain $d_A = 4.85(6) \\times 10^{-20} C_T \\ |e| \\ cm$ from T-PT interaction, $d_A=2.89(4) \\times 10^{-17} {S/(|e|\\ fm^3)}$ from NSM interaction and $\\alpha_d=35.27(9) \\ ea_0^3$. The former two results in combination with the measured value of $^{223}$Rn EDM, when it becomes available, could yield the best limits for the T-PT coupling constant, EDMs and chromo-EDMs of quarks and $\\theta_{QCD}$ parameter, and would thereby shed light on leptoquark and supersymmetric models that predict CP violation.
NASA Astrophysics Data System (ADS)
Barnes, Edwin; Hwang, E. H.; Throckmorton, R. E.; Das Sarma, S.
2014-06-01
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.
NASA Astrophysics Data System (ADS)
Issaoui, Noureddine; Abdessalem, Kawther; Ghalla, Houcine; Yaghmour, Saud Jamil; Calvo, Florent; Oujia, Brahim
2014-11-01
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
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
Many-body Forces in the Equation of State of Hyperonic Matter
NASA Astrophysics Data System (ADS)
Gomes, R. O.; Dexheimer, V.; Schramm, S.; Vasconcellos, C. A. Z.
2015-07-01
In this work we introduce an extended version of the formalism proposed originally by Taurines et al. that considers the effects of many-body forces simulated by nonlinear self-couplings and meson–meson interaction contributions. In this extended version of the model, we assume that matter is at zero temperature, charge neutral, and in beta-equilibrium, considering that the baryon octet interacts by the exchange of scalar–isoscalar (?, {? }*), vector–isoscalar (?, ?), vector–isovector (\\varrho ), and scalar–isovector (?) meson fields. Using nuclear matter properties, we constrain the parameters of the model that describe the intensity of the indirectly density dependent baryon–meson couplings to a small range of possible values. We then investigate asymmetric hyperonic matter properties. We report that the formalism developed in this work is in reasonable agreement with experimental data and also allows for the existence of massive hyperon stars (with more than 2 {M}? ) with small radii, compatible with astrophysical observations.
The Hubbard Dimer: A Complete DFT Solution to a Many-Body Problem
NASA Astrophysics Data System (ADS)
Smith, Justin; Carrascal, Diego; Ferrer, Jaime; Burke, Kieron
2015-03-01
In this work we explain the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site asymmetric Hubbard model. We discuss the connection between the lattice and real-space and how this is a simple model for stretched H2. We can solve this elementary example analytically, and with that we can illuminate the underlying logic and aims of DFT. While the many-body solution is analytic, the density functional is given only implicitly. We overcome this difficulty by creating a highly accurate parameterization of the exact function. We use this parameterization to perform benchmark calculations of correlation kinetic energy, the adiabatic connection, etc. We also test Hartree-Fock and the Bethe Ansatz Local Density Approximation. We also discuss and illustrate the derivative discontinuity in the exchange-correlation energy and the infamous gap problem in DFT. DGE-1321846, DE-FG02-08ER46496.
Many-body treatment of white dwarf and neutron stars on the brane
Azam, Mofazzal [Theoretical Physics Division, Bhabha Atomic Research Centre, Mumbai (India); Sami, M. [Inter-University Centre for Astronomy and Astrophysics, Pune (India)
2005-07-15
Brane-world models suggest modification of Newton's law of gravity on the 3-brane at submillimeter scales. The brane-world induced corrections are in higher powers of inverse distance and appear as additional terms with the Newtonian potential. The average interparticle distance in white dwarf and neutron stars is 10{sup -10} cms and 10{sup -13} cms, respectively, and therefore, the effect of submillimeter corrections needs to be investigated. We show, by carrying out simple many-body calculations, that the mass and mass-radius relationship of the white dwarf and neutron stars are not effected by submillimeter corrections. However, our analysis shows that the correction terms in the effective theory give rise to force akin to surface tension in normal liquids.
Many-body interactions of carbon monoxide cyclic oligomers: A computational study
NASA Astrophysics Data System (ADS)
Sahu, Prabhat K.; Lee, Shyi-Long
Structural properties and energetics for the optimized carbon monoxide cyclic oligomers are analyzed at the correlated ab initio second-order Møller-Plesset (MP2) and density functional methods (B3LYP and mPW1PW), using Dunning's cc-pVXZ (X = D, T, Q) basis set, augmented with diffuse functions. Many-body interactions of the stable carbon monoxide cyclic oligomers, (CO)4 and (CO)5 are computed at the MP2/aug-cc-pVTZ level. Contributions of two- to five-body terms to each of these oligomers for their interaction energies, including corrections for basis set superposition error (BSSE) are investigated by using function counterpoise and its generalized version. It has been found that three-body terms are attractive in nature and essential in order to describe the cooperative effects in the stable cyclic CO oligomers.
Ping, Y.; Lu, D.; Rocca, D.; Galli, G.
2012-01-20
We present a study of the optical absorption spectra of thin silicon nanowires using many-body perturbation theory. We solve the Bethe-Salpeter equation in the static approximation using a technique that avoids explicit calculation of empty electronic states, as well as storage and inversion of the dielectric matrix. We provide a detailed assessment of the numerical accuracy of this technique, when using plane wave basis sets and periodically repeated supercells. Our calculations show that establishing numerical error bars of computed spectra is critical, in order to draw meaningful comparisons with experiments and between results obtained within different algorithms. We also discuss the influence of surface structure on the absorption spectra of nanowires with {approx_equal}1-nm diameter. Finally, we compare our calculations with those obtained within time-dependent density functional theory and find substantial differences, more pronounced than in the case of Si nanoparticles with the same diameter.
Fragmented many-body states of a spin-2 Bose gas
NASA Astrophysics Data System (ADS)
Jen, H. H.; Yip, S.-K.
2015-06-01
We investigate the fragmented many-body ground states of a spin-2 Bose gas in zero magnetic field. We point out that the exact ground state is not simply an average over rotationally-invariant mean-field states, in contrast to the spin-1 case with even number of particles N . While for some certain parameters the exact ground state is an averaged mean-field state like in the spin-1 case, for other parameters this is not so. We construct the exact ground states and compare them with the angular-averaged polar and cyclic states. The angular-averaged polar states in general fail to retrieve the exact eigenstate at N ?6 while angular-averaged cyclic states sustain only for N with a multiple of 3. We calculate the density matrices and two-particle density matrices to show how deviant the angular-averaged state is from the exact one.
Willow, Soohaeng Yoo; Zhang, Jinmei; Valeev, Edward F; Hirata, So
2014-01-21
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 H2O, CH4, and C6H6 within a few mEh 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. PMID:25669355
Ab Initio Many-Body Calculations Of Nucleon-Nucleus Scattering
Quaglioni, S; Navratil, P
2008-12-17
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.
Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects
NASA Astrophysics Data System (ADS)
Liang, Liangbo; Meunier, Vincent
2012-11-01
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.
A nuclear many-body theory at finite temperature applied to protoneutron star
Guilherme F. Marranghello; Cesar A. Z. Vasconcellos; Manfred Dillig
2002-05-13
Thermodynamical properties of nuclear matter are studied in the framework of an effective many-body field theory at finite temperature, considering the Sommerfeld approximation. We perform the calculations by using the nonlinear Boguta and Bodmer model, extended by the inclusion of the fundamental baryon octet and leptonic degrees of freedom. Trapped neutrinos are included in order to describe protoneutron star properties through the integration of the Tolman-Oppenheimer-Volkoff equations, from which we obtain, beyond the standard plots for the mass and radius of the protoneutron stars as functions of central density, new plots of these quantities as functions of temperature. Our predictions include the determination of an absolute value for the limiting protoneutron star mass; new aspects on nuclear matter phase transition via the behaviour of the specific heat and, through the inclusion of quark degrees of freedom, the properties of a hadron-quark phase transition and of the hybrid protoneutron stars.
Second-order many-body perturbation study of ice Ih
He, Xiao; Sode, Olaseni; Xantheas, Sotiris S.; Hirata, So
2012-11-28
Ice Ih is arguably the most important molecular crystal in nature, yet our understanding of its structural and dynamical properties is still incomplete. To explain the origin of two peaks in the hydrogen-bond-stretching region of the inelastic neutron scattering (INS) spectra, the existence of two types of hydrogen bonds with strengths differing by a factor of two was previously hypothesized. We present first-principles calculations based on diagrammatic many-body perturbation theory of the structures and vibrational spectra of ice Ih, which suggest that the observed spectral features arise from the directionality or anisotropy of the hydrogen-bond stretching vibrations rather than their vastly different force constants, disproving the previous hypothesis. Our calculations also reproduce the infrared and Raman spectra, the variation of INS spectra with deuterium concentration, and the anomaly of heat capacities at low temperatures, together rendering our calculations a paradigm for "crystals from first principles" as envisioned by Maddox.
Danilov, Viatcheslav; /Oak Ridge; Nagaitsev, Sergei; /Fermilab
2011-11-01
Many quantum integrable systems are obtained using an accelerator physics technique known as Ermakov (or normalized variables) transformation. This technique was used to create classical nonlinear integrable lattices for accelerators and nonlinear integrable plasma traps. Now, all classical results are carried over to a nonrelativistic quantum case. In this paper we have described an extension of the Ermakov-like transformation to the Schroedinger and Pauli equations. It is shown that these newly found transformations create a vast variety of time dependent quantum equations that can be solved in analytic functions, or, at least, can be reduced to time-independent ones.
Dielectric Response of Periodic Systems from Quantum Monte Carlo
NASA Astrophysics Data System (ADS)
Umari, Paolo; Willamson, Andrew J.; Marzari, Nicola
2005-03-01
We introduce a novel approach to study the response of periodic systems to finite homogeneous electric fields using the diffusion Quantum Monte Carlo method. The interaction with the electric field is expressed through a generalized many-body electric-enthalpy functional; a Hermitian local potential is then constructed that determines the evolution towards the ground state. This local potential depends self-consistently on the Berry-phase polarization, and is evolved ``on-the-fly'' in the course of the simulation, with the polarization operator evaluated using forward-walking. To validate this approach we calculated the dielectric susceptibility of simple molecular chains, greatly over-estimated by standard density-functional approaches, and found good agreement with the results obtained with correlated quantum-chemistry calculations.
Edwin Barnes; E. H. Hwang; R. E. Throckmorton; S. Das Sarma
2014-06-30
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.
Many-body effects in Cu{sup 2+}(H{sub 2}O){sub m} clusters
Curtiss, L.A. [Argonne National Lab., IL (United States); Rodriguez, W. [Puerto Rico Univ., Bayamon (Puerto Rico). Dept. of Electronic Technology
1992-10-01
The importance of many-body interactions is investigated for m=4,6,8 in Cu{sup 2+}(H{sub 2}O)m clusters using ab initio molecular orbital theory. A slow convergence of the interaction terms to the full many-body result is found similar to what was found in a previous study of Fe{sup 3+}(H{sub 2}O)m clusters. Implications for molecular dynamics and Monte Carlo simulations are discussed.
Many-body effects in Cu[sup 2+](H[sub 2]O)[sub m] clusters
Curtiss, L.A. (Argonne National Lab., IL (United States)); Rodriguez, W. (Puerto Rico Univ., Bayamon (Puerto Rico). Dept. of Electronic Technology)
1992-10-01
The importance of many-body interactions is investigated for m=4,6,8 in Cu[sup 2+](H[sub 2]O)m clusters using ab initio molecular orbital theory. A slow convergence of the interaction terms to the full many-body result is found similar to what was found in a previous study of Fe[sup 3+](H[sub 2]O)m clusters. Implications for molecular dynamics and Monte Carlo simulations are discussed.
Binhua Lin; Xinliang Xu; Bianxiao Cui; David Valley; Stuart A. Rice; Haim Diamant
2007-01-01
We report the results of experimental, theoretical and Brownian dynamic simulation studies of particle displacements in quasi-one-dimensional colloid suspensions. We infer, from a comparison of theory and experiment, that many-body hydrodynamic interaction determines the long wavelength behavior of the collective diffusion coefficient. The consequence of the many body hydrodynamic interaction is an apparent divergence of the so called hydrodynamic factor
Informationally coherent quantum systems
Ryszard Horodecki
1994-01-01
An information-theoretic approach to correlated quantum systems is developed. The precise definitions of the informationally coherent N-component system are presented in terms of the state (observable) dependent index of correlation. The informational coherence of the N-particle GHZ system in an entangled pure state is analysed and it is found that the observable-dependent index of correlation is less than or equal
Many-body dissipative particle dynamics simulation of liquid/vapor and liquid/solid interactions
NASA Astrophysics Data System (ADS)
Arienti, Marco; Pan, Wenxiao; Li, Xiaoyi; Karniadakis, George
2011-05-01
The combination of short-range repulsive and long-range attractive forces in many-body dissipative particle dynamics (MDPD) is examined at a vapor/liquid and liquid/solid interface. Based on the radial distribution of the virial pressure in a drop at equilibrium, a systematic study is carried out to characterize the sensitivity of the surface tension coefficient with respect to the inter-particle interaction parameters. For the first time, the approximately cubic dependence of the surface tension coefficient on the bulk density of the fluid is evidenced. In capillary flow, MDPD solutions are shown to satisfy the condition on the wavelength of an axial disturbance leading to the pinch-off of a cylindrical liquid thread; correctly, no pinch-off occurs below the cutoff wavelength. Moreover, in an example that illustrates the cascade of fluid dynamics behaviors from potential to inertial-viscous to stochastic flow, the dynamics of the jet radius is consistent with the power law predictions of asymptotic analysis. To model interaction with a solid wall, MDPD is augmented by a set of bell-shaped weight functions; hydrophilic and hydrophobic behaviors, including the occurrence of slip in the latter, are reproduced using a modification in the weight function that avoids particle clustering. The dynamics of droplets entering an inverted Y-shaped fracture junction is shown to be correctly captured in simulations parametrized by the Bond number, confirming the flexibility of MDPD in modeling interface-dominated flows.
Many-body forces in the equation of state of hyperonic matter
R. O. Gomes; V. Dexheimer; S. Schramm; C. A. Z. Vasconcellos
2014-11-18
In this work we introduce an extended version of the formalism proposed originally by Taurines et al. that considers the effects of many-body forces simulated by non-linear self-couplings and meson-meson interaction contributions. In this extended version of the model, we assume that matter is at zero temperature, charge neutral and in beta-equilibrium, considering that the baryon octet interacts by the exchange of scalar-isoscalar ($\\sigma$,$\\,\\sigma^*$), vector-isoscalar ($\\omega$,$\\,\\phi$), vector-isovector ($\\varrho$) and scalar-isovector ($\\delta$) meson fields. Using nuclear matter properties, we constrain the parameters of the model that describe the intensity of the indirectly density dependent baryon-meson couplings to a small range of possible values. We then investigate asymmetric hyperonic matter properties. We report that the formalism developed in this work is in agreement with experimental data and also allows for the existence of massive hyperon stars (with more than $2M_{\\odot}$) with small radii, compatible with astrophysical observations.
Thermal conductivity and energetic recoils in UO2 using a many-body potential model.
Qin, M J; Cooper, M W D; Kuo, E Y; Rushton, M J D; Grimes, R W; Lumpkin, G R; Middleburgh, S C
2014-12-10
Classical molecular dynamics simulations have been performed on uranium dioxide (UO2) employing a recently developed many-body potential model. Thermal conductivities are computed for a defect free UO2 lattice and a radiation-damaged, defect containing lattice at 300 K, 1000 K and 1500 K. Defects significantly degrade the thermal conductivity of UO2 as does the presence of amorphous UO2, which has a largely temperature independent thermal conductivity of ?1.4 Wm(-1) K(-1). The model yields a pre-melting superionic transition temperature at 2600 K, very close to the experimental value and the mechanical melting temperature of 3600 K, slightly lower than those generated with other empirical potentials. The average threshold displacement energy was calculated to be 37 eV. Although the spatial extent of a 1 keV U cascade is very similar to those generated with other empirical potentials and the number of Frenkel pairs generated is close to that from the Basak potential, the vacancy and interstitial cluster distribution is different. PMID:25398161
2015-01-01
Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstrate prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the “holy grail” of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. In addition, the same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies. PMID:26113956
D. De Munshi; T. Dutta; R. Rebhi; M. Mukherjee
2014-11-18
The branching fractions from the excited state $6P_{1/2}$ of singly charged barium ion has been measured with a precision $0.05%$ in an ion trap experiment. This measurement along with the known value of the upper state life-time allowed the determination of the dipole matrix elements for the transitions $P-S$ and $P-D$ to below one percent level. Therefore, for the first time it is now possible to compare the many body calculations of these matrix elements at level which is of significance to any parity non-conservation experiment on barium ion. Moreover, these dipole matrix elements are the most significant contributors to the parity violating matrix element between the $S-D$ transition, contributing upto $90%$ to the total. Our results on the dipole matrix elements are $3.306\\pm0.014$ and $3.036\\pm0.016$ for the $S-P$ and $P-D$ transitions respectively.
Evaluation of the coupling parameters of many-body interactions in Fe(110)
NASA Astrophysics Data System (ADS)
Cui, X. Y.; Shimada, K.; Sakisaka, Y.; Kato, H.; Hoesch, M.; Oguchi, T.; Aiura, Y.; Namatame, H.; Taniguchi, M.
2010-11-01
In order to clarify many-body interactions in ferromagnetic iron, we performed high-resolution angle-resolved photoemission spectroscopy (ARPES) on a Fe(110) single crystal. We quantitatively analyzed the ARPES line shapes for a majority-spin band crossing the Fermi level (EF) . The observed group velocity was reduced with respect to the band-structure calculation by a factor of 1/2.7, giving a coupling parameter due to the electron-electron interaction of ?ee=1.7±0.1 . This suggests a strong electron correlation in Fe3d , which is consistent with recent high-resolution ARPES results. The real and imaginary parts of the self-energy have been experimentally evaluated near EF . The coupling parameter of the electron-phonon interaction was estimated to be ?ep=0.16±0.02 , which is 1/10 of ?ee . The effective-mass enhancement with respect to the band mass m?/mb˜1+?ee+?ep˜3 was, therefore, mainly caused by electron correlation.
Second-order many-body perturbation study of ice Ih.
He, Xiao; Sode, Olaseni; Xantheas, Sotiris S; Hirata, So
2012-11-28
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
Second-order many-body perturbation study of ice Ih
NASA Astrophysics Data System (ADS)
He, Xiao; Sode, Olaseni; Xantheas, Sotiris S.; Hirata, So
2012-11-01
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.
Scheme of thinking quantum systems
NASA Astrophysics Data System (ADS)
Yukalov, V. I.; Sornette, D.
2009-11-01
A general approach describing quantum decision procedures is developed. The approach can be applied to quantum information processing, quantum computing, creation of artificial quantum intelligence, as well as to analyzing decision processes of human decision makers. Our basic point is to consider an active quantum system possessing its own strategic state. Processing information by such a system is analogous to the cognitive processes associated to decision making by humans. The algebra of probability operators, associated with the possible options available to the decision maker, plays the role of the algebra of observables in quantum theory of measurements. A scheme is advanced for a practical realization of decision procedures by thinking quantum systems. Such thinking quantum systems can be realized by using spin lattices, systems of magnetic molecules, cold atoms trapped in optical lattices, ensembles of quantum dots, or multilevel atomic systems interacting with electromagnetic field.
Scheme of thinking quantum systems
V. I. Yukalov; D. Sornette
2009-09-07
A general approach describing quantum decision procedures is developed. The approach can be applied to quantum information processing, quantum computing, creation of artificial quantum intelligence, as well as to analyzing decision processes of human decision makers. Our basic point is to consider an active quantum system possessing its own strategic state. Processing information by such a system is analogous to the cognitive processes associated to decision making by humans. The algebra of probability operators, associated with the possible options available to the decision maker, plays the role of the algebra of observables in quantum theory of measurements. A scheme is advanced for a practical realization of decision procedures by thinking quantum systems. Such thinking quantum systems can be realized by using spin lattices, systems of magnetic molecules, cold atoms trapped in optical lattices, ensembles of quantum dots, or multilevel atomic systems interacting with electromagnetic field.
Multiparticle-multihole configuration mixing description of nuclear many-body systems
Robin, C.; Pillet, N.; Le Bloas, J.; Berger, J.-F. [CEA/DAM/DIF, F-91297 Arpajon (France); Zelevinsky, V. G. [Department of Physics and Astronomy and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824 (United States)
2014-10-15
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.
Asymptotic solutions in the many-body problem. I - Planar three-body systems
P. G. D. Barkham; V. J. Modi; A. C. Soudack
1976-01-01
A three-body problem is considered in which two masses, forming a close binary, orbit a comparatively distant mass. An asymptotic solution of this problem is presented in which the small parameter (epsilon) is related to the distance separating the binary and the remaining mass. Accepting certain model constraints, this solution is accurate within a constant error of the order of
Structural Studies of Many-Body Systems and (e,e'p) Reaction Cross Sections
A. N. Antonov; M. K. Gaidarov; M. V. Ivanov; K. A. Pavlova; C. Giusti
2003-12-17
Studies of one-body density matrices (ODM) are performed in various correlation methods, such as the Jastrow method, the correlated basis function method, the Green's function method and the generator coordinate method aiming to extract the absolute spectroscopic factors and overlap functions (OF) for one-nucleon removal reactions from the ODM of the target nucleus. The advantage of this method is that it avoids the complicated task of calculating the total nuclear spectral function. The procedure for extracting bound-state OF's has been applied to make calculations of the cross sections of the $(e,e^{\\prime}p)$ reaction on the closed-shell nuclei $^{16}$O and $^{40}$Ca as well as on the open-shell nucleus $^{32}$S consistently (using the same OF's) with the cross sections of $(p,d)$ and $(\\gamma,p)$ reactions on the same nuclei. The analyses of the reaction cross sections and the spectroscopic factors and the comparison with the experimental data show the particular importance of these OF's, since they contain effects of nucleon correlations (short-range and/or long-range) which are accounted for to different extent in the theoretical methods considered.
Conditional pair distributions in many-body systems: exact results for Poisson ensembles.
Rohrmann, René D; Zurbriggen, Ernesto
2012-05-01
We introduce a conditional pair distribution function (CPDF) which characterizes the probability density of finding an object (e.g., a particle in a fluid) to within a certain distance of each other, with each of these two having a nearest neighbor to a fixed but otherwise arbitrary distance. This function describes special four-body configurations, but also contains contributions due to the so-called mutual nearest neighbor (two-body) and shared neighbor (three-body) configurations. The CPDF is introduced to improve a Helmholtz free energy method based on space partitions. We derive exact expressions of the CPDF and various associated quantities for randomly distributed, noninteracting points at Euclidean spaces of one, two, and three dimensions. Results may be of interest in many diverse scientific fields, from fluid physics to social and biological sciences. PMID:23004705
Vittorio Giovannetti; Simone Montangero; Rosario Fazio
2008-11-14
Tensor networks representations of many-body quantum systems can be described in terms of quantum channels. We focus on channels associated with the Multi-scale Entanglement Renormalization Ansatz (MERA) tensor network that has been recently introduced to efficiently describe critical systems. Our approach allows us to compute the MERA correspondent to the thermodynamic limit of a critical system introducing a transfer matrix formalism, and to relate the system critical exponents to the convergence rates of the associated channels.
Relativistic Path Integral as a Lattice-based Quantum Algorithm
Jeffrey Yepez
2005-01-01
We demonstrate the equivalence of two representations of many-body relativistic quantum mechanics: the quantum lattice-gas\\u000a method and the path integral method. The former serves as an efficient lattice-based quantum algorithm to simulate the space-time\\u000a dynamics of a system of Dirac particles.
A. Isar; A. Sandulescu; H. Scutaru; E. Stefanescu; W. Scheid
2004-11-26
The damping of the harmonic oscillator is studied in the framework of the Lindblad theory for open quantum systems. A generalization of the fundamental constraints on quantum mechanical diffusion coefficients which appear in the master equation for the damped quantum oscillator is presented; the Schr\\"odinger, Heisenberg and Weyl-Wigner-Moyal representations of the Lindblad equation are given explicitly. On the basis of these representations it is shown that various master equations for the damped quantum oscillator used in the literature are particular cases of the Lindblad equation and that not all of these equations are satisfying the constraints on quantum mechanical diffusion coefficients. The master equation is transformed into Fokker-Planck equations for quasiprobability distributions and a comparative study is made for the Glauber $P$ representation, the antinormal ordering $Q$ representation and the Wigner $W$ representation. The density matrix is represented via a generating function, which is obtained by solving a time-dependent linear partial differential equation derived from the master equation. The damped harmonic oscillator is applied for the description of the charge equilibration mode observed in deep inelastic reactions. For a system consisting of two harmonic oscillators the time dependence of expectation values, Wigner function and Weyl operator are obtained and discussed. In addition models for the damping of the angular momentum are studied. Using this theory to the quantum tunneling through the nuclear barrier, besides Gamow's transitions with energy conservation, additional transitions with energy loss, are found. When this theory is used to the resonant atom-field interaction, new optical equations describing the coupling through the environment are obtained.
NASA Astrophysics Data System (ADS)
Raghunathan, K.
1980-03-01
The relativistic ls coupling scheme is used to construct the ground state of many electron atoms, in particular, of S-state atoms with half filled shells. Some properties of the relativistic ls coupled (rls) ground state are discussed. The rls ground state is compared with that obtained from a multi-configurational approach. The suitability of the rls ground state for many body perturbation theory is discussed and it is seen to permit an appropriate adaptation of Bruckner-Goldstone perturbation expansion for relativistic theory. The high lights of our approach are: (1) the ls coupled basis of the theory permits the use of spin-orbit interaction as a perturbation even on a relativistic ground state and (2) the relativistic nature of the ground state enables the evaluation of the perturbative influence of Breit interaction on many electron wave functions. The rls formalism is tested by applying it to the quadrupole interaction in the ground state of 14 N atom. The relativistic formalism is fully exploited by evaluating the influence of Breit interaction explicitly. It is demonstrated that Breit interaction is crucial for an explanation of the experimental quadrupole interaction observed in this system.
Localization protected quantum order
NASA Astrophysics Data System (ADS)
Nandkishore, Rahul
2015-03-01
Many body localization occurs in isolated quantum systems, usually with strong disorder, and is marked by absence of dissipation, absence of thermal equilibration, and a memory of the initial conditions that survives in local observables for arbitrarily long times. The many body localized regime is a non-equilibrium, strongly disordered, non-self averaging regime that presents a new frontier for quantum statistical mechanics. In this talk, I point out that there exists a vast zoo of correlated many body localized states of matter, which may be classified using familiar notions of spontaneous symmetry breaking and topological order. I will point out that in the many body localized regime, spontaneous symmetry breaking can occur even at high energy densities in one dimensional systems, and topological order can occur even without a bulk gap. I will also discuss the phenomenology of imperfectly isolated many body localized systems, which are weakly coupled to a heat bath. I will conclude with a brief discussion of how these phenomena may best be detected in experiments. Collaborators: David Huse, S.L. Sondhi, Arijeet Pal, Vadim Oganesyan, A.C. Potter, Sarang Gopalakrishnan, S. Johri, R.N. Bhatt.
S. M. Giampaolo; B. C. Hiesmayr; F. Illuminati
2015-01-25
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.
Band alignment of semiconductors from density-functional theory and many-body perturbation theory
NASA Astrophysics Data System (ADS)
Hinuma, Yoyo; Grüneis, Andreas; Kresse, Georg; Oba, Fumiyasu
2014-10-01
The band lineup, or alignment, of semiconductors is investigated via first-principles calculations based on density functional theory (DFT) and many-body perturbation theory (MBPT). Twenty-one semiconductors including C, Si, and Ge in the diamond structure, BN, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe in the zinc-blende structure, and GaN and ZnO in the wurtzite structure are considered in view of their fundamental and technological importance. Band alignments are determined using the valence and conduction band offsets from heterointerface calculations, the ionization potential (IP) and electron affinity (EA) from surface calculations, and the valence band maximum and conduction band minimum relative to the branch point energy, or charge neutrality level, from bulk calculations. The performance of various approximations to DFT and MBPT, namely the Perdew-Burke-Ernzerhof (PBE) semilocal functional, the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, and the GW approximation with and without vertex corrections in the screened Coulomb interaction, is assessed using the GW?1 approximation as a reference, where first-order vertex corrections are included in the self-energy. The experimental IPs, EAs, and band offsets are well reproduced by GW?1 for most of the semiconductor surfaces and heterointerfaces considered in this study. The PBE and HSE functionals show sizable errors in the IPs and EAs, in particular for group II-VI semiconductors with wide band gaps, but are much better in the prediction of relative band positions or band offsets due to error cancellation. The performance of the GW approximation is almost on par with GW?1 as far as relative band positions are concerned. The band alignments based on average interfacial band offsets for all pairs of 17 semiconductors and branch point energies agree with explicitly calculated interfacial band offsets with small mean absolute errors of both ˜0.1eV, indicating a good overall transitivity of the band offsets. The alignment based on IPs from selected nonpolar surfaces performs comparably well in the prediction of band offsets at most of the considered interfaces. The maximum errors are, however, as large as 0.3, 0.4, and 0.7 eV for the alignments based on the average band offsets, branch point energies, and IPs, respectively. This margin of error should be taken into account when performing materials screening using these alignments.
Stationary States of Dissipative Quantum Systems
Vasily E. Tarasov
2011-07-29
In this Letter we consider stationary states of dissipative quantum systems. We discuss stationary states of dissipative quantum systems, which coincide with stationary states of Hamiltonian quantum systems. Dissipative quantum systems with pure stationary states of linear harmonic oscillator are suggested. We discuss bifurcations of stationary states for dissipative quantum systems which are quantum analogs of classical dynamical bifurcations.
Universal Single-Frequency Oscillations in a Quantum Impurity System After a Local Quench
Abolfazl Bayat; Sougato Bose; Henrik Johannesson; Pasquale Sodano
2015-05-17
Long-lived single-frequency oscillations in the local non-equilibrium dynamics of a quantum many-body system is an exceptional phenomenon. In fact, till now, it has never been observed, nor predicted, for the physically relevant case where a system is prepared to be quenched from one quantum phase to another. Here we show how the quench dynamics of the entanglement spectrum may reveal the emergence of such oscillations in a correlated quantum system with Kondo impurities. The oscillations we find are characterized by a single frequency. This frequency is universal, being independent of the amount of energy released by the local quench, and scales with the inverse system size. Importantly, the universal frequency manifests itself also in local observables, such as the spin-spin correlation function of the impurities.
NASA Astrophysics Data System (ADS)
Owusu, Alfred; Dougherty, R. W.; Gowri, G.; Das, T. P.; Andriessen, J.
1997-07-01
To enhance the current understanding of mechanisms contributing to magnetic hyperfine interactions in excited states of atomic systems, in particular, alkali-metal atom systems, the hyperfine fields in the excited 5 2S1/2-8 2S1/2 states of potassium and 8 2S1/2-12 2S1/2 states of francium atoms have been studied using the relativistic linked-cluster many-body perturbation procedure. The net theoretical values of the hyperfine fields for the excited states studied are in excellent agreement with available experimental data for both atoms. There is a significant decrease in importance of the correlation contribution in going from the ground state to the excited states, the correlation contributions as ratios of the direct contribution decreasing rapidly as one moves to the higher excited states. However, the contribution from the exchange core polarization (ECP) effect is nearly a constant fraction of the direct effect for all the excited states considered. Physical explanations are offered for the observed trends in the contributions from the different mechanisms. A comparison is made of the different contributing effects to the hyperfine fields in potassium and francium to those in the related system, rubidium, studied earlier. Extrapolating from our results to the highly excited states of alkali-metal atoms, referred to as the Rydberg states, it is concluded that in addition to the direct contribution from the excited valence electron to the hyperfine fields, a significant contribution is expected from the ECP effect arising from the influence of exchange interactions between electrons in the valence and core states.
Quantum simulations of one dimensional quantum systems
Rolando D. Somma
2015-03-21
We present several quantum algorithms for the simulation of quantum systems in one spatial dimension. First, we provide a method to simulate the evolution of the quantum harmonic oscillator (QHO) and compute scattering amplitudes using a discrete QHO. To achieve precision \\epsilon, it suffices to choose the dimension of the Hilbert space of the discrete system, N, proportional to N' and logarithmic in |t|/\\epsilon, where N' is the largest eigenvalue in the spectral decomposition of the initial state, and t is the evolution time. We then present a Trotter-Suzuki product formula to approximate the evolution. The number of terms in the product is subexponential, and the complexity of simulating the evolution on a quantum computer is O(|t| \\exp( \\gamma \\sqrt{\\log(N' |t|/\\epsilon)})), where \\gamma >0 is constant. Our results suggest a superpolynomial speedup. Next, we describe a quantum algorithm to prepare the ground state of the discrete QHO with complexity polynomial in \\log(1/\\epsilon) and \\log (N). Such a quantum algorithm may be of independent interest, as it gives a way to prepare states of Gaussian-like amplitudes. Other eigenstates can be prepared by evolving with a Hamiltonian that is a discrete version of the Jaynes-Cummings model, with complexity polynomial in \\log (N) and 1/\\epsilon. We then study a quantum system with a quartic potential and numerically show that the evolution operator can be approximated using the Trotter-Suzuki formula, where the number of terms scales as N^{q}, for q systems, and describe a quantum algorithm of complexity almost linear in N|t| and logarithmic in 1/\\epsilon. We discuss further applications of our results, in particular with regards to the fractional Fourier transform.
Herbert, John
of fragmentation methods in electronic structure theory" Ryan M. Richard and John M. Herbert Contents 1 ONIOM developments that extend previous approaches to higher orders in the many-body expansion (MBE). 1 ONIOM did not do so in the text. The number of layers is analogous to the number of layers in an ONIOM
Y. Grasselli; L. Lobry
1997-01-01
The sedimentation of a particle trapped between two rigid walls allow us to demonstrate the effect of many-body hydrodynamic effects arising in a confined geometry. A theoretical treatment of this problem is presented together with an experimental investigation of the sedimentation of a macroscopic particle by image analysis which allows us to directly obtain the trajectory of the particle. Theoretical
Equilibration of quantum chaotic systems
Quntao Zhuang; Biao Wu
2013-12-02
Quantum ergordic theorem for a large class of quantum systems was proved by von Neumann [Z. Phys. {\\bf 57}, 30 (1929)] and again by Reimann [Phys. Rev. Lett. {\\bf 101}, 190403 (2008)] in a more practical and well-defined form. However, it is not clear whether the theorem applies to quantum chaotic systems. With the rigorous proof still elusive, we illustrate and verify this theorem for quantum chaotic systems with examples. Our numerical results show that a quantum chaotic system with an initial low-entropy state will dynamically relax to a high-entropy state and reach equilibrium. The quantum equilibrium state reached after dynamical relaxation bears a remarkable resemblance to the classical micro-canonical ensemble. However, the fluctuations around equilibrium are distinct: the quantum fluctuations are exponential while the classical fluctuations are Gaussian.
Dynamic many-body theory: Multiparticle fluctuations and the dynamic structure of 4He
NASA Astrophysics Data System (ADS)
Campbell, C. E.; Krotscheck, E.; Lichtenegger, T.
2015-05-01
We present further progress in a systematic approach to the microscopic understanding of the dynamics of strongly interacting quantum fluids. Employing the concept of dynamic multiparticle fluctuations, we derive equations of motion for fluctuating n -body densities. We apply the theory to calculate the dynamic structure function of liquid 4He as a function of density and find, without any phenomenological input, overall excellent agreement with both experiments and, as far as available, simulation data.
Energy density matrix formalism for interacting quantum systems: a quantum Monte Carlo study
Krogel, Jaron T [ORNL] [ORNL; Kim, Jeongnim [ORNL] [ORNL; Reboredo, Fernando A [ORNL] [ORNL
2014-01-01
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.
Bereau, Tristan; von Lilienfeld, O Anatole
2015-01-01
Accurate predictions of van der Waals forces require faithful models of dispersion, permanent and induced multipole-moments, as well as penetration and repulsion. We introduce a universal combined physics- and data-driven model of dispersion and multipole-moment contributions, respectively. Atomic multipoles are estimated "on-the-fly" for any organic molecule in any conformation using a machine learning approach trained on quantum chemistry results for tens of thousands of atoms in varying chemical environments drawn from thousands of organic molecules. Globally neutral, cationic, and anionic molecular charge states can be treated with individual models. Dispersion interactions are included via recently-proposed classical many-body potentials. For nearly one thousand intermolecular dimers, this approximate van der Waals model is found to reach an accuracy similar to that of state-of-the-art force fields, while bypassing the need for parametrization. Estimates of cohesive energies for the benzene crystal confi...
Control of open quantum systems
Boulant, Nicolas
2005-01-01
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 ...
Many-body processes in atomic and molecular physics. Progress report
Chu, S.I.
1981-01-01
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.
Chesnel, J -Y; Lattouf, E; Tanis, J A; Huber, B A; Bene, E; Kovács, S T S; Herczku, P; Méry, A; Poully, J -C; Rangama, J; Sulik, B
2015-01-01
It is shown that negative ions are ejected from gas-phase water molecules when bombarded with positive ions at keV energies typical of solar-wind velocities. This finding is relevant for studies of planetary and cometary atmospheres, as well as for radiolysis and radiobiology. Emission of both H- and heavier (O- and OH-) anions, with a larger yield for H-, was observed in 6.6-keV 16O+ + H2O collisions. The ex-perimental setup allowed separate identification of anions formed in collisions with many-body dynamics from those created in hard, binary collisions. Most of the ani-ons are emitted with low kinetic energy due to many-body processes. Model calcu-lations show that both nucleus-nucleus interactions and electronic excitations con-tribute to the observed large anion emission yield.
NASA Astrophysics Data System (ADS)
Chesnel, J.-Y.; Juhász, Z.; Lattouf, E.; Tanis, J. A.; Huber, B. A.; Bene, E.; Kovács, S. T. S.; Herczku, P.; Méry, A.; Poully, J.-C.; Rangama, J.; Sulik, B.
2015-06-01
It is shown that negative ions are ejected from gas-phase water molecules when bombarded with positive ions at keV energies typical of solar-wind velocities. This finding is relevant for studies of planetary and cometary atmospheres, as well as for radiolysis and radiobiology. Emission of both H- and heavier (O- and O H- ) anions, with a larger yield for H-, was observed in 6.6 -keV 16O++H2O collisions. The experimental setup allowed separate identification of anions formed in collisions with many-body dynamics from those created in hard, binary collisions. Most of the anions are emitted with low kinetic energy due to many-body processes. Model calculations show that both nucleus-nucleus interactions and electronic excitations contribute to the observed large anion emission yield.
M. N. Huda; A. K. Ray
2003-01-01
The formalism of second-order many-body perturbation theory has been applied to investigate the electronic and geometric structures of neutral, cationic, and anionic Agn (n=5 9) clusters. Hay-Wadt relativistic effective core potentials replacing the 28 core electrons and a Gaussian basis set have been used. Full geometry optimizations of topologically different clusters and clusters belonging to different symmetry groups have been
M. N. Huda; A. K. Ray
2003-01-01
The formalism of second-order many-body perturbation theory has been applied to investigate the electronic and geometric structures of neutral, cationic, and anionic Ag{sub n} (n=5-9) clusters. Hay-Wadt relativistic effective core potentials replacing the 28 core electrons and a Gaussian basis set have been used. Full geometry optimizations of topologically different clusters and clusters belonging to different symmetry groups have been
Ning Gao; Wen-Sheng Lai
2006-01-01
The calculation of elastic constants of Ag\\/Pd superlattice thin films by molecular dynamics simulations with many-body potentials is presented. It reveals that the elastic constants C11 and C55 increase with decreasing modulation wavelength ? of the films, which is consistent with experiments. However, the change of C11 and C55 with ? is found to be around the values determined by
Many-body effects in molecular dynamics simulations of Na+(H20), and Cl-(H20), clusters
Perera, Lalith
,5,6,14) and Cl- (H,O), (n = 4,5,6,7,8,14). Two potential models were used in the simulations. In one model (TIP4P distribution function, enthalpy, and diffusion coefficient of pure water have been evaluated using the TIP4P by a nonadditive many-body potential model developed recently by Caldwell, Dang, and Kollman. " We also carried out
Dynamic control and probing of many-body decoherence in double-well Bose-Einstein condensates
NASA Astrophysics Data System (ADS)
Bar-Gill, Nir; Kurizki, Gershon; Oberthaler, Markus; Davidson, Nir
2009-11-01
We present an approach to dynamic decoherence control of finite-temperature Bose-Einstein condensates in a double-well potential. Due to the many-body interactions the standard “echo” control method becomes less effective. The approach described here takes advantage of the interaction-induced change of the spectrum, to obtain the optimal rate of ? flips of the relative phase between maximally distinguishable collective states. This method is particularly useful for probing and diagnosing the decoherence dynamics.
Anindya Biswas; Tapan Kumar Das
2008-01-01
An approximate many-body theory incorporating two-body correlations has been employed to calculate low-lying collective multipole frequencies in a Bose-Einstein condensate containing A bosons, for different values of the interaction parameter \\\\lambda=\\\\frac{Aa_{s}}{a_{ho}} . Significant difference from the variational estimate of the Gross-Pitaevskii equation has been found near the collapse region. This is attributed to two-body correlations and finite range attraction of
Classical command of quantum systems.
Reichardt, Ben W; Unger, Falk; Vazirani, Umesh
2013-04-25
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
Accurate double many-body expansion potential energy surface for the 2(1)A' state of N2O.
Li, Jing; Varandas, António J C
2014-08-28
An accurate double many-body expansion potential energy surface is reported for the 2(1)A' state of N2O. The new double many-body expansion (DMBE) form has been fitted to a wealth of ab initio points that have been calculated at the multi-reference configuration interaction level using the full-valence-complete-active-space wave function as reference and the cc-pVQZ basis set, and subsequently corrected semiempirically via double many-body expansion-scaled external correlation method to extrapolate the calculated energies to the limit of a complete basis set and, most importantly, the limit of an infinite configuration interaction expansion. The topographical features of the novel potential energy surface are then examined in detail and compared with corresponding attributes of other potential functions available in the literature. Exploratory trajectories have also been run on this DMBE form with the quasiclassical trajectory method, with the thermal rate constant so determined at room temperature significantly enhancing agreement with experimental data. PMID:25173014
NASA Astrophysics Data System (ADS)
Hermann, Jan; Scheffler, Matthias; Tkatchenko, Alexandre
2015-03-01
It is an ongoing challenge to develop an efficient method for van der Waals (vdW) non-local correlation within DFT which would be both accurate and broadly applicable. Current approaches can be loosely divided into the fragment-based ones, two-point density functionals and methods based on the density-density response function. The fragment-based models utilize parameters not derivable from the electron density. Two-point approaches are explicit density functionals, but difficult to generalize to include many-body correlations. Here, we show that these seemingly contrasting approaches can be unified within a single framework based on the adiabatic-connection formalism in the random-phase approximation. We use a local response-function model from the VV09 functional together with the many-body dispersion approach to create an atom-based model with no external parameters. We introduce a consistent correlation-functional-based coupling of the short- and long-range correlation energy. We show that this unification provides new insights into the different approaches, naturally deals with the partitioning of ionic and delocalized states and paves path towards self-consistent description of many-body vdW correlations.
Quantum technologies with hybrid systems.
Kurizki, Gershon; Bertet, Patrice; Kubo, Yuimaru; Mølmer, Klaus; Petrosyan, David; Rabl, Peter; Schmiedmayer, Jörg
2015-03-31
An extensively pursued current direction of research in physics aims at the development of practical technologies that exploit the effects of quantum mechanics. As part of this ongoing effort, devices for quantum information processing, secure communication, and high-precision sensing are being implemented with diverse systems, ranging from photons, atoms, and spins to mesoscopic superconducting and nanomechanical structures. Their physical properties make some of these systems better suited than others for specific tasks; thus, photons are well suited for transmitting quantum information, weakly interacting spins can serve as long-lived quantum memories, and superconducting elements can rapidly process information encoded in their quantum states. A central goal of the envisaged quantum technologies is to develop devices that can simultaneously perform several of these tasks, namely, reliably store, process, and transmit quantum information. Hybrid quantum systems composed of different physical components with complementary functionalities may provide precisely such multitasking capabilities. This article reviews some of the driving theoretical ideas and first experimental realizations of hybrid quantum systems and the opportunities and challenges they present and offers a glance at the near- and long-term perspectives of this fascinating and rapidly expanding field. PMID:25737558
Quantum Effects in Biological Systems
NASA Astrophysics Data System (ADS)
Roy, Sisir
2014-07-01
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.
STUDENT PAPER: Solving the Many-Body Polarization Problem on GPUs: Application to MOFs
NSDL National Science Digital Library
Brant Tudor
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 GPUÃ?Â?s 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.
A double-barrier heterostructure generator of terahertz phonons: many-body effects
Sergio S. Makler; I. Camps; José Weberszpil; Diana E. Tuyarot
2000-01-01
In this paper we study the generation of coherent terahertz phonons in a double-barrier heterostructure (DBH) under the influence of an external applied bias. The system is characterized by an energy difference between the two lowest levels in the well, which resonates with the optical phonon energy, producing a high rate of emission of longitudinal optical (LO) phonons. The strong
Nonlinear brain dynamics as macroscopic manifestation of underlying many-body field dynamics
Walter J. Freeman; Giuseppe Vitiello
2006-01-01
Neural activity patterns related to behavior occur at many scales in time and space from the atomic and molecular to the whole brain. Patterns form through interactions in both directions, so that the impact of transmitter molecule release can be analyzed to larger scales through synapses, dendrites, neurons, populations and brain systems to behavior, and control of that release can
Can high magnetic fields enhance many-body effects in organic conductors?
Ross H. McKenzie
1997-01-01
Conducting organic molecular crystals based on the BEDT-TTF and TMTSF molecules are novel low-dimensional electronic systems. They exhibit a subtle competition between metallic, superconducting, and density-wave phases. This competition is sensitive to anion type, temperature, pressure, uniaxial stress, and magnetic field. A general introduction will be given to these exciting materials with an emphasis on the different energy scales that
Classical equations for quantum systems
Murray Gell-Mann; James B. Hartle
1993-01-01
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
Decoherence in infinite quantum systems
Blanchard, Philippe; Hellmich, Mario [Faculty of Physics, University of Bielefeld, Universitaetsstr. 25, 33615 Bielefeld (Germany); Bundesamt fuer Strahlenschutz (Federal Office for Radiation Protection), Willy-Brandt-Strasse 5, 38226 Salzgitter (Germany)
2012-09-01
We review and discuss a notion of decoherence formulated in the algebraic framework of quantum physics. Besides presenting some sufficient conditions for the appearance of decoherence in the case of Markovian time evolutions we provide an overview over possible decoherence scenarios. The framework for decoherence we establish is sufficiently general to accommodate quantum systems with infinitely many degrees of freedom.
Many-body dynamic localization of strongly correlated electrons in ac-driven Hubbard lattices.
Longhi, S
2012-10-31
In the framework of the Hubbard model, it is shown that approximate dynamic localization for strongly correlated electrons hopping on a one-dimensional lattice and driven by a high-frequency sinusoidal field can be realized provided that periodic ? phase slips are impressed into the sinusoidal field. A possible experimental demonstration of the proposed driving scheme is presented for a photonic model system of the two-particle Hubbard model, based on light transport in a square waveguide lattice with a sinusoidally curved optical axis. PMID:23032640
Foundation of Fractional Langevin Equation: Harmonization of a Many Body Problem
Ludvig Lizana; Tobias Ambjornsson; Alessandro Taloni; Eli Barkai; Michael A. Lomholt
2010-04-28
In this study we derive a single-particle equation of motion, from first-principles, starting out with a microscopic description of a tracer particle in a one-dimensional many-particle system with a general two-body interaction potential. Using a new harmonization technique, we show that the resulting dynamical equation belongs to the class of fractional Langevin equations, a stochastic framework which has been proposed in a large body of works as a means of describing anomalous dynamics. Our work sheds light on the fundamental assumptions of these phenomenological models.
Iso-Vectorial interaction and many-body correlations in Nuclear Dynamics
NASA Astrophysics Data System (ADS)
Papa, M.
2014-05-01
Comparisons involving Nuclear Matter calculations based on the Constraint Molecular model CoMD and semi-classical Mean-Field approximation using an effective interactions of the Skyrme type are presented. The performed study shows that specific correlations induced by the iso-vectorial interaction investigated in the framework of the molecular dynamics approach strongly affect parameter values of the effective interaction to be used to reproduce the standard saturation properties of Nuclear Matter. Moreover an example showing consequences in the balance between reaction mechanisms in the 48Ca +48Ca at 25 MeV/nucleon system is also discussed.
Many-body stability implies a bound on the fine-structure constant
Lieb, E.H.; Yau, H.
1988-10-10
The Dirac equation for hydrogenic atoms has a well known instability when z..cap alpha..>1. A similar instability occurs for the ''relativistic Schroedinger equation'' with p/sup 1//2m replaced by (p/sup 2/c/sup 2/+m/sup 2/c/sup 4/)/sup 1/2/-mc/sup 2/ at z..cap alpha.. = 2/..pi... These instabilities concern only the product z..cap alpha.., but when the many-electron--many-nucleus problem is examined (in the relativstic Schroedinger theory) we find that a bound on ..cap alpha.. alone (independent of z) is then required for stability. If ..cap alpha..<(1/94 we find that stability occurs all the way up to the critical value z..cap alpha.. = 2/..pi.., whereas if ..cap alpha..>128/15..pi.. then the system is unstable for all values of z. Some implications of these findings are also discussed.
Comparison of low-order multireference many-body perturbation theories.
Chaudhuri, Rajat K; Freed, Karl F; Hose, Gabriel; Piecuch, Piotr; Kowalski, Karol; W?och, Marta; Chattopadhyay, Sudip; Mukherjee, Debashis; Rolik, Zoltán; Szabados, Agnes; Tóth, Gábor; Surján, Péter R
2005-04-01
Tests have been made to benchmark and assess the relative accuracies of low-order multireference perturbation theories as compared to coupled cluster (CC) and full configuration interaction (FCI) methods. Test calculations include the ground and some excited states of the Be, H(2), BeH(2), CH(2), and SiH(2) systems. Comparisons with FCI and CC calculations show that in most cases the effective valence shell Hamiltonian (H(v)) method is more accurate than other low-order multireference perturbation theories, although none of the perturbative methods is as accurate as the CC approximations. We also briefly discuss some of the basic differences among the multireference perturbation theories considered in this work. PMID:15847453
Comparison of low-order multireference many-body perturbation theories
NASA Astrophysics Data System (ADS)
Chaudhuri, Rajat K.; Freed, Karl F.; Hose, Gabriel; Piecuch, Piotr; Kowalski, Karol; W?och, Marta; Chattopadhyay, Sudip; Mukherjee, Debashis; Rolik, Zoltán; Szabados, Ágnes; Tóth, Gábor; Surján, Péter R.
2005-04-01
Tests have been made to benchmark and assess the relative accuracies of low-order multireference perturbation theories as compared to coupled cluster (CC) and full configuration interaction (FCI) methods. Test calculations include the ground and some excited states of the Be, H2,BeH2,CH2, and SiH2 systems. Comparisons with FCI and CC calculations show that in most cases the effective valence shell Hamiltonian (Hv) method is more accurate than other low-order multireference perturbation theories, although none of the perturbative methods is as accurate as the CC approximations. We also briefly discuss some of the basic differences among the multireference perturbation theories considered in this work.
Systematic reduction of sign errors in many-body calculations of atoms and molecules
Bajdich, Michal [ORNL; Tiago, Murilo L [ORNL; Hood, Randolph Q. [Lawrence Livermore National Laboratory (LLNL); Kent, Paul R [ORNL; Reboredo, Fernando A [ORNL
2010-01-01
The self-healing diffusion Monte Carlo algorithm (SHDMC) [Phys. Rev. B {\\bf 79} 195117 (2009), {\\it ibid.} {\\bf 80} 125110 (2009)] is applied to the calculation of ground state states of atoms and molecules. By direct comparison with accurate configuration interaction results we show that applying the SHDMC method to the oxygen atom leads to systematic convergence towards the exact ground state wave function. We present results for the small but challenging N$_2$ molecule, where results obtained via the energy minimization method and SHDMC are within experimental accuracy of 0.08 eV. Moreover, we demonstrate that the algorithm is robust enough to be used for the calculations of systems at least as large as C$_{20}$ starting from a set of random coefficients. SHDMC thus constitutes a practical method for systematically reducing the fermion sign problem in electronic structure calculations.
Finite temperature calculations for the bulk properties of strange star using a many-body approach
G. H. Bordbar; A. Poostforush; A. Zamani
2011-03-12
We have considered a hot strange star matter, just after the collapse of a supernova, as a composition of strange, up and down quarks to calculate the bulk properties of this system at finite temperature with the density dependent bag constant. To parameterize the density dependent bag constant, we use our results for the lowest order constrained variational (LOCV) calculations of asymmetric nuclear matter. Our calculations for the structure properties of the strange star at different temperatures indicate that its maximum mass decreases by increasing the temperature. We have also compared our results with those of a fixed value of the bag constant. It can be seen that the density dependent bag constant leads to higher values of the maximum mass and radius for the strange star.
NBODY Codes: Numerical Simulations of Many-body (N-body) Gravitational Interactions
NASA Astrophysics Data System (ADS)
Aarseth, Sverre J.
2011-02-01
I review the development of direct N-body codes at Cambridge over nearly 40 years, highlighting the main stepping stones. The first code (NBODY1) was based on the simple concepts of a force polynomial combined with individual time steps, where numerical problems due to close encounters were avoided by a softened potential. Fortuitously, the elegant Kustaanheimo-Stiefel two-body regularization soon permitted small star clusters to be studied (NBODY3). Subsequent extensions to unperturbed three-body and four-body regularization proved beneficial in dealing with multiple interactions. Investigations of larger systems became possible with the Ahmad-Cohen neighbor scheme which was used more than 20 years ago for expanding universe models of 4000 galaxies (NBODY2). Combining the neighbor scheme with the regularization procedures enabled more realistic star clusters to be considered (NBODY5). After a period of simulations with no apparent technical progress, chain regularization replaced the treatment of compact subsystems (NBODY3, NBODY5). More recently, the Hermite integration method provided a major advance and has been implemented on the special-purpose HARP computers (NBODY4) together with an alternative version for workstations and supercomputers (NBODY6). These codes also include a variety of algorithms for stellar evolution based on fast lookup functions. The treatment of primordial binaries contains efficient procedures for chaotic two-body motion as well as tidal circularization, and special attention is paid to hierarchical systems and their stability. This family of N-body codes constitutes a powerful tool for dynamical simulations which is freely available to the astronomical community, and the massive effort owes much to collaborators.
Nonequilibrium quantum dissipation in spin-fermion systems
NASA Astrophysics Data System (ADS)
Segal, Dvira; Reichman, David R.; Millis, Andrew J.
2007-11-01
Dissipative processes in nonequilibrium many-body systems are fundamentally different than their equilibrium counterparts. Such processes are of great importance for the understanding of relaxation in single-molecule devices. As a detailed case study, we investigate here a generic spin-fermion model, where a two-level system couples to two metallic leads with different chemical potentials. We present results for the spin relaxation rate in the nonadiabatic limit for an arbitrary coupling to the leads using both analytical and exact numerical methods. The nonequilibrium dynamics is reflected by an exponential relaxation at long times and via complex phase shifts, leading in some cases to an “antiorthogonality” effect. In the limit of strong system-lead coupling at zero temperature we demonstrate the onset of a Marcus-like Gaussian decay with voltage difference activation. This is analogous to the equilibrium spin-boson model, where at strong coupling and high temperatures, the spin excitation rate manifests temperature activated Gaussian behavior. We find that there is no simple linear relationship between the role of the temperature in the bosonic system and a voltage drop in a nonequilibrium electronic case. The two models also differ by the orthogonality-catastrophe factor existing in a fermionic system, which modifies the resulting line shapes. Implications for current characteristics are discussed. We demonstrate the violation of pairwise Coulomb gas behavior for strong coupling to the leads. The results presented in this paper form the basis of an exact, nonperturbative description of steady-state quantum dissipative systems.
Many body effects on the formal charge state of 3d - Transition Metal Doped BaTiO3
NASA Astrophysics Data System (ADS)
Mandal, Subhasish; Cohen, R. E.; Haule, K.
2015-03-01
Using density functional theory in combination with dynamical mean field theory in Mn doped BaTiO3, we find a different charge state and 3d - orbital occupations than obtained from either DFT or DFT+U. We find that the explicit treatment of many-body effects induced by the Hund's rule coupling in Mn shows a donor charge state of Mn2+, instead of usual acceptor charge state of Mn4+ as is found in both DFT and DFT+U. The differences in electron density reveal that charge transfer due to strong Hubbard interactions is not sufficient to describe the electron correlations in transition metal doped ferroelectrics.
NASA Astrophysics Data System (ADS)
Umari, P.; Petrenko, O.; Taioli, S.; De Souza, M. M.
2012-05-01
Electronic band gaps for optically allowed transitions are calculated for a series of semiconducting single-walled zig-zag carbon nanotubes of increasing diameter within the many-body perturbation theory GW method. The dependence of the evaluated gaps with respect to tube diameters is then compared with those found from previous experimental data for optical gaps combined with theoretical estimations of exciton binding energies. We find that our GW gaps confirm the behavior inferred from experiment. The relationship between the electronic gap and the diameter extrapolated from the GW values is also in excellent agreement with a direct measurement recently performed through scanning tunneling spectroscopy.
NASA Astrophysics Data System (ADS)
Katircio?lu, ?.; Erkoç, ?.
1991-08-01
The structural stability and energetics of As, Sb and Bi microclusters having 3-7 atoms have been investigated by using a recently developed empirical many-body potential energy fuction (PEF), which comprises two- and three-body atomic interactions. The PEF satisfies both bulk cohesive energy per atom and bulk structural stability exactly. It has been found that the most stable structures of As3, Sb3 and Sb4 microclusters are in linear form with D?h symmetry, Bi7 is in hexagonal pyramid form with D6v symmetry. The rest of the microclusters prefer the planar form.