On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Science.gov (United States)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Energy Technology Data Exchange (ETDEWEB)

Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

Nonequilibrium dynamics of polariton entanglement in a cluster of coupled traps

Energy Technology Data Exchange (ETDEWEB)

Quiroga, L [Departamento de Fisica, Universidad de Los Andes, A.A.4976, Bogota D.C. (Colombia); Tejedor, C, E-mail: lquiroga@uniandes.edu.c [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, Cantoblanco, E-28049, Madrid (Spain)

2009-05-01

We study in detail the generation and relaxation of quantum coherences (entanglement) in a system of coupled polariton traps. By exploiting a Lie algebraic based super-operator technique we provide an analytical exact solution for the Markovian dissipative dynamics (Master equation) of such system which is valid for arbitrary cluster size, polariton-polariton interaction strength, temperature and initial state. Based on the exact solution of the Master equation at T = OK, we discuss how dissipation affects the quantum entanglement dynamics of coupled polariton systems.

Quantum net dynamics

International Nuclear Information System (INIS)

Finkelstein, D.

1989-01-01

The quantum net unifies the basic principles of quantum theory and relativity in a quantum spacetime having no ultraviolet infinities, supporting the Dirac equation, and having the usual vacuum as a quantum condensation. A correspondence principle connects nets to Schwinger sources and further unifies the vertical structure of the theory, so that the functions of the many hierarchic levels of quantum field theory (predicate algebra, set theory, topology,hor-ellipsis, quantum dynamics) are served by one in quantum net dynamics

Hybrid cluster state proposal for a quantum game

International Nuclear Information System (INIS)

Paternostro, M; Tame, M S; Kim, M S

2005-01-01

We propose an experimental implementation of a quantum game algorithm in a hybrid scheme combining the quantum circuit approach and the cluster state model. An economical cluster configuration is suggested to embody a quantum version of the Prisoners' Dilemma. Our proposal is shown to be within the experimental state of the art and can be realized with existing technology.The effects of relevant experimental imperfections are also carefully examined

Quantum annealing for combinatorial clustering

Science.gov (United States)

Kumar, Vaibhaw; Bass, Gideon; Tomlin, Casey; Dulny, Joseph

2018-02-01

Clustering is a powerful machine learning technique that groups "similar" data points based on their characteristics. Many clustering algorithms work by approximating the minimization of an objective function, namely the sum of within-the-cluster distances between points. The straightforward approach involves examining all the possible assignments of points to each of the clusters. This approach guarantees the solution will be a global minimum; however, the number of possible assignments scales quickly with the number of data points and becomes computationally intractable even for very small datasets. In order to circumvent this issue, cost function minima are found using popular local search-based heuristic approaches such as k-means and hierarchical clustering. Due to their greedy nature, such techniques do not guarantee that a global minimum will be found and can lead to sub-optimal clustering assignments. Other classes of global search-based techniques, such as simulated annealing, tabu search, and genetic algorithms, may offer better quality results but can be too time-consuming to implement. In this work, we describe how quantum annealing can be used to carry out clustering. We map the clustering objective to a quadratic binary optimization problem and discuss two clustering algorithms which are then implemented on commercially available quantum annealing hardware, as well as on a purely classical solver "qbsolv." The first algorithm assigns N data points to K clusters, and the second one can be used to perform binary clustering in a hierarchical manner. We present our results in the form of benchmarks against well-known k-means clustering and discuss the advantages and disadvantages of the proposed techniques.

Engineering quantum dynamics

International Nuclear Information System (INIS)

Lloyd, Seth; Viola, Lorenza

2002-01-01

The ability to perform measurements on a quantum system, combined with the ability to feed back the measurement results via coherent control, allows one to control the system to follow any desired coherent or incoherent quantum dynamics. Such universal dynamical control can be achieved, in principle, through the repeated application of only two coherent control operations and a simple 'Yes-No' measurement. As a consequence, a quantum computer can simulate an arbitrary open-system dynamics using just one qubit more than required to simulate closed-system dynamics

Constructing quantum dynamics from mixed quantum-classical descriptions

International Nuclear Information System (INIS)

Barsegov, V.; Rossky, P.J.

2004-01-01

The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented

Blind Quantum Signature with Controlled Four-Particle Cluster States

Science.gov (United States)

Li, Wei; Shi, Jinjing; Shi, Ronghua; Guo, Ying

2017-08-01

A novel blind quantum signature scheme based on cluster states is introduced. Cluster states are a type of multi-qubit entangled states and it is more immune to decoherence than other entangled states. The controlled four-particle cluster states are created by acting controlled-Z gate on particles of four-particle cluster states. The presented scheme utilizes the above entangled states and simplifies the measurement basis to generate and verify the signature. Security analysis demonstrates that the scheme is unconditional secure. It can be employed to E-commerce systems in quantum scenario.

Quantum dynamics of quantum bits

International Nuclear Information System (INIS)

Nguyen, Bich Ha

2011-01-01

The theory of coherent oscillations of the matrix elements of the density matrix of the two-state system as a quantum bit is presented. Different calculation methods are elaborated in the case of a free quantum bit. Then the most appropriate methods are applied to the study of the density matrices of the quantum bits interacting with a classical pumping radiation field as well as with the quantum electromagnetic field in a single-mode microcavity. The theory of decoherence of a quantum bit in Markovian approximation is presented. The decoherence of a quantum bit interacting with monoenergetic photons in a microcavity is also discussed. The content of the present work can be considered as an introduction to the study of the quantum dynamics of quantum bits. (review)

Efficient construction of two-dimensional cluster states with probabilistic quantum gates

International Nuclear Information System (INIS)

Chen Qing; Cheng Jianhua; Wang Kelin; Du Jiangfeng

2006-01-01

We propose an efficient scheme for constructing arbitrary two-dimensional (2D) cluster states using probabilistic entangling quantum gates. In our scheme, the 2D cluster state is constructed with starlike basic units generated from 1D cluster chains. By applying parallel operations, the process of generating 2D (or higher-dimensional) cluster states is significantly accelerated, which provides an efficient way to implement realistic one-way quantum computers

Quantum picturalism for topological cluster-state computing

International Nuclear Information System (INIS)

Horsman, Clare

2011-01-01

Topological quantum computing (QC) is a way of allowing precise quantum computations to run on noisy and imperfect hardware. One implementation uses surface codes created by forming defects in a highly-entangled cluster state. Such a method of computing is a leading candidate for large-scale QC. However, there has been a lack of sufficiently powerful high-level languages to describe computing in this form without resorting to single-qubit operations, which quickly become prohibitively complex as the system size increases. In this paper, we apply the category-theoretic work of Abramsky and Coecke to the topological cluster-state model of QC to give a high-level graphical language that enables direct translation between quantum processes and physical patterns of measurement in a computer-a 'compiler language'. We give the equivalence between the graphical and topological information flows, and show the applicable rewrite algebra for this computing model. We show that this gives us a native graphical language for the design and analysis of topological quantum algorithms, and finish by discussing the possibilities for automating this process on a large scale.

Quantum dynamics of small H2 and D2 clusters in the large cage of structure II clathrate hydrate: Energetics, occupancy, and vibrationally averaged cluster structures

Science.gov (United States)

Sebastianelli, Francesco; Xu, Minzhong; Bačić, Zlatko

2008-12-01

We report diffusion Monte Carlo (DMC) calculations of the quantum translation-rotation (T-R) dynamics of one to five para-H2 (p-H2) and ortho-D2 (o-D2) molecules inside the large hexakaidecahedral (51264) cage of the structure II clathrate hydrate, which was taken to be rigid. These calculations provide a quantitative description of the size evolution of the ground-state properties, energetics, and the vibrationally averaged geometries, of small (p-H2)n and (o-D2)n clusters, n=1-5, in nanoconfinement. The zero-point energy (ZPE) of the T-R motions rises steeply with the cluster size, reaching 74% of the potential well depth for the caged (p-H2)4. At low temperatures, the rapid increase of the cluster ZPE as a function of n is the main factor that limits the occupancy of the large cage to at most four H2 or D2 molecules, in agreement with experiments. Our DMC results concerning the vibrationally averaged spatial distribution of four D2 molecules, their mean distance from the cage center, the D2-D2 separation, and the specific orientation and localization of the tetrahedral (D2)4 cluster relative to the framework of the large cage, agree very well with the low-temperature neutron diffraction experiments involving the large cage with the quadruple D2 occupancy.

Cluster-state quantum computing enhanced by high-fidelity generalized measurements.

Science.gov (United States)

Biggerstaff, D N; Kaltenbaek, R; Hamel, D R; Weihs, G; Rudolph, T; Resch, K J

2009-12-11

We introduce and implement a technique to extend the quantum computational power of cluster states by replacing some projective measurements with generalized quantum measurements (POVMs). As an experimental demonstration we fully realize an arbitrary three-qubit cluster computation by implementing a tunable linear-optical POVM, as well as fast active feedforward, on a two-qubit photonic cluster state. Over 206 different computations, the average output fidelity is 0.9832+/-0.0002; furthermore the error contribution from our POVM device and feedforward is only of O(10(-3)), less than some recent thresholds for fault-tolerant cluster computing.

Dynamical quantum phase transitions in extended transverse Ising models

Science.gov (United States)

Bhattacharjee, Sourav; Dutta, Amit

2018-04-01

We study the dynamical quantum phase transitions (DQPTs) manifested in the subsequent unitary dynamics of an extended Ising model with an additional three spin interactions following a sudden quench. Revisiting the equilibrium phase diagram of the model, where different quantum phases are characterized by different winding numbers, we show that in some situations the winding number may not change across a gap closing point in the energy spectrum. Although, usually there exists a one-to-one correspondence between the change in winding number and the number of critical time scales associated with DQPTs, we show that the extended nature of interactions may lead to unusual situations. Importantly, we show that in the limit of the cluster Ising model, three critical modes associated with DQPTs become degenerate, thereby leading to a single critical time scale for a given sector of Fisher zeros.

Quantum dynamical entropy revisited

International Nuclear Information System (INIS)

Hudetz, T.

1996-10-01

We define a new quantum dynamical entropy, which is a 'hybrid' of the closely related, physically oriented entropy introduced by Alicki and Fannes in 1994, and of the mathematically well-developed, single-argument entropy introduced by Connes, Narnhofer and Thirring in 1987. We show that this new quantum dynamical entropy has many properties similar to the ones of the Alicki-Fannes entropy, and also inherits some additional properties from the CNT entropy. In particular, the 'hybrid' entropy interpolates between the two different ways in which both the AF and the CNT entropy of the shift automorphism on the quantum spin chain agree with the usual quantum entropy density, resulting in even better agreement. Also, the new quantum dynamical entropy generalizes the classical dynamical entropy of Kolmogorov and Sinai in the same way as does the AF entropy. Finally, we estimate the 'hybrid' entropy both for the Powers-Price shift systems and for the noncommutative Arnold map on the irrational rotation C * -algebra, leaving some interesting open problems. (author)

Plasmon enhanced silver quantum cluster fluorescence for biochemical applications

DEFF Research Database (Denmark)

Bernard, S.; Kutter, J.P.; Mogensen, Klaus Bo

2014-01-01

Fluorescence microscopy of individual silver quantum clusters on the surface of silver nanoparticles reveals strong photoactivated emission under blue light excitation [1-4]. In this work, silver nanoparticles are produced by annealing silver thin films deposited on a glass substrate and silver q...... purposes. It was found, that in presence of a strong nucleophile (such as CN-), silver quantum clusters are dissolved into non-fluorescing AgCN complexes, resulting in a fast and observable decrease of the fluorescent signal....

Cluster dynamics transcending chemical dynamics toward nuclear fusion.

Science.gov (United States)

Heidenreich, Andreas; Jortner, Joshua; Last, Isidore

2006-07-11

Ultrafast cluster dynamics encompasses femtosecond nuclear dynamics, attosecond electron dynamics, and electron-nuclear dynamics in ultraintense laser fields (peak intensities 10(15)-10(20) W.cm(-2)). Extreme cluster multielectron ionization produces highly charged cluster ions, e.g., (C(4+)(D(+))(4))(n) and (D(+)I(22+))(n) at I(M) = 10(18) W.cm(-2), that undergo Coulomb explosion (CE) with the production of high-energy (5 keV to 1 MeV) ions, which can trigger nuclear reactions in an assembly of exploding clusters. The laser intensity and the cluster size dependence of the dynamics and energetics of CE of (D(2))(n), (HT)(n), (CD(4))(n), (DI)(n), (CD(3)I)(n), and (CH(3)I)(n) clusters were explored by electrostatic models and molecular dynamics simulations, quantifying energetic driving effects, and kinematic run-over effects. The optimization of table-top dd nuclear fusion driven by CE of deuterium containing heteroclusters is realized for light-heavy heteroclusters of the largest size, which allows for the prevalence of cluster vertical ionization at the highest intensity of the laser field. We demonstrate a 7-orders-of-magnitude enhancement of the yield of dd nuclear fusion driven by CE of light-heavy heteroclusters as compared with (D(2))(n) clusters of the same size. Prospective applications for the attainment of table-top nucleosynthesis reactions, e.g., (12)C(P,gamma)(13)N driven by CE of (CH(3)I)(n) clusters, were explored.

NMR study of spin dynamics in mesoscopic molecular clusters

Science.gov (United States)

Borsa, Ferdinando

1998-03-01

Recent published and umpublished work regarding the magnetic properties and the spin dynamics of molecules containing rings of 6,8 and 10 spins and of molecules containing clusters of 8 and 12 spins are reviewed. The 1H nuclear spin-lattice relaxation rate (NSLR) and the Muon Spin Resonance relaxation in Mn12 (A.Lascialfari, D.Gatteschi, F.Borsa, A.Shastri, Z.H.Jang and P.Carretta, Phys.Rev. B 1 January 1998) and Fe8 clusters are presented and discussed with regards to the high temperature spin dynamics of the Mn (Fe) magnetic moments and with regards to the low temperature superparamagnetic behavior. 1H and 63Cu NMR results are presented for two "quantum" spin rings : Cu6 and Cu8. The Cu6 is a weakly coupled (J/k=60K) ferromagnetic S=1/2 spin ring while Cu8 is a strongly coupled (J/k greater than 400K) antiferromagnetic S=1/2 spin ring.The dependence of the NSRL from temperature and from applied magnetic field are analyzed in terms of the calculated magnetic energy levels of the magnetic ring. The values of the energy gap between the ground state and the first excited state are extracted from the exponential decrease of the NSLR as the temperature is lowered. The results in the Cu ( S=1/2) "quantum" rings are compared with the results in "quantum" chains and ladders and with the results in "classical" Fe (S=5/2) antiferromagnetic rings : Fe6 and Fe10 (A.Lascialfari, D.Gatteschi, F.Borsa and A.Cornia , Phys.Rev. 55B,14341,1997) ).

Fractional Spin Fluctuations as a Precursor of Quantum Spin Liquids: Majorana Dynamical Mean-Field Study for the Kitaev Model.

Science.gov (United States)

Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi

2016-10-07

Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.

Quantum-dot cluster-state computing with encoded qubits

International Nuclear Information System (INIS)

Weinstein, Yaakov S.; Hellberg, C. Stephen; Levy, Jeremy

2005-01-01

A class of architectures is advanced for cluster-state quantum computation using quantum dots. These architectures include using single and multiple dots as logical qubits. Special attention is given to supercoherent qubits introduced by Bacon et al. [Phys. Rev. Lett. 87, 247902 (2001)] for which we discuss the effects of various errors and present a means of error protection

Fragmentation dynamics of ionized neon clusters (Ne(n), n=3-14) embedded in helium nanodroplets.

Science.gov (United States)

Bonhommeau, David; Halberstadt, Nadine; Viel, Alexandra

2006-01-14

We report a theoretical study of the nonadiabatic fragmentation dynamics of ionized neon clusters embedded in helium nanodroplets for cluster sizes up to n=14 atoms. The dynamics of the neon atoms is modeled using the molecular dynamics with quantum transitions method of Tully [J. Chem. Phys. 93, 1061 (1990)] with the nuclei treated classically and transitions between electronic states quantum mechanically. The potential-energy surfaces are derived from a diatomics-in-molecules model to which induced dipole-induced dipole interactions are added. The effect of the spin-orbit interaction is also discussed. The helium environment is modeled by a friction force acting on charged atoms whose speed exceeds the critical Landau velocity. The dependence of the fragment size distribution on the friction strength and on the initial nanodroplet size is investigated. By comparing with the available experimental data obtained for Ne3+ and Ne4+, a reasonable value for the friction coefficient, the only parameter of the model, is deduced. This value is then used to predict the effect of the helium environment on the dissociation dynamics of larger neon clusters, n=5-14. The results show stabilization of larger fragments than in the gas phase, but fragmentation is not completely caged. In addition, two types of dynamics are characterized for Ne4+: fast and explosive, therefore leaving no time for friction to cool down the process when dynamics starts on one of the highest electronic states, and slower, therefore leading to some stabilization by helium when it starts on one of the lowest electronic states.

Atomically precise cluster catalysis towards quantum controlled catalysts

International Nuclear Information System (INIS)

Watanabe, Yoshihide

2014-01-01

Catalysis of atomically precise clusters supported on a substrate is reviewed in relation to the type of reactions. The catalytic activity of supported clusters has generally been discussed in terms of electronic structure. Several lines of evidence have indicated that the electronic structure of clusters and the geometry of clusters on a support, including the accompanying cluster-support interaction, are strongly correlated with catalytic activity. The electronic states of small clusters would be easily affected by cluster–support interactions. Several studies have suggested that it is possible to tune the electronic structure through atomic control of the cluster size. It is promising to tune not only the number of cluster atoms, but also the hybridization between the electronic states of the adsorbed reactant molecules and clusters in order to realize a quantum-controlled catalyst. (review)

The Dynamical Invariant of Open Quantum System

OpenAIRE

Wu, S. L.; Zhang, X. Y.; Yi, X. X.

2015-01-01

The dynamical invariant, whose expectation value is constant, is generalized to open quantum system. The evolution equation of dynamical invariant (the dynamical invariant condition) is presented for Markovian dynamics. Different with the dynamical invariant for the closed quantum system, the evolution of the dynamical invariant for the open quantum system is no longer unitary, and the eigenvalues of it are time-dependent. Since any hermitian operator fulfilling dynamical invariant condition ...

Architectural design for a topological cluster state quantum computer

International Nuclear Information System (INIS)

Devitt, Simon J; Munro, William J; Nemoto, Kae; Fowler, Austin G; Stephens, Ashley M; Greentree, Andrew D; Hollenberg, Lloyd C L

2009-01-01

The development of a large scale quantum computer is a highly sought after goal of fundamental research and consequently a highly non-trivial problem. Scalability in quantum information processing is not just a problem of qubit manufacturing and control but it crucially depends on the ability to adapt advanced techniques in quantum information theory, such as error correction, to the experimental restrictions of assembling qubit arrays into the millions. In this paper, we introduce a feasible architectural design for large scale quantum computation in optical systems. We combine the recent developments in topological cluster state computation with the photonic module, a simple chip-based device that can be used as a fundamental building block for a large-scale computer. The integration of the topological cluster model with this comparatively simple operational element addresses many significant issues in scalable computing and leads to a promising modular architecture with complete integration of active error correction, exhibiting high fault-tolerant thresholds.

Dynamical quantum phase transitions: a review

Science.gov (United States)

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Dynamical quantum phase transitions: a review.

Science.gov (United States)

Heyl, Markus

2018-05-01

Quantum theory provides an extensive framework for the description of the equilibrium properties of quantum matter. Yet experiments in quantum simulators have now opened up a route towards the generation of quantum states beyond this equilibrium paradigm. While these states promise to show properties not constrained by equilibrium principles, such as the equal a priori probability of the microcanonical ensemble, identifying the general properties of nonequilibrium quantum dynamics remains a major challenge, especially in view of the lack of conventional concepts such as free energies. The theory of dynamical quantum phase transitions attempts to identify such general principles by lifting the concept of phase transitions to coherent quantum real-time evolution. This review provides a pedagogical introduction to this field. Starting from the general setting of nonequilibrium dynamics in closed quantum many-body systems, we give the definition of dynamical quantum phase transitions as phase transitions in time with physical quantities becoming nonanalytic at critical times. We summarize the achieved theoretical advances as well as the first experimental observations, and furthermore provide an outlook to major open questions as well as future directions of research.

Fault-tolerant measurement-based quantum computing with continuous-variable cluster states.

Science.gov (United States)

Menicucci, Nicolas C

2014-03-28

A long-standing open question about Gaussian continuous-variable cluster states is whether they enable fault-tolerant measurement-based quantum computation. The answer is yes. Initial squeezing in the cluster above a threshold value of 20.5 dB ensures that errors from finite squeezing acting on encoded qubits are below the fault-tolerance threshold of known qubit-based error-correcting codes. By concatenating with one of these codes and using ancilla-based error correction, fault-tolerant measurement-based quantum computation of theoretically indefinite length is possible with finitely squeezed cluster states.

Introduction to cluster dynamics

CERN Document Server

Reinhard, Paul-Gerhard

2008-01-01

Clusters as mesoscopic particles represent an intermediate state of matter between single atoms and solid material. The tendency to miniaturise technical objects requires knowledge about systems which contain a ""small"" number of atoms or molecules only. This is all the more true for dynamical aspects, particularly in relation to the qick development of laser technology and femtosecond spectroscopy. Here, for the first time is a highly qualitative introduction to cluster physics. With its emphasis on cluster dynamics, this will be vital to everyone involved in this interdisciplinary subje

Dynamics of quantum discord in a quantum critical environment

International Nuclear Information System (INIS)

Xi Zhengjun; Li Yongming; Lu Xiaoming; Sun Zhe

2011-01-01

We study the dynamics of quantum discord (QD) of two qubits independently coupled to an Ising spin chain in a transverse field, which exhibits a quantum phase transition. For this model, we drive the corresponding Kraus operators, obtain the analytic results of QD and compare the dynamics of QD with the dynamics of relative entropy of entanglement nearby the critical point. It is shown that the impact of the quantum criticality environment on QD can be concentrated in a very narrow region nearby the critical point, so it supplies an efficient way to detect the critical points. In the vicinity of the critical point, the evolution of QD is shown to be more complicated than that of entanglement. Furthermore, we find that separable states can also be used to reflect the quantum criticality of the environment.

On the cluster propagator in quantum field theory

International Nuclear Information System (INIS)

Mogilevskij, O.A.

1983-01-01

The problem is discussed whether it is possible to describe the multiple production processes within the framework of nonlocal quantum field theory. The interaction between the cluster field and the field of scalar particles is introduced. By means of summing up a definite class of Feynman diagrams the cluster propagator with the decreasing imaginary part containing the information about the hadron mass spectrum is obtained

Radiation from quantum weakly dynamical horizons in loop quantum gravity.

Science.gov (United States)

Pranzetti, Daniele

2012-07-06

We provide a statistical mechanical analysis of quantum horizons near equilibrium in the grand canonical ensemble. By matching the description of the nonequilibrium phase in terms of weakly dynamical horizons with a local statistical framework, we implement loop quantum gravity dynamics near the boundary. The resulting radiation process provides a quantum gravity description of the horizon evaporation. For large black holes, the spectrum we derive presents a discrete structure which could be potentially observable.

Logical entropy of quantum dynamical systems

Directory of Open Access Journals (Sweden)

Ebrahimzadeh Abolfazl

2016-01-01

Full Text Available This paper introduces the concepts of logical entropy and conditional logical entropy of hnite partitions on a quantum logic. Some of their ergodic properties are presented. Also logical entropy of a quantum dynamical system is dehned and ergodic properties of dynamical systems on a quantum logic are investigated. Finally, the version of Kolmogorov-Sinai theorem is proved.

Deterministic constant-temperature dynamics for dissipative quantum systems

International Nuclear Information System (INIS)

Sergi, Alessandro

2007-01-01

A novel method is introduced in order to treat the dissipative dynamics of quantum systems interacting with a bath of classical degrees of freedom. The method is based upon an extension of the Nose-Hoover chain (constant temperature) dynamics to quantum-classical systems. Both adiabatic and nonadiabatic numerical calculations on the relaxation dynamics of the spin-boson model show that the quantum-classical Nose-Hoover chain dynamics represents the thermal noise of the bath in an accurate and simple way. Numerical comparisons, both with the constant-energy calculation and with the quantum-classical Brownian motion treatment of the bath, show that the quantum-classical Nose-Hoover chain dynamics can be used to introduce dissipation in the evolution of a quantum subsystem even with just one degree of freedom for the bath. The algorithm can be computationally advantageous in modelling, within computer simulation, the dynamics of a quantum subsystem interacting with complex molecular environments. (fast track communication)

Colloquium: Non-Markovian dynamics in open quantum systems

Science.gov (United States)

Breuer, Heinz-Peter; Laine, Elsi-Mari; Piilo, Jyrki; Vacchini, Bassano

2016-04-01

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 Markovian stochastic process, the interaction of an open quantum system with a noisy environment is often modeled phenomenologically by means of a dynamical semigroup with a corresponding time-independent generator in Lindblad form, which describes a memoryless dynamics of the open system typically 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, correlations, and entanglement. Here recent theoretical 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 quantum memory effects. The general theory is illustrated by a series of physical 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 Colloquium further explores the various physical sources of non-Markovian quantum dynamics, such as structured environmental 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 addressing the detection, quantification, and control of

Quantum versus classical hyperfine-induced dynamics in a quantum dota)

Science.gov (United States)

Coish, W. A.; Loss, Daniel; Yuzbashyan, E. A.; Altshuler, B. L.

2007-04-01

In this article we analyze spin dynamics for electrons confined to semiconductor quantum dots due to the contact hyperfine interaction. We compare mean-field (classical) evolution of an electron spin in the presence of a nuclear field with the exact quantum evolution for the special case of uniform hyperfine coupling constants. We find that (in this special case) the zero-magnetic-field dynamics due to the mean-field approximation and quantum evolution are similar. However, in a finite magnetic field, the quantum and classical solutions agree only up to a certain time scale t <τc, after which they differ markedly.

Zeno dynamics in quantum statistical mechanics

International Nuclear Information System (INIS)

Schmidt, Andreas U

2003-01-01

We study the quantum Zeno effect in quantum statistical mechanics within the operator algebraic framework. We formulate a condition for the appearance of the effect in W*-dynamical systems, in terms of the short-time behaviour of the dynamics. Examples of quantum spin systems show that this condition can be effectively applied to quantum statistical mechanical models. Furthermore, we derive an explicit form of the Zeno generator, and use it to construct Gibbs equilibrium states for the Zeno dynamics. As a concrete example, we consider the X-Y model, for which we show that a frequent measurement at a microscopic level, e.g. a single lattice site, can produce a macroscopic effect in changing the global equilibrium

Quantum dynamics modeled by interacting trajectories

Science.gov (United States)

Cruz-Rodríguez, L.; Uranga-Piña, L.; Martínez-Mesa, A.; Meier, C.

2018-03-01

We present quantum dynamical simulations based on the propagation of interacting trajectories where the effect of the quantum potential is mimicked by effective pseudo-particle interactions. The method is applied to several quantum systems, both for bound and scattering problems. For the bound systems, the quantum ground state density and zero point energy are shown to be perfectly obtained by the interacting trajectories. In the case of time-dependent quantum scattering, the Eckart barrier and uphill ramp are considered, with transmission coefficients in very good agreement with standard quantum calculations. Finally, we show that via wave function synthesis along the trajectories, correlation functions and energy spectra can be obtained based on the dynamics of interacting trajectories.

Nuclear quantum effects on the structure and the dynamics of [H2O]8 at low temperatures

International Nuclear Information System (INIS)

Videla, Pablo E.; Rossky, Peter J.; Laria, D.

2013-01-01

We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the characteristics of nuclear position fluctuations, including explicit incorporation of quantum effects, for the energetically low lying isomers of the prototype cluster [H 2 O] 8 at T = 50 K and at 150 K. Our results reveal that tunneling and zero-point energy effects lead to sensible increments in the magnitudes of the fluctuations of intra and intermolecular distances. The degree of proton spatial delocalization is found to map logically with the hydrogen-bond connectivity pattern of the cluster. Dangling hydrogen bonds exhibit the largest extent of spatial delocalization and participate in shorter intramolecular O-H bonds. Combined effects from quantum and polarization fluctuations on the resulting individual dipole moments are also examined. From the dynamical side, we analyze the characteristics of the infrared absorption spectrum. The incorporation of nuclear quantum fluctuations promotes red shifts and sensible broadening relative to the classical profile, bringing the simulation results in much more satisfactory agreement with direct experimental information in the mid and high frequency range of the stretching band. While RPMD predictions overestimate the peak position of the low frequency shoulder, the overall agreement with that reported using an accurate, parameterized, many-body potential is reasonable, and far superior to that one obtains by implementing a partially adiabatic centroid molecular dynamics approach. Quantum effects on the collective dynamics, as reported by instantaneous normal modes, are also discussed

Control of entanglement transitions in quantum spin clusters

Science.gov (United States)

Irons, Hannah R.; Quintanilla, Jorge; Perring, Toby G.; Amico, Luigi; Aeppli, Gabriel

2017-12-01

Quantum spin clusters provide a platform for the experimental study of many-body entanglement. Here we address a simple model of a single-molecule nanomagnet featuring N interacting spins in a transverse field. The field can control an entanglement transition (ET). We calculate the magnetization, low-energy gap, and neutron-scattering cross section and find that the ET has distinct signatures, detectable at temperatures as high as 5% of the interaction strength. The signatures are stronger for smaller clusters.

Cluster Dynamics: Laying the Foundation for Tailoring the Design of Cluster ASSE

Science.gov (United States)

2016-02-25

AFRL-AFOSR-VA-TR-2016-0081 CLUSTER DYNAMICS: LAYING THE FOUNDATION FOR TAILORING THE DESIGN OF CLUSTER ASSE Albert Castleman PENNSYLVANIA STATE...15-10-2015 4. TITLE AND SUBTITLE CLUSTER DYNAMICS: LAYING THE FOUNDATION FOR TAILORING THE DESIGN OF CLUSTER ASSEMBLED NANOSCALE MATERIALS 5a... clusters as the building blocks of new materials with tailored properties that are beneficial to the AFOSR. Our continuing program is composed of two

Exploring the Internal Dynamics of Globular Clusters

Science.gov (United States)

Watkins, Laura L.; van der Marel, Roeland; Bellini, Andrea; Luetzgendorf, Nora; HSTPROMO Collaboration

2018-01-01

Exploring the Internal Dynamics of Globular ClustersThe formation histories and structural properties of globular clusters are imprinted on their internal dynamics. Energy equipartition results in velocity differences for stars of different mass, and leads to mass segregation, which results in different spatial distributions for stars of different mass. Intermediate-mass black holes significantly increase the velocity dispersions at the centres of clusters. By combining accurate measurements of their internal kinematics with state-of-the-art dynamical models, we can characterise both the velocity dispersion and mass profiles of clusters, tease apart the different effects, and understand how clusters may have formed and evolved.Using proper motions from the Hubble Space Telescope Proper Motion (HSTPROMO) Collaboration for a set of 22 Milky Way globular clusters, and our discrete dynamical modelling techniques designed to work with large, high-quality datasets, we are studying a variety of internal cluster properties. We will present the results of theoretical work on simulated clusters that demonstrates the efficacy of our approach, and preliminary results from application to real clusters.

Structure and dynamics of the uranyl tricarbonate complex in aqueous solution: insights from quantum mechanical charge field molecular dynamics.

Science.gov (United States)

Tirler, Andreas O; Hofer, Thomas S

2014-11-13

This investigation presents the characterization of structural and dynamical properties of uranyl tricarbonate in aqueous solution employing an extended hybrid quantum mechanical/molecular mechanical (QM/MM) approach. It is shown that the inclusion of explicit solvent molecules in the quantum chemical treatment is essential to mimic the complex interaction occurring in an aqueous environment. Thus, in contrast to gas phase cluster calculations on a quantum chemical level proposing a 6-fold coordination of the three carbonates, the QMCF MD simulation proposes a 5-fold coordination. An extensive comparison of the simulation results to structural and dynamical data available in the literature was found to be in excellent agreement. Furthermore, this work is the first theoretical study on a quantum chemical level of theory able to observe the conversion of carbonate (CO₃²⁻) to bicarbonate (HCO₃⁻) in the equatorial coordination sphere of the uranyl ion. From a comparison of the free energy ΔG values for the unprotonated educt [UO₂(CO₃)₃]⁴⁻ and the protonated [UO₂(CO₃)₂(HCO₃)]³⁻, it could be concluded that the reaction equilibrium is strongly shifted toward the product state confirming the benignity for the observed protonation reaction. Structural properties and the three-dimensional arrangement of carbonate ligands were analyzed via pair-, three-body, and angular distributions, the dynamical properties were evaluated by hydrogen-bond correlation functions and vibrational power spectra.

PERBANDINGAN QUANTUM CLUSTERING DAN SUPPORT VECTOR CLUSTERING UNTUK DATA MICROARRAY EXPRESSION YEAST CELL DALAM RUANG SINGULAR VALUE DECOMPOSITION (SVD)

OpenAIRE

., Riwinoto

2013-01-01

Sekarang ini, metode clustering telah diimplementasikan dalam riset DNA. Data dari DNA didapat melalui teknik microarray. Dengan menggunakan metode teknik SVD, dimensi data dikurangi sehingga mempermudah proses komputasi. Dalam paper ini, ditampilkan hasil clustering tanpa pengarahan terhadap gen-gen dari data bakteri ragi dengan menggunakan metode quantum clustering. Sebagai pembanding, dilakukan juga clustering menggunakan metoda Support Vector Clustering. Selain itu juga ditampilkan data h...

Implementing quantum information splitting using a five-partite cluster state in cavity QED

International Nuclear Information System (INIS)

Ye Liu; Song Qingmin; Li Aixia

2010-01-01

We propose an explicit scheme for splitting up quantum information into parts using five-atom cluster states in cavity quantum electrodynamics (QED). It is found that the quantum information splitting of an arbitrary two-atomic state can be realized by using the five-atom cluster state. During the process, the cavity fields are excited only virtually. The scheme is insensitive to cavity decay. Therefore, the scheme can be experimentally realized using a range of current cavity QED techniques. The schemes considered here are also secure against certain eavesdropping attacks.

Dynamics of a quantum phase transition

International Nuclear Information System (INIS)

Zurek, W.H.

2005-01-01

We present two approaches to the non-equilibrium dynamics of a quench-induced phase transition in quantum Ising model. First approach retraces steps of the standard calculation to thermodynamic second order phase transitions in the quantum setting. The second calculation is purely quantum, based on the Landau-Zener formula for transition probabilities in processes that involve avoided level crossings. We show that the two approaches yield compatible results for the scaling of the defect density with the quench rate. We exhibit similarities between them, and comment on the insights they give into dynamics of quantum phase transitions. (author)

Integrability and nonintegrability of quantum systems. II. Dynamics in quantum phase space

Science.gov (United States)

Zhang, Wei-Min; Feng, Da Hsuan; Yuan, Jian-Min

1990-12-01

Based on the concepts of integrability and nonintegrability of a quantum system presented in a previous paper [Zhang, Feng, Yuan, and Wang, Phys. Rev. A 40, 438 (1989)], a realization of the dynamics in the quantum phase space is now presented. For a quantum system with dynamical group scrG and in one of its unitary irreducible-representation carrier spaces gerhΛ, the quantum phase space is a 2MΛ-dimensional topological space, where MΛ is the quantum-dynamical degrees of freedom. This quantum phase space is isomorphic to a coset space scrG/scrH via the unitary exponential mapping of the elementary excitation operator subspace of scrg (algebra of scrG), where scrH (⊂scrG) is the maximal stability subgroup of a fixed state in gerhΛ. The phase-space representation of the system is realized on scrG/scrH, and its classical analogy can be obtained naturally. It is also shown that there is consistency between quantum and classical integrability. Finally, a general algorithm for seeking the manifestation of ``quantum chaos'' via the classical analogy is provided. Illustrations of this formulation in several important quantum systems are presented.

Thermal quantum time-correlation functions from classical-like dynamics

Science.gov (United States)

Hele, Timothy J. H.

2017-07-01

Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first principles. Since the exact quantum solution scales exponentially with system size, there has been considerable effort in formulating reliable linear-scaling methods involving exact quantum statistics and approximate quantum dynamics modelled with classical-like trajectories. Here, we review recent progress in the field with the development of methods including centroid molecular dynamics , ring polymer molecular dynamics (RPMD) and thermostatted RPMD (TRPMD). We show how these methods have recently been obtained from 'Matsubara dynamics', a form of semiclassical dynamics which conserves the quantum Boltzmann distribution. We also apply the Matsubara formalism to reaction rate theory, rederiving t → 0+ quantum transition-state theory (QTST) and showing that Matsubara-TST, like RPMD-TST, is equivalent to QTST. We end by surveying areas for future progress.

Multiple quantum spin dynamics of entanglement

International Nuclear Information System (INIS)

Doronin, Serge I.

2003-01-01

The dynamics of entanglement is investigated on the basis of exactly solvable models of multiple quantum (MQ) NMR spin dynamics. It is shown that the time evolution of MQ coherences of systems of coupled nuclear spins in solids is directly connected with dynamics of the quantum entanglement. We studied analytically the dynamics of entangled states for two- and three-spin systems coupled by the dipole-dipole interaction. In this case the dynamics of the quantum entanglement is uniquely determined by the time evolution of MQ coherences of the second order. The real part of the density matrix describing MQ dynamics in solids is responsible for MQ coherences of the zeroth order while its imaginary part is responsible for the second order. Thus, one can conclude that the dynamics of the entanglement is connected with transitions from the real part of the density matrix to the imaginary one, and vice versa. A pure state which generalizes the Greenberger-Horne-Zeilinger (GHZ) and W states is found. Different measures of the entanglement of this state are analyzed for tripartite systems

Quantum speed limits in open system dynamics.

Science.gov (United States)

del Campo, A; Egusquiza, I L; Plenio, M B; Huelga, S F

2013-02-01

Bounds to the speed of evolution of a quantum system are of fundamental interest in quantum metrology, quantum chemical dynamics, and quantum computation. We derive a time-energy uncertainty relation for open quantum systems undergoing a general, completely positive, and trace preserving evolution which provides a bound to the quantum speed limit. When the evolution is of the Lindblad form, the bound is analogous to the Mandelstam-Tamm relation which applies in the unitary case, with the role of the Hamiltonian being played by the adjoint of the generator of the dynamical semigroup. The utility of the new bound is exemplified in different scenarios, ranging from the estimation of the passage time to the determination of precision limits for quantum metrology in the presence of dephasing noise.

Quantum geometry in dynamical Regge calculus

International Nuclear Information System (INIS)

Hagura, Hiroyuki

2002-01-01

We study geometric properties of dynamical Regge calculus which is a hybridization of dynamical triangulation and quantum Regge calculus. Lattice diffeomorphisms are generated by certain elementary moves on a simplicial lattice in the hybrid model. At the semiclassical level, we discuss a possibility that the lattice diffeomorphisms give a simple explanation for the Bekenstein-Hawking entropy of a black hole. At the quantum level, numerical calculations of 3D pure gravity show that a fractal structure of the hybrid model is the same as that of dynamical triangulation in the strong-coupling phase. In the weak-coupling phase, on the other hand, space-time becomes a spiky configuration, which often occurs in quantum Regge calculus

Quantum-like model of unconscious–conscious dynamics

Science.gov (United States)

Khrennikov, Andrei

2015-01-01

We present a quantum-like model of sensation–perception dynamics (originated in Helmholtz theory of unconscious inference) based on the theory of quantum apparatuses and instruments. We illustrate our approach with the model of bistable perception of a particular ambiguous figure, the Schröder stair. This is a concrete model for unconscious and conscious processing of information and their interaction. The starting point of our quantum-like journey was the observation that perception dynamics is essentially contextual which implies impossibility of (straightforward) embedding of experimental statistical data in the classical (Kolmogorov, 1933) framework of probability theory. This motivates application of nonclassical probabilistic schemes. And the quantum formalism provides a variety of the well-approved and mathematically elegant probabilistic schemes to handle results of measurements. The theory of quantum apparatuses and instruments is the most general quantum scheme describing measurements and it is natural to explore it to model the sensation–perception dynamics. In particular, this theory provides the scheme of indirect quantum measurements which we apply to model unconscious inference leading to transition from sensations to perceptions. PMID:26283979

Quantum dynamics simulation of a small quantum system embedded in a classical environment

International Nuclear Information System (INIS)

Berendsen, H.J.C.; Mavri, J.; Mavri, J.

1996-01-01

The authors wish to consider quantum-dynamical processes that are not restricted to motion on a ground state Born-Oppenheimer surface, but may involve transitions between states. The authors interest is in such processes occurring in a complex environment that modulates the quantum process and interacts with it. In a system containing thousands degrees of freedom, the essential quantum behaviour is generally restricted to a small subsystem containing only a few degrees of freedom, while the environment can be treated classically. The challenge is threefold: 1) to treat the quantum subsystem correctly in a quantum-dynamical sense, 2) to treat the environment correctly in a classical dynamical sense, 3) to couple both systems in such a way that errors in the average or long-term behaviour are minimized. After an exposition of the theory, an insight into quantum-dynamical behaviour by using pictorial analogue, valid for a simple two-level system is given. Then, the authors give a short survey of applications related to collision processes involving quantum levels of one particle, and to proton transfer processes along hydrogen bonds in complex environments. Finally, they conclude with some general remarks on the validity of their approach. (N.T.)

Dynamics in the quantum/classical limit based on selective use of the quantum potential

International Nuclear Information System (INIS)

Garashchuk, Sophya; Dell’Angelo, David; Rassolov, Vitaly A.

2014-01-01

A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction

Dynamics in the quantum/classical limit based on selective use of the quantum potential

Energy Technology Data Exchange (ETDEWEB)

Garashchuk, Sophya, E-mail: garashchuk@sc.edu; Dell’Angelo, David; Rassolov, Vitaly A. [Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208 (United States)

2014-12-21

A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction.

Controllable Subspaces of Open Quantum Dynamical Systems

International Nuclear Information System (INIS)

Zhang Ming; Gong Erling; Xie Hongwei; Hu Dewen; Dai Hongyi

2008-01-01

This paper discusses the concept of controllable subspace for open quantum dynamical systems. It is constructively demonstrated that combining structural features of decoherence-free subspaces with the ability to perform open-loop coherent control on open quantum systems will allow decoherence-free subspaces to be controllable. This is in contrast to the observation that open quantum dynamical systems are not open-loop controllable. To a certain extent, this paper gives an alternative control theoretical interpretation on why decoherence-free subspaces can be useful for quantum computation.

Nuclear quantum effects on the structure and the dynamics of [H{sub 2}O]{sub 8} at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Videla, Pablo E. [Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires (Argentina); Rossky, Peter J. [Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712-0165 (United States); Laria, D., E-mail: dhlaria@cnea.gov.ar [Departamento de Química Inorgánica Analítica y Química-Física e INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón II, 1428 Buenos Aires (Argentina); Departamento de Física de la Materia Condensada, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429 Buenos Aires (Argentina)

2013-11-07

We use ring-polymer-molecular-dynamics (RPMD) techniques and the semi-empirical q-TIP4P/F water model to investigate the relationship between hydrogen bond connectivity and the characteristics of nuclear position fluctuations, including explicit incorporation of quantum effects, for the energetically low lying isomers of the prototype cluster [H{sub 2}O]{sub 8} at T = 50 K and at 150 K. Our results reveal that tunneling and zero-point energy effects lead to sensible increments in the magnitudes of the fluctuations of intra and intermolecular distances. The degree of proton spatial delocalization is found to map logically with the hydrogen-bond connectivity pattern of the cluster. Dangling hydrogen bonds exhibit the largest extent of spatial delocalization and participate in shorter intramolecular O-H bonds. Combined effects from quantum and polarization fluctuations on the resulting individual dipole moments are also examined. From the dynamical side, we analyze the characteristics of the infrared absorption spectrum. The incorporation of nuclear quantum fluctuations promotes red shifts and sensible broadening relative to the classical profile, bringing the simulation results in much more satisfactory agreement with direct experimental information in the mid and high frequency range of the stretching band. While RPMD predictions overestimate the peak position of the low frequency shoulder, the overall agreement with that reported using an accurate, parameterized, many-body potential is reasonable, and far superior to that one obtains by implementing a partially adiabatic centroid molecular dynamics approach. Quantum effects on the collective dynamics, as reported by instantaneous normal modes, are also discussed.

Electron localization in water clusters

International Nuclear Information System (INIS)

Landman, U.; Barnett, R.N.; Cleveland, C.L.; Jortner, J.

1987-01-01

Electron attachment to water clusters was explored by the quantum path integral molecular dynamics method, demonstrating that the energetically favored localization mode involves a surface state of the excess electron, rather than the precursor of the hydrated electron. The cluster size dependence, the energetics and the charge distribution of these novel electron-cluster surface states are explored. 20 refs., 2 figs., 1 tab

Combinatorial Clustering Algorithm of Quantum-Behaved Particle Swarm Optimization and Cloud Model

Directory of Open Access Journals (Sweden)

Mi-Yuan Shan

2013-01-01

Full Text Available We propose a combinatorial clustering algorithm of cloud model and quantum-behaved particle swarm optimization (COCQPSO to solve the stochastic problem. The algorithm employs a novel probability model as well as a permutation-based local search method. We are setting the parameters of COCQPSO based on the design of experiment. In the comprehensive computational study, we scrutinize the performance of COCQPSO on a set of widely used benchmark instances. By benchmarking combinatorial clustering algorithm with state-of-the-art algorithms, we can show that its performance compares very favorably. The fuzzy combinatorial optimization algorithm of cloud model and quantum-behaved particle swarm optimization (FCOCQPSO in vague sets (IVSs is more expressive than the other fuzzy sets. Finally, numerical examples show the clustering effectiveness of COCQPSO and FCOCQPSO clustering algorithms which are extremely remarkable.

Recent developments of the quantum chemical cluster approach for modeling enzyme reactions.

Science.gov (United States)

Siegbahn, Per E M; Himo, Fahmi

2009-06-01

The quantum chemical cluster approach for modeling enzyme reactions is reviewed. Recent applications have used cluster models much larger than before which have given new modeling insights. One important and rather surprising feature is the fast convergence with cluster size of the energetics of the reactions. Even for reactions with significant charge separation it has in some cases been possible to obtain full convergence in the sense that dielectric cavity effects from outside the cluster do not contribute to any significant extent. Direct comparisons between quantum mechanics (QM)-only and QM/molecular mechanics (MM) calculations for quite large clusters in a case where the results differ significantly have shown that care has to be taken when using the QM/MM approach where there is strong charge polarization. Insights from the methods used, generally hybrid density functional methods, have also led to possibilities to give reasonable error limits for the results. Examples are finally given from the most extensive study using the cluster model, the one of oxygen formation at the oxygen-evolving complex in photosystem II.

Quantum Dynamics in Biological Systems

Science.gov (United States)

Shim, Sangwoo

In the first part of this dissertation, recent efforts to understand quantum mechanical effects in biological systems are discussed. Especially, long-lived quantum coherences observed during the electronic energy transfer process in the Fenna-Matthews-Olson complex at physiological condition are studied extensively using theories of open quantum systems. In addition to the usual master equation based approaches, the effect of the protein structure is investigated in atomistic detail through the combined application of quantum chemistry and molecular dynamics simulations. To evaluate the thermalized reduced density matrix, a path-integral Monte Carlo method with a novel importance sampling approach is developed for excitons coupled to an arbitrary phonon bath at a finite temperature. In the second part of the thesis, simulations of molecular systems and applications to vibrational spectra are discussed. First, the quantum dynamics of a molecule is simulated by combining semiclassical initial value representation and density funcitonal theory with analytic derivatives. A computationally-tractable approximation to the sum-of-states formalism of Raman spectra is subsequently discussed.

Dynamical quantum phase transitions in the quantum Potts chain

NARCIS (Netherlands)

Karrasch, C.; Schuricht, D.|info:eu-repo/dai/nl/369284690

2017-01-01

We analyze the dynamics of the return amplitude following a sudden quench in the three-state quantum Potts chain. For quenches crossing the quantum critical point from the paramagnetic to the ferromagnetic phase, the corresponding rate function is non-analytic at critical times and behaves linearly

Langevin formulation of quantum dynamics

International Nuclear Information System (INIS)

Roncadelli, M.

1989-03-01

We first show that nonrelativistic quantum mechanics formulated at imaginary-(h/2 π) can formally be viewed as the Fokker-Planck description of a frictionless brownian motion, which occurs (in general) in an absorbing medium. We next offer a new formulation of quantum mechanics, which is basically the Langevin treatment of this brownian motion. Explicitly, we derive a noise-average representation for the transition probability W(X'',t''|X',t'), in terms of the solutions to a Langevin equation with a Gaussian white-noise. Upon analytic continuation back to real-(h/2 π),W(X'',t''|X',t') becomes the propagator of the original Schroedinger equation. Our approach allows for a straightforward application to quantum dynamical problems of the mathematical techniques of classical stochastic processes. Moreover, computer simulations of quantum mechanical systems can be carried out by using numerical programs based on the Langevin dynamics. (author). 19 refs, 1 tab

Dynamical entropy for infinite quantum systems

International Nuclear Information System (INIS)

Hudetz, T.

1990-01-01

We review the recent physical application of the so-called Connes-Narnhofer-Thirring entropy, which is the successful quantum mechanical generalization of the classical Kolmogorov-Sinai entropy and, by its very conception, is a dynamical entropy for infinite quantum systems. We thus comparingly review also the physical applications of the classical dynamical entropy for infinite classical systems. 41 refs. (Author)

Quantum algorithm for simulating the dynamics of an open quantum system

International Nuclear Information System (INIS)

Wang Hefeng; Ashhab, S.; Nori, Franco

2011-01-01

In the study of open quantum systems, one typically obtains the decoherence dynamics by solving a master equation. The master equation is derived using knowledge of some basic properties of the system, the environment, and their interaction: One basically needs to know the operators through which the system couples to the environment and the spectral density of the environment. For a large system, it could become prohibitively difficult to even write down the appropriate master equation, let alone solve it on a classical computer. In this paper, we present a quantum algorithm for simulating the dynamics of an open quantum system. On a quantum computer, the environment can be simulated using ancilla qubits with properly chosen single-qubit frequencies and with properly designed coupling to the system qubits. The parameters used in the simulation are easily derived from the parameters of the system + environment Hamiltonian. The algorithm is designed to simulate Markovian dynamics, but it can also be used to simulate non-Markovian dynamics provided that this dynamics can be obtained by embedding the system of interest into a larger system that obeys Markovian dynamics. We estimate the resource requirements for the algorithm. In particular, we show that for sufficiently slow decoherence a single ancilla qubit could be sufficient to represent the entire environment, in principle.

Toward demonstrating controlled-X operation based on continuous-variable four-partite cluster states and quantum teleporters

International Nuclear Information System (INIS)

Wang Yu; Su Xiaolong; Shen Heng; Tan Aihong; Xie Changde; Peng Kunchi

2010-01-01

One-way quantum computation based on measurement and multipartite cluster entanglement offers the ability to perform a variety of unitary operations only through different choices of measurement bases. Here we present an experimental study toward demonstrating the controlled-X operation, a two-mode gate in which continuous variable (CV) four-partite cluster states of optical modes are utilized. Two quantum teleportation elements are used for achieving the gate operation of the quantum state transformation from input target and control states to output states. By means of the optical cluster state prepared off-line, the homodyne detection and electronic feeding forward, the information carried by the input control state is transformed to the output target state. The presented scheme of the controlled-X operation based on teleportation can be implemented nonlocally and deterministically. The distortion of the quantum information resulting from the imperfect cluster entanglement is estimated with the fidelity.

Opinion dynamics model based on quantum formalism

Energy Technology Data Exchange (ETDEWEB)

Artawan, I. Nengah, E-mail: nengahartawan@gmail.com [Theoretical Physics Division, Department of Physics, Udayana University (Indonesia); Trisnawati, N. L. P., E-mail: nlptrisnawati@gmail.com [Biophysics, Department of Physics, Udayana University (Indonesia)

2016-03-11

Opinion dynamics model based on quantum formalism is proposed. The core of the quantum formalism is on the half spin dynamics system. In this research the implicit time evolution operators are derived. The analogy between the model with Deffuant dan Sznajd models is discussed.

Fractional quantum mechanics on networks: Long-range dynamics and quantum transport.

Science.gov (United States)

Riascos, A P; Mateos, José L

2015-11-01

In this paper we study the quantum transport on networks with a temporal evolution governed by the fractional Schrödinger equation. We generalize the dynamics based on continuous-time quantum walks, with transitions to nearest neighbors on the network, to the fractional case that allows long-range displacements. By using the fractional Laplacian matrix of a network, we establish a formalism that combines a long-range dynamics with the quantum superposition of states; this general approach applies to any type of connected undirected networks, including regular, random, and complex networks, and can be implemented from the spectral properties of the Laplacian matrix. We study the fractional dynamics and its capacity to explore the network by means of the transition probability, the average probability of return, and global quantities that characterize the efficiency of this quantum process. As a particular case, we explore analytically these quantities for circulant networks such as rings, interacting cycles, and complete graphs.

Optical dynamics in low-dimensional semiconductor heterostructures. Quantum dots and quantum cascade lasers

Energy Technology Data Exchange (ETDEWEB)

Weber, Carsten

2008-07-01

This work is focused on the optical dynamics of mesoscopic semiconductor heterostructures, using as prototypes zero-dimensional quantum dots and quantum cascade lasers which consist of quasitwo- dimensional quantum wells. Within a density matrix theory, a microscopic many-particle theory is applied to study scattering effects in these structures: the coupling to external as well as local fields, electron-phonon coupling, coupling to impurities, and Coulomb coupling. For both systems, the investigated effects are compared to experimentally observed results obtained during the past years. In quantum dots, the three-dimensional spatial confinement leads to the necessity to consider a quantum kinetic description of the dynamics, resulting in non-Markovian electron-phonon effects. This can be seen in the spectral phonon sidebands due to interaction with acoustic phonons as well as a damping of nonlinear Rabi oscillations which shows a nonmonotonous intensity and pulse duration dependence. An analysis of the inclusion of the self-interaction of the quantum dot shows that no dynamical local field terms appear for the simple two-level model. Considering local fields which have their origin in many quantum dots, consequences for a two-level quantum dot such as a zero-phonon line broadening and an increasing signal in photon echo experiments are found. For the use of quantum dots in an optical spin control scheme, it is found that the dephasing due to the electron-phonon interaction can be dominant in certain regimes. Furthermore, soliton and breather solutions are studied analytically in nonlinear quantum dot ensembles. Generalizing to quasi-two-dimensional structures, the intersubband dynamics of quantum cascade laser structures is investigated. A dynamical theory is considered in which the temporal evolution of the subband populations and the current density as well as the influence of scattering effects is studied. In the nonlinear regime, the scattering dependence and

Chaotic Dynamical Ferromagnetic Phase Induced by Nonequilibrium Quantum Fluctuations

Science.gov (United States)

Lerose, Alessio; Marino, Jamir; Žunkovič, Bojan; Gambassi, Andrea; Silva, Alessandro

2018-03-01

We investigate the robustness of a dynamical phase transition against quantum fluctuations by studying the impact of a ferromagnetic nearest-neighbor spin interaction in one spatial dimension on the nonequilibrium dynamical phase diagram of the fully connected quantum Ising model. In particular, we focus on the transient dynamics after a quantum quench and study the prethermal state via a combination of analytic time-dependent spin wave theory and numerical methods based on matrix product states. We find that, upon increasing the strength of the quantum fluctuations, the dynamical critical point fans out into a chaotic dynamical phase within which the asymptotic ordering is characterized by strong sensitivity to the parameters and initial conditions. We argue that such a phenomenon is general, as it arises from the impact of quantum fluctuations on the mean-field out of equilibrium dynamics of any system which exhibits a broken discrete symmetry.

Simulation of quantum dynamics with integrated photonics

Science.gov (United States)

Sansoni, Linda; Sciarrino, Fabio; Mataloni, Paolo; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto

2012-12-01

In recent years, quantum walks have been proposed as promising resources for the simulation of physical quantum systems. In fact it is widely adopted to simulate quantum dynamics. Up to now single particle quantum walks have been experimentally demonstrated by different approaches, while only few experiments involving many-particle quantum walks have been realized. Here we simulate the 2-particle dynamics on a discrete time quantum walk, built on an array of integrated waveguide beam splitters. The polarization independence of the quantum walk circuit allowed us to exploit the polarization entanglement to encode the symmetry of the two-photon wavefunction, thus the bunching-antibunching behavior of non interacting bosons and fermions has been simulated. We have also characterized the possible distinguishability and decoherence effects arising in such a structure. This study is necessary in view of the realization of a quantum simulator based on an integrated optical array built on a large number of beam splitters.

The fractional dynamics of quantum systems

Science.gov (United States)

Lu, Longzhao; Yu, Xiangyang

2018-05-01

The fractional dynamic process of a quantum system is a novel and complicated problem. The establishment of a fractional dynamic model is a significant attempt that is expected to reveal the mechanism of fractional quantum system. In this paper, a generalized time fractional Schrödinger equation is proposed. To study the fractional dynamics of quantum systems, we take the two-level system as an example and derive the time fractional equations of motion. The basic properties of the system are investigated by solving this set of equations in the absence of light field analytically. Then, when the system is subject to the light field, the equations are solved numerically. It shows that the two-level system described by the time fractional Schrödinger equation we proposed is a confirmable system.

On the quantum dynamical foundations of collision terms

International Nuclear Information System (INIS)

Nemes, M.C.; Toledo Piza, A.F.R. de

1981-08-01

Collision terms are non-unitary corrections usually added to mean field descriptions in order to describe dissipative effects. Derivations of collision terms usually include assumptions which lack an explicit connection with a fully quantum dynamical description. Quantum dynamical foundations of collision terms are examined: they are shown to reflect the dynamics of quantum correlations. A careful study of the non-unitary aspects of the evolution of quantum correlations leads naturally to an unambiguous definition of a collision term. This collision term is shown to obey a non-linear pre-master equation, whose derivation is fully quantum-mechanical. Moreover, it is shown that quantum correlations also yield an unitary correction to the mean field description, which could be absorbed in a suitable redefinition of the mean field. Formal expressions for these corrections are derived and their connection with memory effects exhibited explicitely. The typical time of evaluation of quantum correlations allows for an analytical expression for the 'lifetime of mean field descriptions'. Finally, a quantum mechanical point of view for 'irreversibility' in deep inelastic is discussed. (Author) [pt

Symmetry of intramolecular quantum dynamics

CERN Document Server

Burenin, Alexander V

2012-01-01

The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

Dynamical evolution of galaxies in clusters

International Nuclear Information System (INIS)

Ostriker, J.P.

1977-01-01

In addition to the processes involved in the evolution of star clusters, there are three kinds of processes that are peculiar to, or far more important in, galaxy clusters than in star clusters: galaxy interactions with gas, high-velocity tidal interactions, and accretion and cannibalism. The latter is discussed at some length; analytical calculations for the apparent luminosity evolution of the first brightest galaxy and the apparent luminosity evolution of M 12 are described, along with the numerical simulation of cluster evolution. It appears that many of the notable features of centrally condensed clusters of galaxies, particularly the presence of very luminous but low-surface-brightness central cD systems, can be understood in terms of a straightforward dynamical theory of galactic cannibalism. It is possible to maintain the hypothesis that dynamical evolution gradually transforms Bautz--Morgan III clusters to type II systems or type I systems. 36 references, 5 figures

Quantum-like dynamics of decision-making

Science.gov (United States)

Asano, Masanari; Basieva, Irina; Khrennikov, Andrei; Ohya, Masanori; Tanaka, Yoshiharu

2012-03-01

In cognitive psychology, some experiments for games were reported, and they demonstrated that real players did not use the “rational strategy” provided by classical game theory and based on the notion of the Nasch equilibrium. This psychological phenomenon was called the disjunction effect. Recently, we proposed a model of decision making which can explain this effect (“irrationality” of players) Asano et al. (2010, 2011) [23,24]. Our model is based on the mathematical formalism of quantum mechanics, because psychological fluctuations inducing the irrationality are formally represented as quantum fluctuations Asano et al. (2011) [55]. In this paper, we reconsider the process of quantum-like decision-making more closely and redefine it as a well-defined quantum dynamics by using the concept of lifting channel, which is an important concept in quantum information theory. We also present numerical simulation for this quantum-like mental dynamics. It is non-Markovian by its nature. Stabilization to the steady state solution (determining subjective probabilities for decision making) is based on the collective effect of mental fluctuations collected in the working memory of a decision maker.

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations

Science.gov (United States)

Kikuchi, Hideaki; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Shimojo, Fuyuki; Saini, Subhash

2003-01-01

Scalability of a low-cost, Intel Xeon-based, multi-Teraflop Linux cluster is tested for two high-end scientific applications: Classical atomistic simulation based on the molecular dynamics method and quantum mechanical calculation based on the density functional theory. These scalable parallel applications use space-time multiresolution algorithms and feature computational-space decomposition, wavelet-based adaptive load balancing, and spacefilling-curve-based data compression for scalable I/O. Comparative performance tests are performed on a 1,024-processor Linux cluster and a conventional higher-end parallel supercomputer, 1,184-processor IBM SP4. The results show that the performance of the Linux cluster is comparable to that of the SP4. We also study various effects, such as the sharing of memory and L2 cache among processors, on the performance.

Cluster dynamics at different cluster size and incident laser wavelengths

International Nuclear Information System (INIS)

Desai, Tara; Bernardinello, Andrea

2002-01-01

X-ray emission spectra from aluminum clusters of diameter -0.4 μm and gold clusters of dia. ∼1.25 μm are experimentally studied by irradiating the cluster foil targets with 1.06 μm laser, 10 ns (FWHM) at an intensity ∼10 12 W/cm 2 . Aluminum clusters show a different spectra compared to bulk material whereas gold cluster evolve towards bulk gold. Experimental data are analyzed on the basis of cluster dimension, laser wavelength and pulse duration. PIC simulations are performed to study the behavior of clusters at higher intensity I≥10 17 W/cm 2 for different size of the clusters irradiated at different laser wavelengths. Results indicate the dependence of cluster dynamics on cluster size and incident laser wavelength

Collaborative Simulation Grid: Multiscale Quantum-Mechanical/Classical Atomistic Simulations on Distributed PC Clusters in the US and Japan

Science.gov (United States)

Kikuchi, Hideaki; Kalia, Rajiv; Nakano, Aiichiro; Vashishta, Priya; Iyetomi, Hiroshi; Ogata, Shuji; Kouno, Takahisa; Shimojo, Fuyuki; Tsuruta, Kanji; Saini, Subhash;

Quantum kinetic theory of metal clusters in an intense electromagnetic field

Directory of Open Access Journals (Sweden)

M.Bonitz

2004-01-01

Full Text Available A quantum kinetic theory for weakly inhomogeneous charged particle systems is derived within the framework of nonequilibrium Green's functions. The results are of relevance for valence electrons of metal clusters as well as for confined Coulomb systems, such as electrons in quantum dots or ultracold ions in traps and similar systems. To be specific, here we concentrate on the application to metal clusters, but the results are straightforwardly generalized. Therefore, we first give an introduction to the physics of correlated valence electrons of metal clusters in strong electromagnetic fields. After a brief overview on the jellium model and the standard density functional approach to the ground state properties, we focus on the extension of the theory to nonequilibrium. To this end a general gauge-invariant kinetic theory is developed. The results include the equations of motion of the two-time correlation functions, the equation for the Wigner function and an analysis of the spectral function. Here, the concept of an effective quantum potential is introduced which retains the convenient local form of the propagators. This allows us to derive explicit results for the spectral function of electrons in a combined strong electromagnetic field and a weakly inhomogeneous confinement potential.

Harnessing Disordered-Ensemble Quantum Dynamics for Machine Learning

Science.gov (United States)

Fujii, Keisuke; Nakajima, Kohei

2017-08-01

The quantum computer has an amazing potential of fast information processing. However, the realization of a digital quantum computer is still a challenging problem requiring highly accurate controls and key application strategies. Here we propose a platform, quantum reservoir computing, to solve these issues successfully by exploiting the natural quantum dynamics of ensemble systems, which are ubiquitous in laboratories nowadays, for machine learning. This framework enables ensemble quantum systems to universally emulate nonlinear dynamical systems including classical chaos. A number of numerical experiments show that quantum systems consisting of 5-7 qubits possess computational capabilities comparable to conventional recurrent neural networks of 100-500 nodes. This discovery opens up a paradigm for information processing with artificial intelligence powered by quantum physics.

Robust dynamical decoupling for quantum computing and quantum memory.

Science.gov (United States)

Souza, Alexandre M; Alvarez, Gonzalo A; Suter, Dieter

2011-06-17

Dynamical decoupling (DD) is a popular technique for protecting qubits from the environment. However, unless special care is taken, experimental errors in the control pulses used in this technique can destroy the quantum information instead of preserving it. Here, we investigate techniques for making DD sequences robust against different types of experimental errors while retaining good decoupling efficiency in a fluctuating environment. We present experimental data from solid-state nuclear spin qubits and introduce a new DD sequence that is suitable for quantum computing and quantum memory.

Dynamics of Quantum Causal Structures

Science.gov (United States)

Castro-Ruiz, Esteban; Giacomini, Flaminia; Brukner, Časlav

2018-01-01

It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B ). Here, we develop a framework for "dynamics of causal structures," i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B , via superposition of causal orders, to a channel from B to A . We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.

Quantum optics meets quantum many-body theory: coupled cluster studies of the Rabi Hamiltonian

International Nuclear Information System (INIS)

Davidson, N.J.; Quick, R.M.; Bishop, R.F.; Van der Walt, D.M.

1998-01-01

The Rabi Hamiltonian, which describes the interaction of a single mode of electromagnetic radiation with a two level system, is one of the fundamental models of quantum optics. It is also of wider interest as it provides a generic model for the interaction of bosons and fermions. To allow for a systematic analysis of the strong-coupling behaviour, we have applied the coupled cluster method (CCM) to the Rabi Hamiltonian to calculate its spectrum. We find strong evidence for the existence of a somewhat subtle quantum phase transition. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

Epistemic communities and cluster dynamics

DEFF Research Database (Denmark)

Håkanson, Lars

2003-01-01

This paper questions the prevailing notions that firms within industrial clusters have privi-leged access to `tacit knowledge' that is unavailable - or available only at high cost - to firms located elsewhere, and that such access provides competitive advantages that help to explain the growth...... and development of both firms and regions. It outlines a model of cluster dynam-ics emphasizing two mutually interdependent processes: the concentration of specialized and complementary epistemic communities, on the one hand, and entrepreneurship and a high rate of new firm formation on the other....

An efficient deterministic secure quantum communication scheme based on cluster states and identity authentication

International Nuclear Information System (INIS)

Wen-Jie, Liu; Han-Wu, Chen; Zhi-Qiang, Li; Zhi-Hao, Liu; Wen-Bo, Hu; Ting-Huai, Ma

2009-01-01

A novel efficient deterministic secure quantum communication scheme based on four-qubit cluster states and single-photon identity authentication is proposed. In this scheme, the two authenticated users can transmit two bits of classical information per cluster state, and its efficiency of the quantum communication is 1/3, which is approximately 1.67 times that of the previous protocol presented by Wang et al [Chin. Phys. Lett. 23 (2006) 2658]. Security analysis shows the present scheme is secure against intercept-resend attack and the impersonator's attack. Furthermore, it is more economic with present-day techniques and easily processed by a one-way quantum computer. (general)

Quantum level dynamics as classical relaxation towards equilibrium

Energy Technology Data Exchange (ETDEWEB)

Haake, F; Kus, M

1988-08-01

We consider the transition from untypical to generic level fluctuations in quantum systems. An important example is the change from level clustering to level repulsion, a frequently observed quantum signature of the development of chaos in the classical limit. We argue that such transitions to genericity can be understood as analogues of equilibration processes in classical many-particle systems.

Quantum speed limits in open system dynamics

OpenAIRE

del Campo, A.; Egusquiza, I. L.; Plenio, M. B.; Huelga, S. F.

2012-01-01

Bounds to the speed of evolution of a quantum system are of fundamental interest in quantum metrology, quantum chemical dynamics and quantum computation. We derive a time-energy uncertainty relation for open quantum systems undergoing a general, completely positive and trace preserving (CPT) evolution which provides a bound to the quantum speed limit. When the evolution is of the Lindblad form, the bound is analogous to the Mandelstam-Tamm relation which applies in the unitary case, with the ...

Anharmonic effects in the quantum cluster equilibrium method

Science.gov (United States)

von Domaros, Michael; Perlt, Eva

2017-03-01

The well-established quantum cluster equilibrium (QCE) model provides a statistical thermodynamic framework to apply high-level ab initio calculations of finite cluster structures to macroscopic liquid phases using the partition function. So far, the harmonic approximation has been applied throughout the calculations. In this article, we apply an important correction in the evaluation of the one-particle partition function and account for anharmonicity. Therefore, we implemented an analytical approximation to the Morse partition function and the derivatives of its logarithm with respect to temperature, which are required for the evaluation of thermodynamic quantities. This anharmonic QCE approach has been applied to liquid hydrogen chloride and cluster distributions, and the molar volume, the volumetric thermal expansion coefficient, and the isobaric heat capacity have been calculated. An improved description for all properties is observed if anharmonic effects are considered.

Dynamic trapping near a quantum critical point

Science.gov (United States)

Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli

2015-02-01

The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.

Spin dynamics and quantum tunneling in Fe8 nanomagnet and in AFM rings by NMR

Science.gov (United States)

Baek, Seung-Ho

In this thesis, our main interest has been to investigate the spin dynamics and quantum tunneling in single molecule magnets (SMMs). For this we have selected two different classes of SMMs: a ferromagnetic total high spin S = 10 cluster Fe8 and antiferromagnetic (AFM) ring-type clusters. For Fe8, our efforts have been devoted to the investigation of the quantum tunneling of magnetization in the very low temperature region. The most remarkable experimental finding in Fe8 is that the nuclear spin-lattice relaxation rate (1/T1) at low temperatures takes place via strong collision mechanism, and thus it allows to measure directly the tunneling rate vs. T and H for the first time. For AFM rings, we have shown that 1/T1 probes the thermal fluctuations of the magnetization in the intermediate temperature range. We find that the fluctuations are dominated by a single characteristic frequency which has a power-law T-dependence indicative of fluctuations due to electron-acoustic phonon interactions.

Spin Dynamics and Quantum Tunneling in Fe8 Nanomagnet and in AFM Rings by NMR

International Nuclear Information System (INIS)

Seung-Ho-Baek

2004-01-01

In this thesis, our main interest has been to investigate the spin dynamics and quantum tunneling in single molecule magnets (SMMs), For this we have selected two different classes of SMMs: a ferrimagnetic total high spin S = 10 cluster Fe8 and antiferromagnetic (AFM) ring-type clusters. For Fe8, our efforts have been devoted to the investigation of the quantum tunneling of magnetization in the very low temperature region. The most remarkable experimental finding in Fe8 is that the nuclear spin-lattice relaxation rate (1/T l ) at low temperatures takes place via strong collision mechanism, and thus it allows to measure directly the tunneling rate vs T and H for the first time. For AFM rings, we have shown that 1/T l probes the thermal fluctuations of the magnetization in the intermediate temperature range. We find that the fluctuations are dominated by a single characteristic frequency which has a power law T-dependence indicative of fluctuations due to electron-acoustic phonon interactions

Molecular quantum dynamics. From theory to applications

International Nuclear Information System (INIS)

Gatti, Fabien

2014-01-01

An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible introduction. Although the

Molecular quantum dynamics. From theory to applications

Energy Technology Data Exchange (ETDEWEB)

Gatti, Fabien (ed.) [Montpellier 2 Univ. (France). Inst. Charles Gerhardt - CNRS 5253

2014-09-01

An educational and accessible introduction to the field of molecular quantum dynamics. Illustrates the importance of the topic for broad areas of science: from astrophysics and the physics of the atmosphere, over elementary processes in chemistry, to biological processes. Presents chosen examples of striking applications, highlighting success stories, summarized by the internationally renowned experts. Including a foreword by Lorenz Cederbaum (University Heidelberg, Germany). This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book ''Molecular Quantum Dynamics'' offers them an accessible

Lieb-Liniger-like model of quantum solvation in CO-4HeN clusters

Science.gov (United States)

Farrelly, D.; Iñarrea, M.; Lanchares, V.; Salas, J. P.

2016-05-01

Small 4He clusters doped with various molecules allow for the study of "quantum solvation" as a function of cluster size. A peculiarity of quantum solvation is that, as the number of 4He atoms is increased from N = 1, the solvent appears to decouple from the molecule which, in turn, appears to undergo free rotation. This is generally taken to signify the onset of "microscopic superfluidity." Currently, little is known about the quantum mechanics of the decoupling mechanism, mainly because the system is a quantum (N + 1)-body problem in three dimensions which makes computations difficult. Here, a one-dimensional model is studied in which the 4He atoms are confined to revolve on a ring and encircle a rotating CO molecule. The Lanczos algorithm is used to investigate the eigenvalue spectrum as the number of 4He atoms is varied. Substantial solvent decoupling is observed for as few as N = 5 4He atoms. Examination of the Hamiltonian matrix, which has an almost block diagonal structure, reveals increasingly weak inter-block (solvent-molecule) coupling as the number of 4He atoms is increased. In the absence of a dopant molecule the system is similar to a Lieb-Liniger (LL) gas and we find a relatively rapid transition to the LL limit as N is increased. In essence, the molecule initially—for very small N—provides a central, if relatively weak, attraction to organize the cluster; as more 4He atoms are added, the repulsive interactions between the identical bosons start to dominate as the solvation ring (shell) becomes more crowded which causes the molecule to start to decouple. For low N, the molecule pins the atoms in place relative to itself; as N increases the atom-atom repulsion starts to dominate the Hamiltonian and the molecule decouples. We conclude that, while the notion of superfluidity is a useful and correct description of the decoupling process, a molecular viewpoint provides complementary insights into the quantum mechanism of the transition from a molecular

Nonlinear quantum dynamics in diatomic molecules: Vibration, rotation and spin

International Nuclear Information System (INIS)

Yang, Ciann-Dong; Weng, Hung-Jen

2012-01-01

Highlights: ► This paper reveals the internal nonlinear dynamics embedded in a molecular quantum state. ► Analyze quantum molecular dynamics in a deterministic way, while preserving the consistency with probability interpretation. ► Molecular vibration–rotation interaction and spin–orbital coupling are considered simultaneously. ► Spin is just the remnant angular motion when orbital angular momentum is zero. ► Spin is the “zero dynamics” of nonlinear quantum dynamics. - Abstract: For a given molecular wavefunction Ψ, the probability density function Ψ ∗ Ψ is not the only information that can be extracted from Ψ. We point out in this paper that nonlinear quantum dynamics of a diatomic molecule, completely consistent with the probability prediction of quantum mechanics, does exist and can be derived from the quantum Hamilton equations of motion determined by Ψ. It can be said that the probability density function Ψ ∗ Ψ is an external representation of the quantum state Ψ, while the related Hamilton dynamics is an internal representation of Ψ, which reveals the internal mechanism underlying the externally observed random events. The proposed internal representation of Ψ establishes a bridge between nonlinear dynamics and quantum mechanics, which allows the methods and tools already developed by the former to be applied to the latter. Based on the quantum Hamilton equations of motion derived from Ψ, vibration, rotation and spin motions of a diatomic molecule and the interactions between them can be analyzed simultaneously. The resulting dynamic analysis of molecular motion is compared with the conventional probability analysis and the consistency between them is demonstrated.

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

Science.gov (United States)

Smith, Brendan; Akimov, Alexey V.

2018-04-01

A simple and robust methodology, dubbed Entangled Trajectories Hamiltonian Dynamics (ETHD), is developed to capture quantum nuclear effects such as tunneling and zero-point energy through the coupling of multiple classical trajectories. The approach reformulates the classically mapped second-order Quantized Hamiltonian Dynamics (QHD-2) in terms of coupled classical trajectories. The method partially enforces the uncertainty principle and facilitates tunneling. The applicability of the method is demonstrated by studying the dynamics in symmetric double well and cubic metastable state potentials. The methodology is validated using exact quantum simulations and is compared to QHD-2. We illustrate its relationship to the rigorous Bohmian quantum potential approach, from which ETHD can be derived. Our simulations show a remarkable agreement of the ETHD calculation with the quantum results, suggesting that ETHD may be a simple and inexpensive way of including quantum nuclear effects in molecular dynamics simulations.

Quantum mechanics and dynamics in phase space

International Nuclear Information System (INIS)

Zlatev, I.S.

1979-01-01

Attention is paid to formal similarity of quantum mechanics and classical statistical physics. It is supposed that quantum mechanics can be reformulated by means of the quasiprobabilistic distributions (QPD). The procedure of finding a possible dynamics of representative points in a phase space is described. This procedure would lead to an equation of the Liouville type for the given QPD. It is shown that there is always a dynamics for which the phase volume is preserved and there is another dynamics for which the equations of motion are ''canonical''. It follows from the paper that in terms of the QPD the quantum mechanics is analogous to the classical statistical mechanics and it can be interpreted as statistics of phase points, their motion obeying the canonical equations. The difference consists in the fact that in the classical statistical physics constructed is statistics of points in a phase space which depict real, existing, observable states of the system under consideration. In the quantum mechanics constructed is statistics of points in a phase space which correspond to the ''substrate'' of quantum-mechanical objects which have no any physical sense and cannot be observed separately

Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations

Energy Technology Data Exchange (ETDEWEB)

Farberovich, Oleg V. [School of Physics and Astronomy, Beverly and Raymond Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978 (Israel); Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation); Voronezh State University, Voronezh 394000 (Russian Federation); Mazalova, Victoria L., E-mail: mazalova@sfedu.ru [Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation); Soldatov, Alexander V. [Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation)

2015-11-15

We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density-functional scheme for the calculation of the exchange integrals in the non-collinear spin configurations in the generalized spin Hamiltonian (GSH) with the anisotropic exchange coupling parameters linking the nickel ions with a silicon substrate. In this model the interaction of a spin qubit with substrate is considered in GSH at the calculation of exchange integrals J{sub ij} of the nanosystem Ni{sub 7}–Si in the one-electron approach taking into account chemical bonds of all Si-atoms of a substrate (environment) with atoms of the Ni{sub 7}-cluster. The energy pattern was found from the effective GSH Hamiltonian acting in the restricted spin space of the Ni ions by the application of the irreducible tensor operators (ITO) technique. In this paper we offer the model of the quantum solid-state N-spin qubit based on the studying of the spin structure and the spin-dynamics simulations of the 3d-metal Ni clusters on the silicon surface. The solution of the problem of the entanglement between spin states in the N-spin systems is becoming more interesting when considering clusters or molecules with a spectral gap in their density of states. For quantifying the distribution of the entanglement between the individual spin eigenvalues (modes) in the spin structure of the N-spin system we use the density of entanglement (DOE). In this study we have developed and used the advanced high-precision numerical techniques to accurately assess the details of the decoherence process governing the dynamics of the N-spin qubits interacting with a silicon surface. We have studied the Rabi oscillations to evaluate the N-spin qubits system as a function of the time and the magnetic field. We have observed the stabilized Rabi oscillations and have stabilized the quantum dynamical qubit state and Rabi driving after a fixed time (0.327 μs). The comparison of the energy

Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations

International Nuclear Information System (INIS)

Farberovich, Oleg V.; Mazalova, Victoria L.; Soldatov, Alexander V.

2015-01-01

We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density-functional scheme for the calculation of the exchange integrals in the non-collinear spin configurations in the generalized spin Hamiltonian (GSH) with the anisotropic exchange coupling parameters linking the nickel ions with a silicon substrate. In this model the interaction of a spin qubit with substrate is considered in GSH at the calculation of exchange integrals J ij of the nanosystem Ni 7 –Si in the one-electron approach taking into account chemical bonds of all Si-atoms of a substrate (environment) with atoms of the Ni 7 -cluster. The energy pattern was found from the effective GSH Hamiltonian acting in the restricted spin space of the Ni ions by the application of the irreducible tensor operators (ITO) technique. In this paper we offer the model of the quantum solid-state N-spin qubit based on the studying of the spin structure and the spin-dynamics simulations of the 3d-metal Ni clusters on the silicon surface. The solution of the problem of the entanglement between spin states in the N-spin systems is becoming more interesting when considering clusters or molecules with a spectral gap in their density of states. For quantifying the distribution of the entanglement between the individual spin eigenvalues (modes) in the spin structure of the N-spin system we use the density of entanglement (DOE). In this study we have developed and used the advanced high-precision numerical techniques to accurately assess the details of the decoherence process governing the dynamics of the N-spin qubits interacting with a silicon surface. We have studied the Rabi oscillations to evaluate the N-spin qubits system as a function of the time and the magnetic field. We have observed the stabilized Rabi oscillations and have stabilized the quantum dynamical qubit state and Rabi driving after a fixed time (0.327 μs). The comparison of the energy pattern with

Dynamical fermions in lattice quantum chromodynamics

Energy Technology Data Exchange (ETDEWEB)

Szabo, Kalman

2007-07-01

The thesis presentS results in Quantum Chromo Dynamics (QCD) with dynamical lattice fermions. The topological susceptibilty in QCD is determined, the calculations are carried out with dynamical overlap fermions. The most important properties of the quark-gluon plasma phase of QCD are studied, for which dynamical staggered fermions are used. (orig.)

Dynamical fermions in lattice quantum chromodynamics

International Nuclear Information System (INIS)

Szabo, Kalman

2007-01-01

The thesis presentS results in Quantum Chromo Dynamics (QCD) with dynamical lattice fermions. The topological susceptibilty in QCD is determined, the calculations are carried out with dynamical overlap fermions. The most important properties of the quark-gluon plasma phase of QCD are studied, for which dynamical staggered fermions are used. (orig.)

Dynamics of Quantum Causal Structures

Directory of Open Access Journals (Sweden)

Esteban Castro-Ruiz

2018-03-01

Full Text Available It was recently suggested that causal structures are both dynamical, because of general relativity, and indefinite, because of quantum theory. The process matrix formalism furnishes a framework for quantum mechanics on indefinite causal structures, where the order between operations of local laboratories is not definite (e.g., one cannot say whether operation in laboratory A occurs before or after operation in laboratory B. Here, we develop a framework for “dynamics of causal structures,” i.e., for transformations of process matrices into process matrices. We show that, under continuous and reversible transformations, the causal order between operations is always preserved. However, the causal order between a subset of operations can be changed under continuous yet nonreversible transformations. An explicit example is that of the quantum switch, where a party in the past affects the causal order of operations of future parties, leading to a transition from a channel from A to B, via superposition of causal orders, to a channel from B to A. We generalize our framework to construct a hierarchy of quantum maps based on transformations of process matrices and transformations thereof.

Fluorescence Imaging Assisted Photodynamic Therapy Using Photosensitizer-Linked Gold Quantum Clusters.

Science.gov (United States)

Nair, Lakshmi V; Nazeer, Shaiju S; Jayasree, Ramapurath S; Ajayaghosh, Ayyappanpillai

2015-06-23

Fluorescence imaging assisted photodynamic therapy (PDT) is a viable two-in-one clinical tool for cancer treatment and follow-up. While the surface plasmon effect of gold nanorods and nanoparticles has been effective for cancer therapy, their emission properties when compared to gold nanoclusters are weak for fluorescence imaging guided PDT. In order to address the above issues, we have synthesized a near-infrared-emitting gold quantum cluster capped with lipoic acid (L-AuC with (Au)18(L)14) based nanoplatform with excellent tumor reduction property by incorporating a tumor-targeting agent (folic acid) and a photosensitizer (protoporphyrin IX), for selective PDT. The synthesized quantum cluster based photosensitizer PFL-AuC showed 80% triplet quantum yield when compared to that of the photosensitizer alone (63%). PFL-AuC having 60 μg (0.136 mM) of protoporphyrin IX was sufficient to kill 50% of the tumor cell population. Effective destruction of tumor cells was evident from the histopathology and fluorescence imaging, which confirm the in vivo PDT efficacy of PFL-AuC.

Exponential rise of dynamical complexity in quantum computing through projections.

Science.gov (United States)

Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya

2014-10-10

The ability of quantum systems to host exponentially complex dynamics has the potential to revolutionize science and technology. Therefore, much effort has been devoted to developing of protocols for computation, communication and metrology, which exploit this scaling, despite formidable technical difficulties. Here we show that the mere frequent observation of a small part of a quantum system can turn its dynamics from a very simple one into an exponentially complex one, capable of universal quantum computation. After discussing examples, we go on to show that this effect is generally to be expected: almost any quantum dynamics becomes universal once 'observed' as outlined above. Conversely, we show that any complex quantum dynamics can be 'purified' into a simpler one in larger dimensions. We conclude by demonstrating that even local noise can lead to an exponentially complex dynamics.

Six-qubit two-photon hyperentangled cluster states: Characterization and application to quantum computation

International Nuclear Information System (INIS)

Vallone, Giuseppe; Donati, Gaia; Ceccarelli, Raino; Mataloni, Paolo

2010-01-01

Six-qubit cluster states built on the simultaneous entanglement of two photons in three independent degrees of freedom, that is, polarization and a double longitudinal momentum, have been recently demonstrated. We present here the peculiar entanglement properties of the linear cluster state |L-tildeC 6 > related to the three degrees of freedom. This state has been adopted to realize various kinds of controlled not (cnot) gates, obtaining high values of the fidelity of the expected output states for all considered cases. Our results demonstrate that these states may represent a promising approach toward scalable quantum computation in a medium-term time scale. The future perspectives of a hybrid approach to one-way quantum computing based on multiple degrees of freedom and multiphoton cluster states are also discussed in the conclusion of this article.

Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters; Dynamique moleculaire quantique: Methodes numeriques et etude physique de la structure, de la thermodynamique, de la stabilite et de la fragmentation des agregats metalliques de sodium

Energy Technology Data Exchange (ETDEWEB)

Blaise, Philippe [Universite Joseph Fourier, Grenoble 1, 74 Annecy (France)

1998-09-29

The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author) 87 refs., 57 figs., 4 tabs.

Quantum treatment of the Ar-HI photodissociation dynamics

International Nuclear Information System (INIS)

Lopez-Lopez, Sergio; Prosmiti, Rita; Garcia-Vela, Alberto

2004-01-01

A wave packet simulation of the ultraviolet photolysis dynamics of Ar-HI(v=0) is reported. Cluster photodissociation is started from two different initial states, namely, the ground van der Waals (vdW) and the first excited vdW bending state, associated with the Ar-I-H and Ar-H-I isomeric forms of the system, respectively. Formation of Ar-I radical products is investigated over the energy range of the cluster absorption spectrum. It is found that the yield of bound Ar-I radical complexes is typically 90%-100% and 70%-80% for the initial states associated with the Ar-I-H and Ar-H-I isomers, respectively. This result is in agreement with the experimentally observed time-of-flight spectrum of the hydrogen fragment produced after Ar-HI photodissociation. The high Ar-I yield is explained mainly by the small amount of energy available for the radical that is converted into internal energy in the photofragmentation process, which enhances the Ar-I survival probability. Quantum interference effects manifest themselves in structures in the angular distribution of the hydrogen fragment, and in pronounced rainbow patterns in the rotational distributions of the Ar-I radical

Quantum dynamics of spin qubits in optically active quantum dots

International Nuclear Information System (INIS)

Bechtold, Alexander

2017-01-01

The control of solid-state qubits for quantum information processing requires a detailed understanding of the mechanisms responsible for decoherence. During the past decade a considerable progress has been achieved for describing the qubit dynamics in relatively strong external magnetic fields. However, until now it has been impossible to experimentally test many theoretical predictions at very low magnetic fields and uncover mechanisms associated with reduced coherence times of spin qubits in solids. In particular, the role of the quadrupolar coupling of nuclear spins in this process is to date poorly understood. In the framework of this thesis, a spin memory device is utilized to optically prepare individual electron spin qubits in a single InGaAs quantum dot. After storages over timescales extending into the microsecond range the qubit��s state is read out to monitor the impact of the environment on it the spin dynamics. By performing such pump-probe experiments, the dominant electron spin decoherence mechanisms are identified in a wide range of external magnetic fields (0-5 T) and lattice temperatures of ∝10 K. The results presented in this thesis show that, without application of external magnetic fields the initially orientated electron spin rapidly loses its polarization due to precession around the fluctuating Overhauser field with a dispersion of 10.5 mT. The inhomogeneous dephasing time associated with these hyperfine mediated dynamics is of the order of T * 2 =2 ns. Over longer timescales, an unexpected stage of central spin relaxation is observed, namely the appearance of a second feature in the relaxation curve around T Q =750 ns. By comparison with theoretical simulations, this additional decoherence channel is shown to arise from coherent dynamics in the nuclear spin bath itself. Such coherent dynamics are induced by a quadrupolar coupling of the nuclear spins to the strain induced electric field gradients in the quantum dot. These processes

Role of controllability in optimizing quantum dynamics

International Nuclear Information System (INIS)

Wu Rebing; Hsieh, Michael A.; Rabitz, Herschel

2011-01-01

This paper reveals an important role that controllability plays in the complexity of optimizing quantum control dynamics. We show that the loss of controllability generally leads to multiple locally suboptimal controls when gate fidelity in a quantum control system is maximized, which does not happen if the system is controllable. Such local suboptimal controls may attract an optimization algorithm into a local trap when a global optimal solution is sought, even if the target gate can be perfectly realized. This conclusion results from an analysis of the critical topology of the corresponding quantum control landscape, which refers to the gate fidelity objective as a functional of the control fields. For uncontrollable systems, due to SU(2) and SU(3) dynamical symmetries, the control landscape corresponding to an implementable target gate is proven to possess multiple locally optimal critical points, and its ruggedness can be further increased if the target gate is not realizable. These results imply that the optimization of quantum dynamics can be seriously impeded when operating with local search algorithms under these conditions, and thus full controllability is demanded.

Dynamics of Quantum Entanglement in Reservoir with Memory Effects

International Nuclear Information System (INIS)

Hao Xiang; Sha Jinqiao; Sun Jian; Zhu Shiqun

2012-01-01

The non-Markovian dynamics of quantum entanglement is studied by the Shabani-Lidar master equation when one of entangled quantum systems is coupled to a local reservoir with memory effects. The completely positive reduced dynamical map can be constructed in the Kraus representation. Quantum entanglement decays more slowly in the non-Markovian environment. The decoherence time for quantum entanglement can be markedly increased with the change of the memory kernel. It is found out that the entanglement sudden death between quantum systems and entanglement sudden birth between the system and reservoir occur at different instants. (general)

Dynamics of a complex quantum magnet

International Nuclear Information System (INIS)

Landry, James W.; Coppersmith, S. N.

2003-01-01

We have computed the low energy quantum states and low frequency dynamical susceptibility of complex quantum spin systems in the limit of strong interactions, obtaining exact results for system sizes enormously larger than accessible previously. The ground state is a complex superposition of a substantial fraction of all the classical ground states, and yet the dynamical susceptibility exhibits sharp resonances reminiscent of the behavior of single spins. These results show that strongly interacting quantum systems can organize to generate coherent excitations and shed light on recent experiments demonstrating that coherent excitations are present in a disordered spin liquid. The dependence of the energy spectra on system size differs qualitatively from that of the energy spectra of random undirected bipartite graphs with similar statistics, implying that strong interactions are giving rise to these unusual spectral properties

Dynamical cluster approximation plus semiclassical approximation study for a Mott insulator and d-wave pairing

Science.gov (United States)

Kim, SungKun; Lee, Hunpyo

2017-06-01

Via a dynamical cluster approximation with N c = 4 in combination with a semiclassical approximation (DCA+SCA), we study the doped two-dimensional Hubbard model. We obtain a plaquette antiferromagnetic (AF) Mott insulator, a plaquette AF ordered metal, a pseudogap (or d-wave superconductor) and a paramagnetic metal by tuning the doping concentration. These features are similar to the behaviors observed in copper-oxide superconductors and are in qualitative agreement with the results calculated by the cluster dynamical mean field theory with the continuous-time quantum Monte Carlo (CDMFT+CTQMC) approach. The results of our DCA+SCA differ from those of the CDMFT+CTQMC approach in that the d-wave superconducting order parameters are shown even in the high doped region, unlike the results of the CDMFT+CTQMC approach. We think that the strong plaquette AF orderings in the dynamical cluster approximation (DCA) with N c = 4 suppress superconducting states with increasing doping up to strongly doped region, because frozen dynamical fluctuations in a semiclassical approximation (SCA) approach are unable to destroy those orderings. Our calculation with short-range spatial fluctuations is initial research, because the SCA can manage long-range spatial fluctuations in feasible computational times beyond the CDMFT+CTQMC tool. We believe that our future DCA+SCA calculations should supply information on the fully momentum-resolved physical properties, which could be compared with the results measured by angle-resolved photoemission spectroscopy experiments.

Adaptive resummation of Markovian quantum dynamics

International Nuclear Information System (INIS)

Lucas, Felix

2014-01-01

In this thesis we derive a highly convergent, nonperturbative expansion of Markovian open quantum dynamics. It is based on a splitting of the incoherent dynamics into periods of continuous evolution and abrupt jumps and attains its favorable convergence properties from an adaptive resummation of this so-called jump expansion. By means of the long-standing problems of spatial particle detection and Landau-Zener tunneling in the presence of dephasing, we show that this adaptive resummation technique facilitates new highly accurate analytic approximations of Markovian open systems. The open Landau-Zener model leads us to propose an efficient and robust incoherent control technique for the isomerization reaction of the visual pigment protein rhodopsin. Besides leading to approximate analytic descriptions of Markovian open quantum dynamics, the adaptive resummation of the jump expansion implies an efficient numerical simulation method. We spell out the corresponding numerical algorithm by means of Monte Carlo integration of the relevant terms in the jump expansion and demonstrate it in a set of paradigmatic open quantum systems.

Quantum dynamics of a strongly driven Josephson Junction

Energy Technology Data Exchange (ETDEWEB)

Gosner, Jennifer; Kubala, Bjoern; Ankerhold, Joachim [Institute for Complex Quantum Systems, University of Ulm (Germany)

2015-07-01

A Josephson Junction embedded in a dissipative circuit can be driven to exhibit non-linear oscillations. Classically the non-linear oscillator shows under sufficient strong driving and weak damping dynamical bifurcations and a bistable region similar to the conventional Duffing-oscillator. These features depend sensitively on initial conditions and parameters. The sensitivity of this circuit, called Josephson Bifurcation Amplifier, can be used to amplify an incoming signal, to form a sensing device or even for measuring a quantum system. The quantum dynamics can be described by a dissipative Lindblad master equation. Signatures of the classical bifurcation phenomena appear in the Wigner representation, used to characterize and visualize the resulting behaviour. In order to compare this quantum dynamics to that of the conventional Duffing-oscillator, the complete cosine-nonlinearity of the Josephson Junction is kept for the quantum description while going into a rotating frame.

The coupled cluster theory of quantum lattice systems

International Nuclear Information System (INIS)

Bishop, R.; Xian, Yang

1994-01-01

The coupled cluster method is widely recognized nowadays as providing an ab initio method of great versatility, power, and accuracy for handling in a fully microscopic and systematic way the correlations between particles in quantum many-body systems. The number of successful applications made to date within both chemistry and physics is impressive. In this article, the authors review recent extensions of the method which now provide a unifying framework for also dealing with strongly interacting infinite quantum lattice systems described by a Hamiltonian. Such systems include both spin-lattice models (such as the anisotropic Heisenberg or XXZ model) exhibiting interesting magnetic properties, and electron lattice models (such as the tJ and Hubbard models), where the spins or fermions are localized on the sites of a regular lattice; as well as lattice gauge theories [such as the Abelian U(1) model of quantum electrodynamics and non-Abelian SU(n) models]. Illustrative results are given for both the XXZ spin lattice model and U(1) lattice gauge theory

Quantum trajectory analysis of multimode subsystem-bath dynamics.

Science.gov (United States)

Wyatt, Robert E; Na, Kyungsun

2002-01-01

The dynamics of a swarm of quantum trajectories is investigated for systems involving the interaction of an active mode (the subsystem) with an M-mode harmonic reservoir (the bath). Equations of motion for the position, velocity, and action function for elements of the probability fluid are integrated in the Lagrangian (moving with the fluid) picture of quantum hydrodynamics. These fluid elements are coupled through the Bohm quantum potential and as a result evolve as a correlated ensemble. Wave function synthesis along the trajectories permits an exact description of the quantum dynamics for the evolving probability fluid. The approach is fully quantum mechanical and does not involve classical or semiclassical approximations. Computational results are presented for three systems involving the interaction on an active mode with M=1, 10, and 15 bath modes. These results include configuration space trajectory evolution, flux analysis of the evolving ensemble, wave function synthesis along trajectories, and energy partitioning along specific trajectories. These results demonstrate the feasibility of using a small number of quantum trajectories to obtain accurate quantum results on some types of open quantum systems that are not amenable to standard quantum approaches involving basis set expansions or Eulerian space-fixed grids.

Cluster algorithms with empahsis on quantum spin systems

International Nuclear Information System (INIS)

Gubernatis, J.E.; Kawashima, Naoki

1995-01-01

The purpose of this lecture is to discuss in detail the generalized approach of Kawashima and Gubernatis for the construction of cluster algorithms. We first present a brief refresher on the Monte Carlo method, describe the Swendsen-Wang algorithm, show how this algorithm follows from the Fortuin-Kastelyn transformation, and re=interpret this transformation in a form which is the basis of the generalized approach. We then derive the essential equations of the generalized approach. This derivation is remarkably simple if done from the viewpoint of probability theory, and the essential assumptions will be clearly stated. These assumptions are implicit in all useful cluster algorithms of which we are aware. They lead to a quite different perspective on cluster algorithms than found in the seminal works and in Ising model applications. Next, we illustrate how the generalized approach leads to a cluster algorithm for world-line quantum Monte Carlo simulations of Heisenberg models with S = 1/2. More succinctly, we also discuss the generalization of the Fortuin- Kasetelyn transformation to higher spin models and illustrate the essential steps for a S = 1 Heisenberg model. Finally, we summarize how to go beyond S = 1 to a general spin, XYZ model

Quantum measurement and dynamical maps

International Nuclear Information System (INIS)

Sudarshan, E.C.G.

1985-01-01

The problem of measurement in a quantum system involves the interaction of a classical system with only a small number of degrees of freedom ('measuring apparatus') coupled to the quantum system which is being subjected to measurement. It has been the practice to think of the measuring apparatus as a quantum system with a very large number of degrees of freedom treated in the classical limit. It is, however, possible to formulate the problem in such a manner that the measuring apparatus is a classical system with a finite number of degrees of freedom; this involves the perception of the classical system as the projection of a quantum system. The use of dynamical maps, which are discussed in this paper, is shown to be of benefit in tackling this problem. (UK)

The affective discourse dynamics of metaphor clustering The affective discourse dynamics of metaphor clustering

Directory of Open Access Journals (Sweden)

Lynne Cameron

2010-05-01

Full Text Available

Metaphor is examined in the very different iscourse contexts of the classroom and of reconciliation talk to highlight the neglected affective dimension. The distribution of metaphors across discourse shows clustering at certain points, often where speakers are engaged in critical interpersonal discourse activity. Clusters in classroom talk co-occur with sequences of agenda management where teachers prepare students for upcoming lessons and with giving feedback to students, both of which require careful management of interpersonal and affective issues. Clusters in reconciliation talk co-occur with discourse management and with two situations with significant affective dynamics: appropriation of metaphor and exploration of alternative scenarios.

Metaphor is examined in the very different iscourse contexts of the classroom and of reconciliation talk to highlight the neglected affective dimension. The distribution of metaphors across discourse shows clustering at certain points, often where speakers are engaged in critical interpersonal discourse activity. Clusters in classroom talk co-occur with sequences of agenda management where teachers prepare students for upcoming lessons and with giving feedback to students, both of which require careful management of interpersonal and affective issues. Clusters in reconciliation talk co-occur with discourse management and with two situations with significant affective dynamics: appropriation of metaphor and exploration of alternative scenarios.

Validating clustering of molecular dynamics simulations using polymer models

Directory of Open Access Journals (Sweden)

Phillips Joshua L

2011-11-01

Full Text Available Abstract Background Molecular dynamics (MD simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our

Spin Dynamics and Quantum Tunneling in Fe8 Nanomagnet and in AFM Rings by NMR

Energy Technology Data Exchange (ETDEWEB)

Ho-Baek, Seung [Iowa State Univ., Ames, IA (United States)

2004-01-01

In this thesis, our main interest has been to investigate the spin dynamics and quantum tunneling in single molecule magnets (SMMs), For this we have selected two different classes of SMMs: a ferrimagnetic total high spin S = 10 cluster Fe8 and antiferromagnetic (AFM) ring-type clusters. For Fe8, our efforts have been devoted to the investigation of the quantum tunneling of magnetization in the very low temperature region. The most remarkable experimental finding in Fe8 is that the nuclear spin-lattice relaxation rate (1/T{sub l}) at low temperatures takes place via strong collision mechanism, and thus it allows to measure directly the tunneling rate vs T and H for the first time. For AFM rings, we have shown that 1/T{sub l} probes the thermal fluctuations of the magnetization in the intermediate temperature range. We find that the fluctuations are dominated by a single characteristic frequency which has a power law T-dependence indicative of fluctuations due to electron-acoustic phonon interactions.

Simulation of quantum dynamics based on the quantum stochastic differential equation.

Science.gov (United States)

Li, Ming

2013-01-01

The quantum stochastic differential equation derived from the Lindblad form quantum master equation is investigated. The general formulation in terms of environment operators representing the quantum state diffusion is given. The numerical simulation algorithm of stochastic process of direct photodetection of a driven two-level system for the predictions of the dynamical behavior is proposed. The effectiveness and superiority of the algorithm are verified by the performance analysis of the accuracy and the computational cost in comparison with the classical Runge-Kutta algorithm.

A quantum-classical simulation of a multi-surface multi-mode ...

Indian Academy of Sciences (India)

Multi surface multi mode quantum dynamics; parallelized quantum classical approach; TDDVR method. 1. ... cal simulation on molecular system is a great cha- llenge for ..... on a multiple core cluster with shared memory using. OpenMP based ...

Generated dynamics of Markov and quantum processes

CERN Document Server

Janßen, Martin

2016-01-01

This book presents Markov and quantum processes as two sides of a coin called generated stochastic processes. It deals with quantum processes as reversible stochastic processes generated by one-step unitary operators, while Markov processes are irreversible stochastic processes generated by one-step stochastic operators. The characteristic feature of quantum processes are oscillations, interference, lots of stationary states in bounded systems and possible asymptotic stationary scattering states in open systems, while the characteristic feature of Markov processes are relaxations to a single stationary state. Quantum processes apply to systems where all variables, that control reversibility, are taken as relevant variables, while Markov processes emerge when some of those variables cannot be followed and are thus irrelevant for the dynamic description. Their absence renders the dynamic irreversible. A further aim is to demonstrate that almost any subdiscipline of theoretical physics can conceptually be put in...

Thermodynamics and proton activities of protic ionic liquids with quantum cluster equilibrium theory

Science.gov (United States)

Ingenmey, Johannes; von Domaros, Michael; Perlt, Eva; Verevkin, Sergey P.; Kirchner, Barbara

2018-05-01

We applied the binary Quantum Cluster Equilibrium (bQCE) method to a number of alkylammonium-based protic ionic liquids in order to predict boiling points, vaporization enthalpies, and proton activities. The theory combines statistical thermodynamics of van-der-Waals-type clusters with ab initio quantum chemistry and yields the partition functions (and associated thermodynamic potentials) of binary mixtures over a wide range of thermodynamic phase points. Unlike conventional cluster approaches that are limited to the prediction of thermodynamic properties, dissociation reactions can be effortlessly included into the bQCE formalism, giving access to ionicities, as well. The method is open to quantum chemical methods at any level of theory, but combination with low-cost composite density functional theory methods and the proposed systematic approach to generate cluster sets provides a computationally inexpensive and mostly parameter-free way to predict such properties at good-to-excellent accuracy. Boiling points can be predicted within an accuracy of 50 K, reaching excellent accuracy for ethylammonium nitrate. Vaporization enthalpies are predicted within an accuracy of 20 kJ mol-1 and can be systematically interpreted on a molecular level. We present the first theoretical approach to predict proton activities in protic ionic liquids, with results fitting well into the experimentally observed correlation. Furthermore, enthalpies of vaporization were measured experimentally for some alkylammonium nitrates and an excellent linear correlation with vaporization enthalpies of their respective parent amines is observed.

Associative Yang-Baxter equation for quantum (semi-)dynamical R-matrices

International Nuclear Information System (INIS)

Sechin, Ivan; Zotov, Andrei

2016-01-01

In this paper we propose versions of the associative Yang-Baxter equation and higher order R-matrix identities which can be applied to quantum dynamical R-matrices. As is known quantum non-dynamical R-matrices of Baxter-Belavin type satisfy this equation. Together with unitarity condition and skew-symmetry it provides the quantum Yang-Baxter equation and a set of identities useful for different applications in integrable systems. The dynamical R-matrices satisfy the Gervais-Neveu-Felder (or dynamical Yang-Baxter) equation. Relation between the dynamical and non-dynamical cases is described by the IRF (interaction-round-a-face)-Vertex transformation. An alternative approach to quantum (semi-)dynamical R-matrices and related quantum algebras was suggested by Arutyunov, Chekhov, and Frolov (ACF) in their study of the quantum Ruijsenaars-Schneider model. The purpose of this paper is twofold. First, we prove that the ACF elliptic R-matrix satisfies the associative Yang-Baxter equation with shifted spectral parameters. Second, we directly prove a simple relation of the IRF-Vertex type between the Baxter-Belavin and the ACF elliptic R-matrices predicted previously by Avan and Rollet. It provides the higher order R-matrix identities and an explanation of the obtained equations through those for non-dynamical R-matrices. As a by-product we also get an interpretation of the intertwining transformation as matrix extension of scalar theta function likewise R-matrix is interpreted as matrix extension of the Kronecker function. Relations to the Gervais-Neveu-Felder equation and identities for the Felder’s elliptic R-matrix are also discussed.

Integrability and chaos in quantum systems (as viewed from geometry and dynamical symmetry)

International Nuclear Information System (INIS)

Zhang, Wei-Min.

1989-01-01

It is known that the development and deep understanding of modern interaction theory and classical mechanics are made through geometry and symmetry. Yet, quantum mechanics which was regarded to be the microscopic theory of classical mechanics and achieved the crowning success in interpreting the entire microscopic world was developed purely from algebraic methods. In this thesis, the author will study the geometry and dynamical symmetry in quantum systems, from which the question of integrability and chaos are explicitly addressed. First of all, the quantum dynamical degrees of freedom and quantum integrability are precisely defined and the inherent geometrical structure of quantum systems is explored from the fundamental structure of quantum theory. Such a geometrical structure can provide a framework to simultaneously build quantum and classical mechanics. The quantum-classical correspondence is then explicitly deduced. The dynamics of quantum system before it reaches the classical limit is formulated. Thus, the classical chaos is proven to be a special limiting phenomena of quantum systems and the dynamics before the system reaches its classical chaos is explored. The latter is the first step to seek the quantum manifestation of chaos. The relationship between integrability and dynamical symmetry are studied and some universal properties are discovered: a dynamical system (both quantum and classical) in integrable if it possesses a dynamical symmetry. Chaos will occur if the system undergoes a dynamical symmetry breaking and is accompanied by a structural phase transition. Thus, the concept of dynamical symmetry can be used to predict the general behaviors of a system. The theoretical underpinnings developed in this thesis are verified by many basic quantum mechanical examples

Driven Quantum Dynamics: Will It Blend?

Directory of Open Access Journals (Sweden)

Leonardo Banchi

2017-10-01

Full Text Available Randomness is an essential tool in many disciplines of modern sciences, such as cryptography, black hole physics, random matrix theory, and Monte Carlo sampling. In quantum systems, random operations can be obtained via random circuits thanks to so-called q-designs and play a central role in condensed-matter physics and in the fast scrambling conjecture for black holes. Here, we consider a more physically motivated way of generating random evolutions by exploiting the many-body dynamics of a quantum system driven with stochastic external pulses. We combine techniques from quantum control, open quantum systems, and exactly solvable models (via the Bethe ansatz to generate Haar-uniform random operations in driven many-body systems. We show that any fully controllable system converges to a unitary q-design in the long-time limit. Moreover, we study the convergence time of a driven spin chain by mapping its random evolution into a semigroup with an integrable Liouvillian and finding its gap. Remarkably, we find via Bethe-ansatz techniques that the gap is independent of q. We use mean-field techniques to argue that this property may be typical for other controllable systems, although we explicitly construct counterexamples via symmetry-breaking arguments to show that this is not always the case. Our findings open up new physical methods to transform classical randomness into quantum randomness, via a combination of quantum many-body dynamics and random driving.

Multi-party Measurement-Device-Independent Quantum Key Distribution Based on Cluster States

Science.gov (United States)

Liu, Chuanqi; Zhu, Changhua; Ma, Shuquan; Pei, Changxing

2018-03-01

We propose a novel multi-party measurement-device-independent quantum key distribution (MDI-QKD) protocol based on cluster states. A four-photon analyzer which can distinguish all the 16 cluster states serves as the measurement device for four-party MDI-QKD. Any two out of four participants can build secure keys after the analyzers obtains successful outputs and the two participants perform post-processing. We derive a security analysis for the protocol, and analyze the key rates under different values of polarization misalignment. The results show that four-party MDI-QKD is feasible over 280 km in the optical fiber channel when the key rate is about 10- 6 with the polarization misalignment parameter 0.015. Moreover, our work takes an important step toward a quantum communication network.

A classical appraisal of quantum definitions of non-Markovian dynamics

International Nuclear Information System (INIS)

Vacchini, Bassano

2012-01-01

We consider the issue of non-Markovianity of a quantum dynamics starting from a comparison with the classical definition of Markovian processes. We point to the fact that two sufficient but not necessary signatures of non-Markovianity of a classical process find their natural quantum counterpart in recently introduced measures of quantum non-Markovianity. This behaviour is analysed in detail for quantum dynamics which can be built taking as input a class of classical processes. (paper)

The quantum Rabi model: solution and dynamics

International Nuclear Information System (INIS)

Xie, Qiongtao; Zhong, Honghua; Lee, Chaohong; Batchelor, Murray T

2017-01-01

This article presents a review of recent developments on various aspects of the quantum Rabi model. Particular emphasis is given on the exact analytic solution obtained in terms of confluent Heun functions. The analytic solutions for various generalisations of the quantum Rabi model are also discussed. Results are also reviewed on the level statistics and the dynamics of the quantum Rabi model. The article concludes with an introductory overview of several experimental realisations of the quantum Rabi model. An outlook towards future developments is also given. (topical review)

Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

Science.gov (United States)

Bryce, Richard A.; Vincent, Mark A.; Malcolm, Nathaniel O. J.; Hillier, Ian H.; Burton, Neil A.

1998-08-01

A new hybrid quantum mechanical/molecular mechanical model of solvation is developed and used to describe the structure and dynamics of small fluoride/water clusters, using an ab initio wave function to model the ion and a fluctuating charge potential to model the waters. Appropriate parameters for the water-water and fluoride-water interactions are derived, with the fluoride anion being described by density functional theory and a large Gaussian basis. The role of solvent polarization in determining the structure and energetics of F(H2O)4- clusters is investigated, predicting a slightly greater stability of the interior compared to the surface structure, in agreement with ab initio studies. An extended Lagrangian treatment of the polarizable water, in which the water atomic charges fluctuate dynamically, is used to study the dynamics of F(H2O)4- cluster. A simulation using a fixed solvent charge distribution indicates principally interior, solvated states for the cluster. However, a preponderance of trisolvated configurations is observed using the polarizable model at 300 K, which involves only three direct fluoride-water hydrogen bonds. Ab initio calculations confirm this trisolvated species as a thermally accessible state at room temperature, in addition to the tetrasolvated interior and surface structures. Extension of this polarizable water model to fluoride clusters with five and six waters gave less satisfactory agreement with experimental energies and with ab initio geometries. However, our results do suggest that a quantitative model of solvent polarization is fundamental for an accurate understanding of the properties of anionic water clusters.

Dynamical thermalization in isolated quantum dots and black holes

Science.gov (United States)

Kolovsky, Andrey R.; Shepelyansky, Dima L.

2017-01-01

We study numerically a model of quantum dot with interacting fermions. At strong interactions with small conductance the model is reduced to the Sachdev-Ye-Kitaev black-hole model while at weak interactions and large conductance it describes a Landau-Fermi liquid in a regime of quantum chaos. We show that above the Åberg threshold for interactions there is an onset of dynamical themalization with the Fermi-Dirac distribution describing the eigenstates of an isolated dot. At strong interactions in the isolated black-hole regime there is also the onset of dynamical thermalization with the entropy described by the quantum Gibbs distribution. This dynamical thermalization takes place in an isolated system without any contact with a thermostat. We discuss the possible realization of these regimes with quantum dots of 2D electrons and cold ions in optical lattices.

Note on transmitted complexity for quantum dynamical systems

Science.gov (United States)

Watanabe, Noboru; Muto, Masahiro

2017-10-01

Transmitted complexity (mutual entropy) is one of the important measures for quantum information theory developed recently in several ways. We will review the fundamental concepts of the Kossakowski, Ohya and Watanabe entropy and define a transmitted complexity for quantum dynamical systems. This article is part of the themed issue `Second quantum revolution: foundational questions'.

Dynamical evolution of clusters with two stellar groups

Energy Technology Data Exchange (ETDEWEB)

Angeletti, L; Giannone, P. (Rome Univ. (Italy))

1977-08-01

The generalization of the fluid-dynamical approach from one-component star clusters to clusters with several stellar groups (as far as the star masses are concerned) has been applied to the study of two-component clusters. Rather extreme values of stellar masses and masses of groups were chosen in order to emphasize the different dynamical evolutions and asymptotic behaviors. Escape of stars from clusters and the problem of equipartition of kinetic energy among the two star groups are discussed. Comparisons of the main features of the results with those obtained by other authors have shown a good agreement. Some characteristic properties of the last computed models with an age of 18x10/sup 9/ yr have been pointed out and discussed in relation with some observed features of galactic globular clusters.

Theory and application of quantum molecular dynamics

CERN Document Server

Zeng Hui Zhang, John

1999-01-01

This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the appli

Quantum teleportation and information splitting via four-qubit cluster state and a Bell state

Science.gov (United States)

Ramírez, Marlon David González; Falaye, Babatunde James; Sun, Guo-Hua; Cruz-Irisson, M.; Dong, Shi-Hai

2017-10-01

Quantum teleportation provides a "bodiless" way of transmitting the quantum state from one object to another, at a distant location, using a classical communication channel and a previously shared entangled state. In this paper, we present a tripartite scheme for probabilistic teleportation of an arbitrary single qubit state, without losing the information of the state being teleported, via a fourqubit cluster state of the form | ϕ>1234 = α|0000>+ β|1010>+ γ|0101>- η|1111>, as the quantum channel, where the nonzero real numbers α, β, γ, and η satisfy the relation j αj2 + | β|2 + | γ|2 + | η|2 = 1. With the introduction of an auxiliary qubit with state |0>, using a suitable unitary transformation and a positive-operator valued measure (POVM), the receiver can recreate the state of the original qubit. An important advantage of the teleportation scheme demonstrated here is that, if the teleportation fails, it can be repeated without teleporting copies of the unknown quantum state, if the concerned parties share another pair of entangled qubit. We also present a protocol for quantum information splitting of an arbitrary two-particle system via the aforementioned cluster state and a Bell-state as the quantum channel. Problems related to security attacks were examined for both the cases and it was found that this protocol is secure. This protocol is highly efficient and easy to implement.

Epidemic Dynamics in Open Quantum Spin Systems

Science.gov (United States)

Pérez-Espigares, Carlos; Marcuzzi, Matteo; Gutiérrez, Ricardo; Lesanovsky, Igor

2017-10-01

We explore the nonequilibrium evolution and stationary states of an open many-body system that displays epidemic spreading dynamics in a classical and a quantum regime. Our study is motivated by recent experiments conducted in strongly interacting gases of highly excited Rydberg atoms where the facilitated excitation of Rydberg states competes with radiative decay. These systems approximately implement open quantum versions of models for population dynamics or disease spreading where species can be in a healthy, infected or immune state. We show that in a two-dimensional lattice, depending on the dominance of either classical or quantum effects, the system may display a different kind of nonequilibrium phase transition. We moreover discuss the observability of our findings in laser driven Rydberg gases with particular focus on the role of long-range interactions.

Scaling and Universality at Dynamical Quantum Phase Transitions.

Science.gov (United States)

Heyl, Markus

2015-10-02

Dynamical quantum phase transitions (DQPTs) at critical times appear as nonanalyticities during nonequilibrium quantum real-time evolution. Although there is evidence for a close relationship between DQPTs and equilibrium phase transitions, a major challenge is still to connect to fundamental concepts such as scaling and universality. In this work, renormalization group transformations in complex parameter space are formulated for quantum quenches in Ising models showing that the DQPTs are critical points associated with unstable fixed points of equilibrium Ising models. Therefore, these DQPTs obey scaling and universality. On the basis of numerical simulations, signatures of these DQPTs in the dynamical buildup of spin correlations are found with an associated power-law scaling determined solely by the fixed point's universality class. An outlook is given on how to explore this dynamical scaling experimentally in systems of trapped ions.

Fundamental limits on quantum dynamics based on entropy change

Science.gov (United States)

Das, Siddhartha; Khatri, Sumeet; Siopsis, George; Wilde, Mark M.

2018-01-01

It is well known in the realm of quantum mechanics and information theory that the entropy is non-decreasing for the class of unital physical processes. However, in general, the entropy does not exhibit monotonic behavior. This has restricted the use of entropy change in characterizing evolution processes. Recently, a lower bound on the entropy change was provided in the work of Buscemi, Das, and Wilde [Phys. Rev. A 93(6), 062314 (2016)]. We explore the limit that this bound places on the physical evolution of a quantum system and discuss how these limits can be used as witnesses to characterize quantum dynamics. In particular, we derive a lower limit on the rate of entropy change for memoryless quantum dynamics, and we argue that it provides a witness of non-unitality. This limit on the rate of entropy change leads to definitions of several witnesses for testing memory effects in quantum dynamics. Furthermore, from the aforementioned lower bound on entropy change, we obtain a measure of non-unitarity for unital evolutions.

Exponential spreading and singular behavior of quantum dynamics near hyperbolic points.

Science.gov (United States)

Iomin, A

2013-05-01

Quantum dynamics of a particle in the vicinity of a hyperbolic point is considered. Expectation values of dynamical variables are calculated, and the singular behavior is analyzed. Exponentially fast extension of quantum dynamics is obtained, and conditions for this realization are analyzed.

Comment on "Dynamic quantum secret sharing"

Science.gov (United States)

Liao, Ci-Hong; Yang, Chun-Wei; Hwang, Tzonelish

2013-10-01

Hsu et al. (Quantum Inf Process 12:331-344,2013) proposed a dynamic quantum secret sharing (DQSS) protocol using the entanglement swapping of Bell states for an agent to easily join (or leave) the system. In 2013, Wang and Li (Quantum Inf Process 12(5):1991-1997, 2013) proposed a collusion attack on Hsu et al.'s DQSS protocol. Nevertheless, this study points out a new security issue on Hsu et al.'s DQSS protocol regarding to the honesty of a revoked agent. Without considering this issue, the DQSS protocol could be failed to provide secret sharing function.

Quantum chemistry of the minimal CdSe clusters

Science.gov (United States)

Yang, Ping; Tretiak, Sergei; Masunov, Artëm E.; Ivanov, Sergei

2008-08-01

Colloidal quantum dots are semiconductor nanocrystals (NCs) which have stimulated a great deal of research and have attracted technical interest in recent years due to their chemical stability and the tunability of photophysical properties. While internal structure of large quantum dots is similar to bulk, their surface structure and passivating role of capping ligands (surfactants) are not fully understood to date. We apply ab initio wavefunction methods, density functional theory, and semiempirical approaches to study the passivation effects of substituted phosphine and amine ligands on the minimal cluster Cd2Se2, which is also used to benchmark different computational methods versus high level ab initio techniques. Full geometry optimization of Cd2Se2 at different theory levels and ligand coverage is used to understand the affinities of various ligands and the impact of ligands on cluster structure. Most possible bonding patterns between ligands and surface Cd/Se atoms are considered, including a ligand coordinated to Se atoms. The degree of passivation of Cd and Se atoms (one or two ligands attached to one atom) is also studied. The results suggest that B3LYP/LANL2DZ level of theory is appropriate for the system modeling, whereas frequently used semiempirical methods (such as AM1 and PM3) produce unphysical results. The use of hydrogen atom for modeling of the cluster passivating ligands is found to yield unphysical results as well. Hence, the surface termination of II-VI semiconductor NCs with hydrogen atoms often used in computational models should probably be avoided. Basis set superposition error, zero-point energy, and thermal corrections, as well as solvent effects simulated with polarized continuum model are found to produce minor variations on the ligand binding energies. The effects of Cd-Se complex structure on both the electronic band gap (highest occupied molecular orbital-lowest unoccupied molecular orbital energy difference) and ligand binding

Dynamical localization of two electrons in triple-quantum-dot shuttles

International Nuclear Information System (INIS)

Qu, Jinxian; Duan, Suqing; Yang, Ning

2012-01-01

The dynamical localization phenomena in two-electron quantum-dot shuttles driven by an ac field have been investigated and analyzed by the Floquet theory. The dynamical localization occurs near the anti-crossings in Floquet eigenenergy spectrum. The oscillation of the quantum-dot shuttles may increase the possibility of the dynamical localization. Especially, even if the two electrons are initialized in two neighbor dots, they can be localized there for appropriate intensity of the driven field. The studies may help the understanding of dynamical localization in electron shuttles and expand the application potential of nanoelectromechanical devices. -- Highlights: ► The dynamical localization in electron shuttle is studied by Floquet theory. ► There is a relation between quasi-energy anti-crossings and dynamical localization. ► The oscillation of quantum dot increases the dynamical localization. ► Even the electrons are initialized in different dots, the localization can occur.

Modified Newtonian dynamics and the Coma cluster

International Nuclear Information System (INIS)

The, L.S.; White, S.D.M.

1988-01-01

The consistency of Milgrom's theory of modified Newtonian dynamics is checked against optical and X-ray data for the Coma cluster of galaxies. It is found that viable models for the cluster containing no dark matter can be constructed. They require an extensive gaseous atmosphere through which galaxies move on near-radial orbits. The gas temperature is predicted to have a shallow minimum near the cluster center; this structure may conflict with the best X-ray spectra of the cluster. 18 references

Dissipation and energy balance in electronic dynamics of Na clusters

Science.gov (United States)

Vincendon, Marc; Suraud, Eric; Reinhard, Paul-Gerhard

2017-06-01

We investigate the impact of dissipation on the energy balance in the electron dynamics of metal clusters excited by strong electro-magnetic pulses. The dynamics is described theoretically by Time-Dependent Density-Functional Theory (TDDFT) at the level of Local Density Approximation (LDA) augmented by a self interaction correction term and a quantum collision term in Relaxation-Time Approximation (RTA). We evaluate the separate contributions to the total excitation energy, namely energy exported by electron emission, potential energy due to changing charge state, intrinsic kinetic and potential energy, and collective flow energy. The balance of these energies is studied as function of the laser parameters (frequency, intensity, pulse length) and as function of system size and charge. We also look at collisions with a highly charged ion and here at the dependence on the impact parameter (close versus distant collisions). Dissipation turns out to be small where direct electron emission prevails namely for laser frequencies above any ionization threshold and for slow electron extraction in distant collisions. Dissipation is large for fast collisions and at low laser frequencies, particularly at resonances. Contribution to the Topical Issue "Dynamics of Systems at the Nanoscale", edited by Andrey Solov'yov and Andrei Korol.

Random operators disorder effects on quantum spectra and dynamics

CERN Document Server

Aizenman, Michael

2015-01-01

This book provides an introduction to the mathematical theory of disorder effects on quantum spectra and dynamics. Topics covered range from the basic theory of spectra and dynamics of self-adjoint operators through Anderson localization-presented here via the fractional moment method, up to recent results on resonant delocalization. The subject's multifaceted presentation is organized into seventeen chapters, each focused on either a specific mathematical topic or on a demonstration of the theory's relevance to physics, e.g., its implications for the quantum Hall effect. The mathematical chapters include general relations of quantum spectra and dynamics, ergodicity and its implications, methods for establishing spectral and dynamical localization regimes, applications and properties of the Green function, its relation to the eigenfunction correlator, fractional moments of Herglotz-Pick functions, the phase diagram for tree graph operators, resonant delocalization, the spectral statistics conjecture, and rela...

Combining dynamical decoupling with fault-tolerant quantum computation

International Nuclear Information System (INIS)

Ng, Hui Khoon; Preskill, John; Lidar, Daniel A.

2011-01-01

We study how dynamical decoupling (DD) pulse sequences can improve the reliability of quantum computers. We prove upper bounds on the accuracy of DD-protected quantum gates and derive sufficient conditions for DD-protected gates to outperform unprotected gates. Under suitable conditions, fault-tolerant quantum circuits constructed from DD-protected gates can tolerate stronger noise and have a lower overhead cost than fault-tolerant circuits constructed from unprotected gates. Our accuracy estimates depend on the dynamics of the bath that couples to the quantum computer and can be expressed either in terms of the operator norm of the bath's Hamiltonian or in terms of the power spectrum of bath correlations; we explain in particular how the performance of recursively generated concatenated pulse sequences can be analyzed from either viewpoint. Our results apply to Hamiltonian noise models with limited spatial correlations.

Molecular dynamics simulations of cluster fission and fusion processes

DEFF Research Database (Denmark)

Lyalin, Andrey G.; Obolensky, Oleg I.; Solov'yov, Ilia

2004-01-01

Results of molecular dynamics simulations of fission reactions Na_10^2+ --> Na_7^+ +Na_3^+ and Na_18^2+ --> 2Na_9^+ are presented. The dependence of the fission barriers on the isomer structure of the parent cluster is analyzed. It is demonstrated that the energy necessary for removing homothetic...... separation of the daughter fragments begins and/or forming a "neck" between the separating fragments. A novel algorithm for modeling the cluster growth process is described. This approach is based on dynamic search for the most stable cluster isomers and allows one to find the optimized cluster geometries...... groups of atoms from the parent cluster is largely independent of the isomer form of the parent cluster. The importance of rearrangement of the cluster structure during the fission process is elucidated. This rearrangement may include transition to another isomer state of the parent cluster before actual...

Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

Energy Technology Data Exchange (ETDEWEB)

Christov, Ivan P., E-mail: ivan.christov@phys.uni-sofia.bg

2016-08-15

In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.

Clustering promotes switching dynamics in networks of noisy neurons

Science.gov (United States)

Franović, Igor; Klinshov, Vladimir

2018-02-01

Macroscopic variability is an emergent property of neural networks, typically manifested in spontaneous switching between the episodes of elevated neuronal activity and the quiescent episodes. We investigate the conditions that facilitate switching dynamics, focusing on the interplay between the different sources of noise and heterogeneity of the network topology. We consider clustered networks of rate-based neurons subjected to external and intrinsic noise and derive an effective model where the network dynamics is described by a set of coupled second-order stochastic mean-field systems representing each of the clusters. The model provides an insight into the different contributions to effective macroscopic noise and qualitatively indicates the parameter domains where switching dynamics may occur. By analyzing the mean-field model in the thermodynamic limit, we demonstrate that clustering promotes multistability, which gives rise to switching dynamics in a considerably wider parameter region compared to the case of a non-clustered network with sparse random connection topology.

Comment on "Modified quantum-speed-limit bounds for open quantum dynamics in quantum channels"

Science.gov (United States)

Mirkin, Nicolás; Toscano, Fabricio; Wisniacki, Diego A.

2018-04-01

In a recent paper [Phys. Rev. A 95, 052118 (2017), 10.1103/PhysRevA.95.052118], the authors claim that our criticism, in Phys. Rev. A 94, 052125 (2016), 10.1103/PhysRevA.94.052125, to some quantum speed limit bounds for open quantum dynamics that appeared recently in literature are invalid. According to the authors, the problem with our analysis would be generated by an artifact of the finite-precision numerical calculations. We analytically show here that it is not possible to have any inconsistency associated with the numerical precision of calculations. Therefore, our criticism of the quantum speed limit bounds continues to be valid.

Intermediate spectral theory and quantum dynamics

CERN Document Server

de Oliveira, Cesar R

2008-01-01

The spectral theory of linear operators plays a key role in the mathematical formulation of quantum theory. Furthermore, such a rigorous mathematical foundation leads to a more profound insight into the nature of quantum mechanics. This textbook provides a concise and comprehensible introduction to the spectral theory of (unbounded) self-adjoint operators and its application in quantum dynamics. The book places emphasis on the symbiotic relationship of these two domains by (1) presenting the basic mathematics of nonrelativistic quantum mechanics of one particle, i.e., developing the spectral theory of self-adjoint operators in infinite-dimensional Hilbert spaces from the beginning, and (2) giving an overview of many of the basic functional aspects of quantum theory, from its physical principles to the mathematical models. The book is intended for graduate (or advanced undergraduate) students and researchers interested in mathematical physics. It starts with linear operator theory, spectral questions and self-...

Geometric origin of dynamically induced freezing of quantum evolution

International Nuclear Information System (INIS)

Matos-Abiague, A.; Berakdar, J.

2006-01-01

The phenomenon of dynamical, field-induced freezing of quantum evolution is discussed. It occurs when a time-dependent state is dynamically driven in such a way that the evolution of the corresponding wave function is effectively localized within a small region in the projective Hilbert space. As a consequence, the dynamics of the system is frozen and the expectation values of all physical observables hardly change with time. Necessary and sufficient conditions for inducing dynamical freezing are inferred from a general analysis of the geometry of quantum evolution. The relevance of the dynamical freezing for a sustainable in time, dynamical control is discussed and exemplified by a study of the coherent control of the kicked rotor motion

Computer studies of multiple-quantum spin dynamics

Energy Technology Data Exchange (ETDEWEB)

Murdoch, J.B.

1982-11-01

The excitation and detection of multiple-quantum (MQ) transitions in Fourier transform NMR spectroscopy is an interesting problem in the quantum mechanical dynamics of spin systems as well as an important new technique for investigation of molecular structure. In particular, multiple-quantum spectroscopy can be used to simplify overly complex spectra or to separate the various interactions between a nucleus and its environment. The emphasis of this work is on computer simulation of spin-system evolution to better relate theory and experiment.

Computer studies of multiple-quantum spin dynamics

International Nuclear Information System (INIS)

Murdoch, J.B.

1982-11-01

The excitation and detection of multiple-quantum (MQ) transitions in Fourier transform NMR spectroscopy is an interesting problem in the quantum mechanical dynamics of spin systems as well as an important new technique for investigation of molecular structure. In particular, multiple-quantum spectroscopy can be used to simplify overly complex spectra or to separate the various interactions between a nucleus and its environment. The emphasis of this work is on computer simulation of spin-system evolution to better relate theory and experiment

Dynamical sensitivity control of a single-spin quantum sensor.

Science.gov (United States)

Lazariev, Andrii; Arroyo-Camejo, Silvia; Rahane, Ganesh; Kavatamane, Vinaya Kumar; Balasubramanian, Gopalakrishnan

2017-07-26

The Nitrogen-Vacancy (NV) defect in diamond is a unique quantum system that offers precision sensing of nanoscale physical quantities at room temperature beyond the current state-of-the-art. The benchmark parameters for nanoscale magnetometry applications are sensitivity, spectral resolution, and dynamic range. Under realistic conditions the NV sensors controlled by conventional sensing schemes suffer from limitations of these parameters. Here we experimentally show a new method called dynamical sensitivity control (DYSCO) that boost the benchmark parameters and thus extends the practical applicability of the NV spin for nanoscale sensing. In contrast to conventional dynamical decoupling schemes, where π pulse trains toggle the spin precession abruptly, the DYSCO method allows for a smooth, analog modulation of the quantum probe's sensitivity. Our method decouples frequency selectivity and spectral resolution unconstrained over the bandwidth (1.85 MHz-392 Hz in our experiments). Using DYSCO we demonstrate high-accuracy NV magnetometry without |2π| ambiguities, an enhancement of the dynamic range by a factor of 4 · 10 3 , and interrogation times exceeding 2 ms in off-the-shelf diamond. In a broader perspective the DYSCO method provides a handle on the inherent dynamics of quantum systems offering decisive advantages for NV centre based applications notably in quantum information and single molecule NMR/MRI.

Dynamics of rich clusters of galaxies. I. The Coma cluster

International Nuclear Information System (INIS)

Kent, S.M.; Gunn, J.E.

1982-01-01

The structure and dynamics of the Coma cluster are analyzed using self-consistent equilibrium dynamical models. Observational material for Coma is culled from a variety of sources. Projected surface, density, and velocity-dispersion profiles are derived extending out to a radius of 3 0 from the cluster center, which are essentially free from field contamination. Segregation of galaxies by luminosity and morphology are discussed and a quantitative estimate of the latter is made. The method of constructing self-consistent dynamical models is discussed. Four different forms of the distribution function are analyzed allowing for different possible dependences of f on energy and angular momentum. Properties of typical models that might resemble actual clusters are presented, and the importance of having velocity-dispersion information is empha sized. The effect of a central massive object such as a cD galaxy on the core structure is illustrated. A comparison of these models with Coma reveals that only models with a distribution function in which the ratio of tangential to radial velocity dispersions is everywhere constant give acceptable fits. In particular, it is possible to rule out models that have isotropic motions in the core and predominantly radial motions in the halo. For H 0 = 50, the best-fitting models give a total projected mass inside 3 0 of 2.9 x 10 15 M/sub sun/ , a core radius of 340--400 kpc (8.5'--10'), an upper limit to any central massive object of approx.10 13 M/sub sun/ , and a mass-to-blue-light ratio of M/L = 181. From cosmological considerations the cluster ''edge'' is determined to lie at rapprox.5 0 --6 0 . The possible distribution of ''dark matter'' in Coma is discussed and it is argued that this distribution cannot be significantly different from that of the galaxies. The dynamics of morphological segregation are examined quantitatively, and are explained at least qualitatively

Positive Nonlinear Dynamical Group Uniting Quantum Mechanics and Thermodynamics

OpenAIRE

Beretta, Gian Paolo

2006-01-01

We discuss and motivate the form of the generator of a nonlinear quantum dynamical group 'designed' so as to accomplish a unification of quantum mechanics (QM) and thermodynamics. We call this nonrelativistic theory Quantum Thermodynamics (QT). Its conceptual foundations differ from those of (von Neumann) quantum statistical mechanics (QSM) and (Jaynes) quantum information theory (QIT), but for thermodynamic equilibrium (TE) states it reduces to the same mathematics, and for zero entropy stat...

Small clusters: Between dynamics and thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Berry, R S

1989-06-01

The relation between equilibrium properties and dynamical properties, and between the two kinds of descriptions, is explored by examining the dynamics of isomerization of argon clusters. The same general subject, from the viewpoint of ergodicity and chaos is examined through the fractal dimension of the trajectory in phase space and the Kolmogorov entropy.

CLUSTER DYNAMICS LARGELY SHAPES PROTOPLANETARY DISK SIZES

Energy Technology Data Exchange (ETDEWEB)

Vincke, Kirsten; Pfalzner, Susanne, E-mail: kvincke@mpifr-bonn.mpg.de [Max Planck Institute for Radio Astronomy, Auf dem Hügel 69, D-53121 Bonn (Germany)

2016-09-01

To what degree the cluster environment influences the sizes of protoplanetary disks surrounding young stars is still an open question. This is particularly true for the short-lived clusters typical for the solar neighborhood, in which the stellar density and therefore the influence of the cluster environment change considerably over the first 10 Myr. In previous studies, the effect of the gas on the cluster dynamics has often been neglected; this is remedied here. Using the code NBody6++, we study the stellar dynamics in different developmental phases—embedded, expulsion, and expansion—including the gas, and quantify the effect of fly-bys on the disk size. We concentrate on massive clusters (M {sub cl} ≥ 10{sup 3}–6 ∗ 10{sup 4} M {sub Sun}), which are representative for clusters like the Orion Nebula Cluster (ONC) or NGC 6611. We find that not only the stellar density but also the duration of the embedded phase matters. The densest clusters react fastest to the gas expulsion and drop quickly in density, here 98% of relevant encounters happen before gas expulsion. By contrast, disks in sparser clusters are initially less affected, but because these clusters expand more slowly, 13% of disks are truncated after gas expulsion. For ONC-like clusters, we find that disks larger than 500 au are usually affected by the environment, which corresponds to the observation that 200 au-sized disks are common. For NGC 6611-like clusters, disk sizes are cut-down on average to roughly 100 au. A testable hypothesis would be that the disks in the center of NGC 6611 should be on average ≈20 au and therefore considerably smaller than those in the ONC.

THE DYNAMICAL STATE OF BRIGHTEST CLUSTER GALAXIES AND THE FORMATION OF CLUSTERS

International Nuclear Information System (INIS)

Coziol, R.; Andernach, H.; Caretta, C. A.; Alamo-MartInez, K. A.; Tago, E.

2009-01-01

A large sample of Abell clusters of galaxies, selected for the likely presence of a dominant galaxy, is used to study the dynamical properties of the brightest cluster members (BCMs). From visual inspection of Digitized Sky Survey images combined with redshift information we identify 1426 candidate BCMs located in 1221 different redshift components associated with 1169 different Abell clusters. This is the largest sample published so far of such galaxies. From our own morphological classification we find that ∼92% of the BCMs in our sample are early-type galaxies and 48% are of cD type. We confirm what was previously observed based on much smaller samples, namely, that a large fraction of BCMs have significant peculiar velocities. From a subsample of 452 clusters having at least 10 measured radial velocities, we estimate a median BCM peculiar velocity of 32% of their host clusters' radial velocity dispersion. This suggests that most BCMs are not at rest in the potential well of their clusters. This phenomenon is common to galaxy clusters in our sample, and not a special trait of clusters hosting cD galaxies. We show that the peculiar velocity of the BCM is independent of cluster richness and only slightly dependent on the Bautz-Morgan type. We also find a weak trend for the peculiar velocity to rise with the cluster velocity dispersion. The strongest dependence is with the morphological type of the BCM: cD galaxies tend to have lower relative peculiar velocities than elliptical galaxies. This result points to a connection between the formation of the BCMs and that of their clusters. Our data are qualitatively consistent with the merging-groups scenario, where BCMs in clusters formed first in smaller subsystems comparable to compact groups of galaxies. In this scenario, clusters would have formed recently from the mergers of many such groups and would still be in a dynamically unrelaxed state.

Quantum versus classical statistical dynamics of an ultracold Bose gas

International Nuclear Information System (INIS)

Berges, Juergen; Gasenzer, Thomas

2007-01-01

We investigate the conditions under which quantum fluctuations are relevant for the quantitative interpretation of experiments with ultracold Bose gases. This requires to go beyond the description in terms of the Gross-Pitaevskii and Hartree-Fock-Bogoliubov mean-field theories, which can be obtained as classical (statistical) field-theory approximations of the quantum many-body problem. We employ functional-integral techniques based on the two-particle irreducible (2PI) effective action. The role of quantum fluctuations is studied within the nonperturbative 2PI 1/N expansion to next-to-leading order. At this accuracy level memory integrals enter the dynamic equations, which differ for quantum and classical statistical descriptions. This can be used to obtain a classicality condition for the many-body dynamics. We exemplify this condition by studying the nonequilibrium evolution of a one-dimensional Bose gas of sodium atoms, and discuss some distinctive properties of quantum versus classical statistical dynamics

Protected quantum computing: interleaving gate operations with dynamical decoupling sequences.

Science.gov (United States)

Zhang, Jingfu; Souza, Alexandre M; Brandao, Frederico Dias; Suter, Dieter

2014-02-07

Implementing precise operations on quantum systems is one of the biggest challenges for building quantum devices in a noisy environment. Dynamical decoupling attenuates the destructive effect of the environmental noise, but so far, it has been used primarily in the context of quantum memories. Here, we experimentally demonstrate a general scheme for combining dynamical decoupling with quantum logical gate operations using the example of an electron-spin qubit of a single nitrogen-vacancy center in diamond. We achieve process fidelities >98% for gate times that are 2 orders of magnitude longer than the unprotected dephasing time T2.

Dynamics of quantum-classical differences for chaotic systems

International Nuclear Information System (INIS)

Ballentine, L.E.

2002-01-01

The differences between quantum and classical dynamics can be studied through the moments and correlations of the position and momentum variables in corresponding quantum and classical statistical states. In chaotic states the quantum-classical differences grow exponentially with an exponent that exceeds the classical Lyapunov exponent. It is shown analytically that the quantum-classical differences scale as (ℎ/2π) 2 , and that the exponent for the growth of these differences is independent of (ℎ/2π). The quantum-classical difference exponent is studied for two quartic potential models, and the results are compared with previous work on the Henon-Heiles model

Filling- and interaction-driven Mott transition. Quantum cluster calculations within self-energy-functional theory

International Nuclear Information System (INIS)

Balzer, Matthias

2008-01-01

The central goal of this thesis is the examination of strongly correlated electron systems on the basis of the two-dimensional Hubbard model. We analyze how the properties of the Mott insulator change upon doping and with interaction strength. The numerical evaluation is done using quantum cluster approximations, which allow for a thermodynamically consistent description of the ground state properties. The framework of self-energy-functional theory offers great flexibility for the construction of cluster approximations. A detailed analysis sheds light on the quality and the convergence properties of different cluster approximations within the self-energy-functional theory. We use the one-dimensional Hubbard model for these examinations and compare our results with the exact solution. In two dimensions the ground state of the particle-hole symmetric model at half-filling is an antiferromagnetic insulator, independent of the interaction strength. The inclusion of short-range spatial correlations by our cluster approach leads to a considerable improvement of the antiferromagnetic order parameter as compared to dynamical mean-field theory. In the paramagnetic phase we furthermore observe a metal-insulator transition as a function of the interaction strength, which qualitatively differs from the pure mean-field scenario. Starting from the antiferromagnetic Mott insulator a filling-controlled metal-insulator transition in a paramagnetic metallic phase can be observed. Depending on the cluster approximation used an antiferromagnetic metallic phase may occur at first. In addition to long-range antiferromagnetic order, we also considered superconductivity in our calculations. The superconducting order parameter as a function of doping is in good agreement with other numerical methods, as well as with experimental results. (orig.)

Open Cluster Dynamics via Fundamental Plane

Science.gov (United States)

Lin, Chien-Cheng; Pang, Xiao-Ying

2018-04-01

Open clusters (OCs) are important objects for stellar dynamics studies. The short survival timescale of OCs makes them closely related to the formation of Galactic field stars. We motivate to investigate the dynamical evolution of OCs on the aspect of internal effect and the external influence. Firstly, we make use of the known OC catalog to obtain OCs masses, effective radii. Additionally, we estimate OCs kinematics properties by OC members cross-matched with radial velocity and metallicity from SDSSIV/APOGEE2. We then establish the fundamental plane of OCs based on the radial velocity dispersion, the effective radius, and average surface brightness. The deviation of the fundamental plane from the Virial Plane, so called the tilt, and the r.m.s. dispersion of OCs around the average plane are used to indicate the dynamical status of OCs. Parameters of the fitted plane will vary with cluster age and distance.

Higher-order spin and charge dynamics in a quantum dot-lead hybrid system.

Science.gov (United States)

Otsuka, Tomohiro; Nakajima, Takashi; Delbecq, Matthieu R; Amaha, Shinichi; Yoneda, Jun; Takeda, Kenta; Allison, Giles; Stano, Peter; Noiri, Akito; Ito, Takumi; Loss, Daniel; Ludwig, Arne; Wieck, Andreas D; Tarucha, Seigo

2017-09-22

Understanding the dynamics of open quantum systems is important and challenging in basic physics and applications for quantum devices and quantum computing. Semiconductor quantum dots offer a good platform to explore the physics of open quantum systems because we can tune parameters including the coupling to the environment or leads. Here, we apply the fast single-shot measurement techniques from spin qubit experiments to explore the spin and charge dynamics due to tunnel coupling to a lead in a quantum dot-lead hybrid system. We experimentally observe both spin and charge time evolution via first- and second-order tunneling processes, and reveal the dynamics of the spin-flip through the intermediate state. These results enable and stimulate the exploration of spin dynamics in dot-lead hybrid systems, and may offer useful resources for spin manipulation and simulation of open quantum systems.

Spin dynamics in a two-dimensional quantum gas

DEFF Research Database (Denmark)

Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank

2014-01-01

We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...

Dynamical singularities of glassy systems in a quantum quench.

Science.gov (United States)

Obuchi, Tomoyuki; Takahashi, Kazutaka

2012-11-01

We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a freezing transition at some critical time. The behavior is understood by the partition-function zeros in the complex temperature plane. We discuss the properties of the freezing phase as a dynamical chaotic phase, which are contrasted to those of the spin-glass phase in the static system.

Trapping photons on the line: controllable dynamics of a quantum walk

Science.gov (United States)

Xue, Peng; Qin, Hao; Tang, Bao

2014-04-01

Optical interferometers comprising birefringent-crystal beam displacers, wave plates, and phase shifters serve as stable devices for simulating quantum information processes such as heralded coined quantum walks. Quantum walks are important for quantum algorithms, universal quantum computing circuits, quantum transport in complex systems, and demonstrating intriguing nonlinear dynamical quantum phenomena. We introduce fully controllable polarization-independent phase shifters in optical pathes in order to realize site-dependent phase defects. The effectiveness of our interferometer is demonstrated through realizing single-photon quantum-walk dynamics in one dimension. By applying site-dependent phase defects, the translational symmetry of an ideal standard quantum walk is broken resulting in localization effect in a quantum walk architecture. The walk is realized for different site-dependent phase defects and coin settings, indicating the strength of localization signature depends on the level of phase due to site-dependent phase defects and coin settings and opening the way for the implementation of a quantum-walk-based algorithm.

Optimal dynamics for quantum-state and entanglement transfer through homogeneous quantum systems

International Nuclear Information System (INIS)

Banchi, L.; Apollaro, T. J. G.; Cuccoli, A.; Vaia, R.; Verrucchi, P.

2010-01-01

The capability of faithfully transmit quantum states and entanglement through quantum channels is one of the key requirements for the development of quantum devices. Different solutions have been proposed to accomplish such a challenging task, which, however, require either an ad hoc engineering of the internal interactions of the physical system acting as the channel or specific initialization procedures. Here we show that optimal dynamics for efficient quantum-state and entanglement transfer can be attained in generic quantum systems with homogeneous interactions by tuning the coupling between the system and the two attached qubits. We devise a general procedure to determine the optimal coupling, and we explicitly implement it in the case of a channel consisting of a spin-(1/2)XY chain. The quality of quantum-state and entanglement transfer is found to be very good and, remarkably, almost independent of the channel length.

Quantum Information Biology: From Theory of Open Quantum Systems to Adaptive Dynamics

Science.gov (United States)

Asano, Masanari; Basieva, Irina; Khrennikov, Andrei; Ohya, Masanori; Tanaka, Yoshiharu; Yamato, Ichiro

This chapter reviews quantum(-like) information biology (QIB). Here biology is treated widely as even covering cognition and its derivatives: psychology and decision making, sociology, and behavioral economics and finances. QIB provides an integrative description of information processing by bio-systems at all scales of life: from proteins and cells to cognition, ecological and social systems. Mathematically QIB is based on the theory of adaptive quantum systems (which covers also open quantum systems). Ideologically QIB is based on the quantum-like (QL) paradigm: complex bio-systems process information in accordance with the laws of quantum information and probability. This paradigm is supported by plenty of statistical bio-data collected at all bio-scales. QIB re ects the two fundamental principles: a) adaptivity; and, b) openness (bio-systems are fundamentally open). In addition, quantum adaptive dynamics provides the most generally possible mathematical representation of these principles.

Analytic Characterization of the Dynamic Regimes of Quantum-Dot Lasers

Directory of Open Access Journals (Sweden)

Benjamin Lingnau

2015-04-01

Full Text Available We present analytic treatment of the three different dynamic regimes found in quantum-dot laser turn-on and modulation dynamics. A dynamic coupling, and thus density-dependent scattering lifetimes between dots and reservoir, are identified to be crucial for a realistic modeling. We derive a minimal model for the quantum-dot laser dynamics that can be seeded with experimentally accessible parameters, and give explicit analytic equations that are able to predict relaxation-oscillation frequency and damping rate.

Innovation, learning and cluster dynamics

NARCIS (Netherlands)

B. Nooteboom (Bart)

2004-01-01

textabstractThis chapter offers a theory and method for the analysis of the dynamics, i.e. the development, of clusters for innovation. It employs an analysis of three types of embedding: institutional embedding, which is often localized, structural embedding (network structure), and relational

Dynamics of classical and quantum fields an introduction

CERN Document Server

Setlur, Girish S

2014-01-01

Dynamics of Classical and Quantum Fields: An Introduction focuses on dynamical fields in non-relativistic physics. Written by a physicist for physicists, the book is designed to help readers develop analytical skills related to classical and quantum fields at the non-relativistic level, and think about the concepts and theory through numerous problems. In-depth yet accessible, the book presents new and conventional topics in a self-contained manner that beginners would find useful. A partial list of topics covered includes: Geometrical meaning of Legendre transformation in classical mechanics Dynamical symmetries in the context of Noether's theorem The derivation of the stress energy tensor of the electromagnetic field, the expression for strain energy in elastic bodies, and the Navier Stokes equation Concepts of right and left movers in case of a Fermi gas explained Functional integration is interpreted as a limit of a sequence of ordinary integrations Path integrals for one and two quantum particles and for...

Spatial cluster detection using dynamic programming

Directory of Open Access Journals (Sweden)

Sverchkov Yuriy

2012-03-01

Full Text Available Abstract Background The task of spatial cluster detection involves finding spatial regions where some property deviates from the norm or the expected value. In a probabilistic setting this task can be expressed as finding a region where some event is significantly more likely than usual. Spatial cluster detection is of interest in fields such as biosurveillance, mining of astronomical data, military surveillance, and analysis of fMRI images. In almost all such applications we are interested both in the question of whether a cluster exists in the data, and if it exists, we are interested in finding the most accurate characterization of the cluster. Methods We present a general dynamic programming algorithm for grid-based spatial cluster detection. The algorithm can be used for both Bayesian maximum a-posteriori (MAP estimation of the most likely spatial distribution of clusters and Bayesian model averaging over a large space of spatial cluster distributions to compute the posterior probability of an unusual spatial clustering. The algorithm is explained and evaluated in the context of a biosurveillance application, specifically the detection and identification of Influenza outbreaks based on emergency department visits. A relatively simple underlying model is constructed for the purpose of evaluating the algorithm, and the algorithm is evaluated using the model and semi-synthetic test data. Results When compared to baseline methods, tests indicate that the new algorithm can improve MAP estimates under certain conditions: the greedy algorithm we compared our method to was found to be more sensitive to smaller outbreaks, while as the size of the outbreaks increases, in terms of area affected and proportion of individuals affected, our method overtakes the greedy algorithm in spatial precision and recall. The new algorithm performs on-par with baseline methods in the task of Bayesian model averaging. Conclusions We conclude that the dynamic

Slow dynamics in translation-invariant quantum lattice models

Science.gov (United States)

Michailidis, Alexios A.; Žnidarič, Marko; Medvedyeva, Mariya; Abanin, Dmitry A.; Prosen, Tomaž; Papić, Z.

2018-03-01

Many-body quantum systems typically display fast dynamics and ballistic spreading of information. Here we address the open problem of how slow the dynamics can be after a generic breaking of integrability by local interactions. We develop a method based on degenerate perturbation theory that reveals slow dynamical regimes and delocalization processes in general translation invariant models, along with accurate estimates of their delocalization time scales. Our results shed light on the fundamental questions of the robustness of quantum integrable systems and the possibility of many-body localization without disorder. As an example, we construct a large class of one-dimensional lattice models where, despite the absence of asymptotic localization, the transient dynamics is exceptionally slow, i.e., the dynamics is indistinguishable from that of many-body localized systems for the system sizes and time scales accessible in experiments and numerical simulations.

Lieb-Liniger-like model of quantum solvation in CO-{sup 4}He{sub N} clusters

Energy Technology Data Exchange (ETDEWEB)

Farrelly, D. [Departamento de Matemáticas y Computación, Universidad de La Rioja, 26006 Logroño (Spain); Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322-0300 (United States); Iñarrea, M.; Salas, J. P. [Área de Física Aplicada, Universidad de La Rioja, 26006 Logroño (Spain); Lanchares, V. [Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322-0300 (United States)

2016-05-28

Small {sup 4}He clusters doped with various molecules allow for the study of “quantum solvation” as a function of cluster size. A peculiarity of quantum solvation is that, as the number of {sup 4}He atoms is increased from N = 1, the solvent appears to decouple from the molecule which, in turn, appears to undergo free rotation. This is generally taken to signify the onset of “microscopic superfluidity.” Currently, little is known about the quantum mechanics of the decoupling mechanism, mainly because the system is a quantum (N + 1)-body problem in three dimensions which makes computations difficult. Here, a one-dimensional model is studied in which the {sup 4}He atoms are confined to revolve on a ring and encircle a rotating CO molecule. The Lanczos algorithm is used to investigate the eigenvalue spectrum as the number of {sup 4}He atoms is varied. Substantial solvent decoupling is observed for as few as N = 5 {sup 4}He atoms. Examination of the Hamiltonian matrix, which has an almost block diagonal structure, reveals increasingly weak inter-block (solvent-molecule) coupling as the number of {sup 4}He atoms is increased. In the absence of a dopant molecule the system is similar to a Lieb-Liniger (LL) gas and we find a relatively rapid transition to the LL limit as N is increased. In essence, the molecule initially—for very small N—provides a central, if relatively weak, attraction to organize the cluster; as more {sup 4}He atoms are added, the repulsive interactions between the identical bosons start to dominate as the solvation ring (shell) becomes more crowded which causes the molecule to start to decouple. For low N, the molecule pins the atoms in place relative to itself; as N increases the atom-atom repulsion starts to dominate the Hamiltonian and the molecule decouples. We conclude that, while the notion of superfluidity is a useful and correct description of the decoupling process, a molecular viewpoint provides complementary insights into the

Dynamically Allocated Virtual Clustering Management System Users Guide

Science.gov (United States)

2016-11-01

ARL-SR-0366 ● NOV 2016 US Army Research Laboratory Dynamically Allocated Virtual Clustering Management System User’s Guide by... Clustering Management System User’s Guide by Kelvin M Marcus Computational and Information Sciences Directorate, ARL...

Phase-sensitive atomic dynamics in quantum light

Science.gov (United States)

Balybin, S. N.; Zakharov, R. V.; Tikhonova, O. V.

2018-05-01

Interaction between a quantum electromagnetic field and a model Ry atom with possible transitions to the continuum and to the low-lying resonant state is investigated. Strong sensitivity of atomic dynamics to the phase of applied coherent and squeezed vacuum light is found. Methods to extract the quantum field phase performing the measurements on the atomic system are proposed. In the case of the few-photon coherent state high accuracy of the phase determination is demonstrated, which appears to be much higher in comparison to the usually used quantum-optical methods such as homodyne detection.

Quantum dynamics and breakdown of classical realism in nonlinear oscillators

International Nuclear Information System (INIS)

Gat, Omri

2007-01-01

The leading nonclassical term in the quantum dynamics of nonlinear oscillators is calculated in the Moyal quasi-trajectory representation. The irreducibility of the quantum dynamics to phase-space trajectories is quantified by the discrepancy of the canonical quasi-flow and the quasi-flow of a general observable. This discrepancy is shown to imply the breakdown of classical realism that can give rise to a dynamical violation of Bell's inequalities. (fast track communication)

Dynamic structure factor for liquid He4 and quantum lattice model

International Nuclear Information System (INIS)

Lee, M.H.

1975-01-01

It has been realized for some time now that the quantum lattice model (or the anisotropic Heisenberg antiferromagnetic model) is a useful model for studying the properties of quantum liquids especially near the lambda transition. The static critical values calculated from the quantum lattice model are in good agreement with the observed values. Furthermore, it was shown recently that there are collective modes in the quantum lattice model which are equivalent to the plasmons. Hence, it would seem to be interesting to study the dynamic structure factor for the quantum lattice model and to make a comparison with experiment. Work on the dynamic structure factor is reported here. (Auth.)

Quantum dynamic imaging theoretical and numerical methods

CERN Document Server

Ivanov, Misha

2011-01-01

Studying and using light or "photons" to image and then to control and transmit molecular information is among the most challenging and significant research fields to emerge in recent years. One of the fastest growing areas involves research in the temporal imaging of quantum phenomena, ranging from molecular dynamics in the femto (10-15s) time regime for atomic motion to the atto (10-18s) time scale of electron motion. In fact, the attosecond "revolution" is now recognized as one of the most important recent breakthroughs and innovations in the science of the 21st century. A major participant in the development of ultrafast femto and attosecond temporal imaging of molecular quantum phenomena has been theory and numerical simulation of the nonlinear, non-perturbative response of atoms and molecules to ultrashort laser pulses. Therefore, imaging quantum dynamics is a new frontier of science requiring advanced mathematical approaches for analyzing and solving spatial and temporal multidimensional partial differ...

Verifying detailed fluctuation relations for discrete feedback-controlled quantum dynamics

Science.gov (United States)

Camati, Patrice A.; Serra, Roberto M.

2018-04-01

Discrete quantum feedback control consists of a managed dynamics according to the information acquired by a previous measurement. Energy fluctuations along such dynamics satisfy generalized fluctuation relations, which are useful tools to study the thermodynamics of systems far away from equilibrium. Due to the practical challenge to assess energy fluctuations in the quantum scenario, the experimental verification of detailed fluctuation relations in the presence of feedback control remains elusive. We present a feasible method to experimentally verify detailed fluctuation relations for discrete feedback control quantum dynamics. Two detailed fluctuation relations are developed and employed. The method is based on a quantum interferometric strategy that allows the verification of fluctuation relations in the presence of feedback control. An analytical example to illustrate the applicability of the method is discussed. The comprehensive technique introduced here can be experimentally implemented at a microscale with the current technology in a variety of experimental platforms.

Quench dynamics across quantum critical points

International Nuclear Information System (INIS)

Sengupta, K.; Powell, Stephen; Sachdev, Subir

2004-01-01

We study the quantum dynamics of a number of model systems as their coupling constants are changed rapidly across a quantum critical point. The primary motivation is provided by the recent experiments of Greiner et al. [Nature (London) 415, 39 (2002)] who studied the response of a Mott insulator of ultracold atoms in an optical lattice to a strong potential gradient. In a previous work, it had been argued that the resonant response observed at a critical potential gradient could be understood by proximity to an Ising quantum critical point describing the onset of density wave order. Here we obtain numerical results on the evolution of the density wave order as the potential gradient is scanned across the quantum critical point. This is supplemented by studies of the integrable quantum Ising spin chain in a transverse field, where we obtain exact results for the evolution of the Ising order correlations under a time-dependent transverse field. We also study the evolution of transverse superfluid order in the three-dimensional case. In all cases, the order parameter is best enhanced in the vicinity of the quantum critical point

Investigating non-Markovian dynamics of quantum open systems

Science.gov (United States)

Chen, Yusui

Quantum open system coupled to a non-Markovian environment has recently attracted widespread interest for its important applications in quantum information processing and quantum dissipative systems. New phenomena induced by the non-Markovian environment have been discovered in variety of research areas ranging from quantum optics, quantum decoherence to condensed matter physics. However, the study of the non-Markovian quantum open system is known a difficult problem due to its technical complexity in deriving the fundamental equation of motion and elusive conceptual issues involving non-equilibrium dynamics for a strong coupled environment. The main purpose of this thesis is to introduce several new techniques of solving the quantum open systems including a systematic approach to dealing with non-Markovian master equations from a generic quantum-state diffusion (QSD) equation. In the first part of this thesis, we briefly introduce the non-Markovian quantum-state diffusion approach, and illustrate some pronounced non-Markovian quantum effects through numerical investigation on a cavity-QED model. Then we extend the non-Markovian QSD theory to an interesting model where the environment has a hierarchical structure, and find out the exact non-Markovian QSD equation of this model system. We observe the generation of quantum entanglement due to the interplay between the non-Markovian environment and the cavity. In the second part, we show an innovative method to obtain the exact non-Markovian master equations for a set of generic quantum open systems based on the corresponding non-Markovian QSD equations. Multiple-qubit systems and multilevel systems are discussed in details as two typical examples. Particularly, we derive the exact master equation for a model consisting of a three-level atom coupled to an optical cavity and controlled by an external laser field. Additionally, we discuss in more general context the mathematical similarity between the multiple

Quantum Simulation of the Ultrastrong-Coupling Dynamics in Circuit Quantum Electrodynamics

Directory of Open Access Journals (Sweden)

D. Ballester

2012-05-01

Full Text Available We propose a method to get experimental access to the physics of the ultrastrong- and deep-strong-coupling regimes of light-matter interaction through the quantum simulation of their dynamics in standard circuit QED. The method makes use of a two-tone driving scheme, using state-of-the-art circuit-QED technology, and can be easily extended to general cavity-QED setups. We provide examples of ultrastrong- and deep-strong-coupling quantum effects that would be otherwise inaccessible.

Quantum critical dynamics for a prototype class of insulating antiferromagnets

Science.gov (United States)

Wu, Jianda; Yang, Wang; Wu, Congjun; Si, Qimiao

2018-06-01

Quantum criticality is a fundamental organizing principle for studying strongly correlated systems. Nevertheless, understanding quantum critical dynamics at nonzero temperatures is a major challenge of condensed-matter physics due to the intricate interplay between quantum and thermal fluctuations. The recent experiments with the quantum spin dimer material TlCuCl3 provide an unprecedented opportunity to test the theories of quantum criticality. We investigate the nonzero-temperature quantum critical spin dynamics by employing an effective O (N ) field theory. The on-shell mass and the damping rate of quantum critical spin excitations as functions of temperature are calculated based on the renormalized coupling strength and are in excellent agreement with experiment observations. Their T lnT dependence is predicted to be dominant at very low temperatures, which will be tested in future experiments. Our work provides confidence that quantum criticality as a theoretical framework, which is being considered in so many different contexts of condensed-matter physics and beyond, is indeed grounded in materials and experiments accurately. It is also expected to motivate further experimental investigations on the applicability of the field theory to related quantum critical systems.

Fast-forward of quantum adiabatic dynamics in electro-magnetic field

OpenAIRE

Masuda, Shumpei; Nakamura, Katsuhiro

2010-01-01

We show a method to accelerate quantum adiabatic dynamics of wavefunctions under electro-magnetic field by developing the previous theory (Masuda & Nakamura 2008 and 2010). Firstly we investigate the orbital dynamics of a charged particle. We derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states except for the spatially uniform phase such as the adiabatic phase in any desired short time. Fast-forward of adiabatic squeezing and tran...

Quantum dynamics on potential energy surfaces. Simpler states and simpler dynamics

Energy Technology Data Exchange (ETDEWEB)

Keller, Johannes Friedrich

2015-09-25

In this dissertation we analyze and simplify wave functions and observables in the context of quantum molecular dynamics. The two main topics we discuss are the structure of Hagedorn wave packets in position and phase space, and semiclassical approximations for the propagation of quantum expectations with nonnegative phase space densities. We provide algorithmic discretizations for these approximations and illustrate their validity and applicability by means of numerical experiments.

Gain dynamics of quantum dot devices for dual-state operation

Energy Technology Data Exchange (ETDEWEB)

Kaptan, Y., E-mail: yuecel.kaptan@physik.tu-berlin.de; Herzog, B.; Kolarczik, M.; Owschimikow, N.; Woggon, U. [Institut für Optik und Atomare Physik, Technische Universität Berlin, Berlin (Germany); Schmeckebier, H.; Arsenijević, D.; Bimberg, D. [Institut für Festkörperphysik, Technische Universität Berlin, Berlin (Germany); Mikhelashvili, V.; Eisenstein, G. [Technion Institute of Technology, Faculty of Electrical Engineering, Haifa (Israel)

2014-06-30

Ground state gain dynamics of In(Ga)As-quantum dot excited state lasers are investigated via single-color ultrafast pump-probe spectroscopy below and above lasing threshold. Two-color pump-probe experiments are used to localize lasing and non-lasing quantum dots within the inhomogeneously broadened ground state. Single-color results yield similar gain recovery rates of the ground state for lasing and non-lasing quantum dots decreasing from 6 ps to 2 ps with increasing injection current. We find that ground state gain dynamics are influenced solely by the injection current and unaffected by laser operation of the excited state. This independence is promising for dual-state operation schemes in quantum dot based optoelectronic devices.

G-Consistent Subsets and Reduced Dynamical Quantum Maps

Science.gov (United States)

Ceballos, Russell R.

A quantum system which evolves in time while interacting with an external environ- ment is said to be an open quantum system (OQS), and the influence of the environment on the unperturbed unitary evolution of the system generally leads to non-unitary dynamics. This kind of open system dynamical evolution has been typically modeled by a Standard Prescription (SP) which assumes that the state of the OQS is initially uncorrelated with the environment state. It is here shown that when a minimal set of physically motivated assumptions are adopted, not only does there exist constraints on the reduced dynamics of an OQS such that this SP does not always accurately describe the possible initial cor- relations existing between the OQS and environment, but such initial correlations, and even entanglement, can be witnessed when observing a particular class of reduced state transformations termed purity extractions are observed. Furthermore, as part of a more fundamental investigation to better understand the minimal set of assumptions required to formulate well defined reduced dynamical quantum maps, it is demonstrated that there exists a one-to-one correspondence between the set of initial reduced states and the set of admissible initial system-environment composite states when G-consistency is enforced. Given the discussions surrounding the requirement of complete positivity and the reliance on the SP, the results presented here may well be found valuable for determining the ba- sic properties of reduced dynamical maps, and when restrictions on the OQS dynamics naturally emerge.

Quantum correlated cluster mean-field theory applied to the transverse Ising model.

Science.gov (United States)

Zimmer, F M; Schmidt, M; Maziero, Jonas

2016-06-01

Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.

From Entropic Dynamics to Quantum Theory

International Nuclear Information System (INIS)

Caticha, Ariel

2009-01-01

Non-relativistic quantum theory is derived from information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the configuration space is a statistical manifold. The dynamics then follows from a principle of inference, the method of Maximum Entropy. The concept of time is introduced as a convenient way to keep track of change. The resulting theory resembles both Nelson's stochastic mechanics and general relativity. The statistical manifold is a dynamical entity: its geometry determines the evolution of the probability distribution which, in its turn, reacts back and determines the evolution of the geometry. There is a new quantum version of the equivalence principle: 'osmotic' mass equals inertial mass. Mass and the phase of the wave function are explained as features of purely statistical origin.

Dynamical Response near Quantum Critical Points.

Science.gov (United States)

Lucas, Andrew; Gazit, Snir; Podolsky, Daniel; Witczak-Krempa, William

2017-02-03

We study high-frequency response functions, notably the optical conductivity, in the vicinity of quantum critical points (QCPs) by allowing for both detuning from the critical coupling and finite temperature. We consider general dimensions and dynamical exponents. This leads to a unified understanding of sum rules. In systems with emergent Lorentz invariance, powerful methods from quantum field theory allow us to fix the high-frequency response in terms of universal coefficients. We test our predictions analytically in the large-N O(N) model and using the gauge-gravity duality and numerically via quantum Monte Carlo simulations on a lattice model hosting the interacting superfluid-insulator QCP. In superfluid phases, interacting Goldstone bosons qualitatively change the high-frequency optical conductivity and the corresponding sum rule.

Quantum dynamics in regions of quaternionic curvature

International Nuclear Information System (INIS)

Brumby, S.P.; Joshi, G.

1994-01-01

The complex unit appearing in the equations of quantum mechanics is generalised to a quaternionic structure on spacetime, leading to the consideration of complex quantum mechanical particles whose dynamical behaviour is governed by inhomogeneous Dirac and Schroedinger equations. Mixing of hyper-complex components of wavefunctions occurs through their interaction with potentials dissipative into the extra quaternionic degrees of freedom. An interferometric experiment is analysed to illustrate the effect. 11 refs

The classical and quantum dynamics of molecular spins on graphene

Science.gov (United States)

Cervetti, Christian; Rettori, Angelo; Pini, Maria Gloria; Cornia, Andrea; Repollés, Ana; Luis, Fernando; Dressel, Martin; Rauschenbach, Stephan; Kern, Klaus; Burghard, Marko; Bogani, Lapo

2016-02-01

Controlling the dynamics of spins on surfaces is pivotal to the design of spintronic and quantum computing devices. Proposed schemes involve the interaction of spins with graphene to enable surface-state spintronics and electrical spin manipulation. However, the influence of the graphene environment on the spin systems has yet to be unravelled. Here we explore the spin-graphene interaction by studying the classical and quantum dynamics of molecular magnets on graphene. Whereas the static spin response remains unaltered, the quantum spin dynamics and associated selection rules are profoundly modulated. The couplings to graphene phonons, to other spins, and to Dirac fermions are quantified using a newly developed model. Coupling to Dirac electrons introduces a dominant quantum relaxation channel that, by driving the spins over Villain’s threshold, gives rise to fully coherent, resonant spin tunnelling. Our findings provide fundamental insight into the interaction between spins and graphene, establishing the basis for electrical spin manipulation in graphene nanodevices.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators.

Science.gov (United States)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H-S; Ahn, Jaewook

2018-05-04

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Detailed Balance of Thermalization Dynamics in Rydberg-Atom Quantum Simulators

Science.gov (United States)

Kim, Hyosub; Park, YeJe; Kim, Kyungtae; Sim, H.-S.; Ahn, Jaewook

2018-05-01

Dynamics of large complex systems, such as relaxation towards equilibrium in classical statistical mechanics, often obeys a master equation that captures essential information from the complexities. Here, we find that thermalization of an isolated many-body quantum state can be described by a master equation. We observe sudden quench dynamics of quantum Ising-like models implemented in our quantum simulator, defect-free single-atom tweezers in conjunction with Rydberg-atom interaction. Saturation of their local observables, a thermalization signature, obeys a master equation experimentally constructed by monitoring the occupation probabilities of prequench states and imposing the principle of the detailed balance. Our experiment agrees with theories and demonstrates the detailed balance in a thermalization dynamics that does not require coupling to baths or postulated randomness.

Self-Sustaining Dynamical Nuclear Polarization Oscillations in Quantum Dots

DEFF Research Database (Denmark)

Rudner, Mark Spencer; Levitov, Leonid

2013-01-01

Early experiments on spin-blockaded double quantum dots revealed robust, large-amplitude current oscillations in the presence of a static (dc) source-drain bias. Despite experimental evidence implicating dynamical nuclear polarization, the mechanism has remained a mystery. Here we introduce......) and nuclear spin diffusion, which governs dynamics of the spatial profile of nuclear polarization. The proposed framework naturally explains the differences in phenomenology between vertical and lateral quantum dot structures as well as the extremely long oscillation periods....

Symmetry of quantum molecular dynamics

International Nuclear Information System (INIS)

Burenin, A.V.

2002-01-01

The paper reviews the current state-of-art in describing quantum molecular dynamics based on symmetry principles alone. This qualitative approach is of particular interest as the only method currently available for a broad and topical class of problems in the internal dynamics of molecules. Besides, a molecule is a physical system whose collective internal motions are geometrically structured, and its perturbation theory description requires a symmetry analysis of this structure. The nature of the geometrical symmetry groups crucial for the closed formulation of the qualitative approach is discussed [ru

Time-reversal symmetric work distributions for closed quantum dynamics in the histories framework

International Nuclear Information System (INIS)

Miller, Harry J D; Anders, Janet

2017-01-01

A central topic in the emerging field of quantum thermodynamics is the definition of thermodynamic work in the quantum regime. One widely used solution is to define work for a closed system undergoing non-equilibrium dynamics according to the two-point energy measurement scheme. However, due to the invasive nature of measurement the two-point quantum work probability distribution cannot describe the statistics of energy change from the perspective of the system alone. We here introduce the quantum histories framework as a method to characterise the thermodynamic properties of the unmeasured , closed dynamics. Constructing continuous power operator trajectories allows us to derive an alternative quantum work distribution for closed quantum dynamics that fulfils energy conservation and is time-reversal symmetric. This opens the possibility to compare the measured work with the unmeasured work, contrasting with the classical situation where measurement does not affect the work statistics. We find that the work distribution of the unmeasured dynamics leads to deviations from the classical Jarzynski equality and can have negative values highlighting distinctly non-classical features of quantum work. (fast track communication)

Clustering Molecular Dynamics Trajectories for Optimizing Docking Experiments

Directory of Open Access Journals (Sweden)

Renata De Paris

2015-01-01

Full Text Available Molecular dynamics simulations of protein receptors have become an attractive tool for rational drug discovery. However, the high computational cost of employing molecular dynamics trajectories in virtual screening of large repositories threats the feasibility of this task. Computational intelligence techniques have been applied in this context, with the ultimate goal of reducing the overall computational cost so the task can become feasible. Particularly, clustering algorithms have been widely used as a means to reduce the dimensionality of molecular dynamics trajectories. In this paper, we develop a novel methodology for clustering entire trajectories using structural features from the substrate-binding cavity of the receptor in order to optimize docking experiments on a cloud-based environment. The resulting partition was selected based on three clustering validity criteria, and it was further validated by analyzing the interactions between 20 ligands and a fully flexible receptor (FFR model containing a 20 ns molecular dynamics simulation trajectory. Our proposed methodology shows that taking into account features of the substrate-binding cavity as input for the k-means algorithm is a promising technique for accurately selecting ensembles of representative structures tailored to a specific ligand.

Dynamics of complex quantum systems

CERN Document Server

Akulin, Vladimir M

2014-01-01

This book gathers together a range of similar problems that can be encountered in different fields of modern quantum physics and that have common features with regard to multilevel quantum systems. The main motivation was to examine from a uniform standpoint various models and approaches that have been developed in atomic, molecular, condensed matter, chemical, laser and nuclear physics in various contexts. The book should help senior-level undergraduate, graduate students and researchers putting particular problems in these fields into a broader scientific context and thereby taking advantage of well-established techniques used in adjacent fields. This second edition has been expanded to include substantial new material (e.g. new sections on Dynamic Localization and on Euclidean Random Matrices and new chapters on Entanglement, Open Quantum Systems, and Coherence Protection). It is based on the author’s lectures at the Moscow Institute of Physics and Technology, at the CNRS Aimé Cotton Laboratory, and on ...

Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

Science.gov (United States)

Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

2015-10-01

Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

Quantum diffusion in a dynamically disordered medium

International Nuclear Information System (INIS)

Jayannavar, A.M.

1983-07-01

For a particle moving in a dynamically disordered continuum it is found that the exact quantum mechanical mean squared displacement 2 (t)> is proportional to t 3 , for t→infinity. The result differs qualitatively from the diffusive behaviour well known for the one-band lattice Hamiltonian, and is understandable in terms of momentum cut-off inherent in the lattice. Finally treatment for incorporating the friction in a quantum transport is given. (author)

Dirac particle in a box, and relativistic quantum Zeno dynamics

International Nuclear Information System (INIS)

Menon, Govind; Belyi, Sergey

2004-01-01

After developing a complete set of eigenfunctions for a Dirac particle restricted to a box, the quantum Zeno dynamics of a relativistic system is considered. The evolution of a continuously observed quantum mechanical system is governed by the theorem put forth by Misra and Sudarshan. One of the conditions for quantum Zeno dynamics to be manifest is that the Hamiltonian is semi-bounded. This Letter analyzes the effects of continuous observation of a particle whose time evolution is generated by the Dirac Hamiltonian. The theorem by Misra and Sudarshan is not applicable here since the Dirac operator is not semi-bounded

EDITORIAL: Quantum control theory for coherence and information dynamics Quantum control theory for coherence and information dynamics

Science.gov (United States)

Viola, Lorenza; Tannor, David

2011-08-01

Precisely characterizing and controlling the dynamics of realistic open quantum systems has emerged in recent years as a key challenge across contemporary quantum sciences and technologies, with implications ranging from physics, chemistry and applied mathematics to quantum information processing (QIP) and quantum engineering. Quantum control theory aims to provide both a general dynamical-system framework and a constructive toolbox to meet this challenge. The purpose of this special issue of Journal of Physics B: Atomic, Molecular and Optical Physics is to present a state-of-the-art account of recent advances and current trends in the field, as reflected in two international meetings that were held on the subject over the last summer and which motivated in part the compilation of this volume—the Topical Group: Frontiers in Open Quantum Systems and Quantum Control Theory, held at the Institute for Theoretical Atomic, Molecular and Optical Physics (ITAMP) in Cambridge, Massachusetts (USA), from 1-14 August 2010, and the Safed Workshop on Quantum Decoherence and Thermodynamics Control, held in Safed (Israel), from 22-27 August 2010. Initial developments in quantum control theory date back to (at least) the early 1980s, and have been largely inspired by the well-established mathematical framework for classical dynamical systems. As the above-mentioned meetings made clear, and as the burgeoning body of literature on the subject testifies, quantum control has grown since then well beyond its original boundaries, and has by now evolved into a highly cross-disciplinary field which, while still fast-moving, is also entering a new phase of maturity, sophistication, and integration. Two trends deserve special attention: on the one hand, a growing emphasis on control tasks and methodologies that are specifically motivated by QIP, in addition and in parallel to applications in more traditional areas where quantum coherence is nevertheless vital (such as, for instance

The formation of acetylcholine receptor clusters visualized with quantum dots

Directory of Open Access Journals (Sweden)

Peng H Benjamin

2009-07-01

Full Text Available Abstract Background Motor innervation of skeletal muscle leads to the assembly of acetylcholine receptor (AChR clusters in the postsynaptic membrane at the vertebrate neuromuscular junction (NMJ. Synaptic AChR aggregation, according to the diffusion-mediated trapping hypothesis, involves the establishment of a postsynaptic scaffold that "traps" freely diffusing receptors into forming high-density clusters. Although this hypothesis is widely cited to explain the formation of postsynaptic AChR clusters, direct evidence at molecular level is lacking. Results Using quantum dots (QDs and live cell imaging, we provide new measurements supporting the diffusion-trap hypothesis as applied to AChR cluster formation. Consistent with published works, experiments on cultured Xenopus myotomal muscle cells revealed that AChRs at clusters that formed spontaneously (pre-patterned clusters, also called hot spots and at those induced by nerve-innervation or by growth factor-coated latex beads were very stable whereas diffuse receptors outside these regions were mobile. Moreover, despite the restriction of AChR movement at sites of synaptogenic stimulation, individual receptors away from these domains continued to exhibit free diffusion, indicating that AChR clustering at NMJ does not involve an active attraction of receptors but is passive and diffusion-driven. Conclusion Single-molecular tracking using QDs has provided direct evidence that the clustering of AChRs in muscle cells in response to synaptogenic stimuli is achieved by two distinct cellular processes: the Brownian motion of receptors in the membrane and their trapping and immobilization at the synaptic specialization. This study also provides a clearer picture of the "trap" that it is not a uniformly sticky area but consists of discrete foci at which AChRs are immobilized.

Geometry-based approach to studying the semi-classical limit in quantum dynamics by the coherent states and quantum mechanics on the torus

International Nuclear Information System (INIS)

Faure, F.

1993-01-01

This thesis deals with problems linked to the study of the semi-classical limit in quantum dynamics. The first part presents a geometrical formulation which is tantamount to the time dependent variational principle. The classical dynamics is considered as an orthogonal projection of the quantum dynamics on the family of coherent states. The angle of projection provides an information on the validity of the approximation. This angle is studied in an illustrating example. In the second part, we study quantum mechanics on the torus as a phase space, and particularly degeneracies in the spectrum of Harper like models or kicked Harper like models which manifest chaotic dynamics. These models find direct applications in solid state physics, especially with the quantum Hall effect. In this study, we use the Chern index, which is a topological characterization of the localization of the eigenfunctions as some periodicity conditions are changed. The use of the Husimi distribution provides a phase space representation of the quantum states. We discuss the role played by separatrix-states, by the effects of quantum tunneling, and by a classically chaotic dynamics. (orig.)

Quantum-statistical mechanics of an atom-dimer mixture: Lee-Yang cluster expansion approach

International Nuclear Information System (INIS)

Ohkuma, Takahiro; Ueda, Masahito

2006-01-01

We use the Lee-Yang cluster expansion method to study quantum-statistical properties of a mixture of interconvertible atoms and dimers, where the dimers form in a two-body bound state of the atoms. We point out an infinite series of cluster diagrams whose summation leads to the Bose-Einstein condensation of the dimers below a critical temperature. Our theory captures some important features of a cold atom-dimer mixture such as interconversion of atoms and dimers and properties of the mixture at the unitarity limit

Quantum recurrence and fractional dynamic localization in ac-driven perfect state transfer Hamiltonians

International Nuclear Information System (INIS)

Longhi, Stefano

2014-01-01

Quantum recurrence and dynamic localization are investigated in a class of ac-driven tight-binding Hamiltonians, the Krawtchouk quantum chain, which in the undriven case provides a paradigmatic Hamiltonian model that realizes perfect quantum state transfer and mirror inversion. The equivalence between the ac-driven single-particle Krawtchouk Hamiltonian H -hat (t) and the non-interacting ac-driven bosonic junction Hamiltonian enables to determine in a closed form the quasi energy spectrum of H -hat (t) and the conditions for exact wave packet reconstruction (dynamic localization). In particular, we show that quantum recurrence, which is predicted by the general quantum recurrence theorem, is exact for the Krawtchouk quantum chain in a dense range of the driving amplitude. Exact quantum recurrence provides perfect wave packet reconstruction at a frequency which is fractional than the driving frequency, a phenomenon that can be referred to as fractional dynamic localization

Towards cosmological dynamics from loop quantum gravity

Science.gov (United States)

Li, Bao-Fei; Singh, Parampreet; Wang, Anzhong

2018-04-01

We present a systematic study of the cosmological dynamics resulting from an effective Hamiltonian, recently derived in loop quantum gravity using Thiemann's regularization and earlier obtained in loop quantum cosmology (LQC) by keeping the Lorentzian term explicit in the Hamiltonian constraint. We show that quantum geometric effects result in higher than quadratic corrections in energy density in comparison to LQC, causing a nonsingular bounce. Dynamics can be described by the Hamilton or Friedmann-Raychaudhuri equations, but the map between the two descriptions is not one to one. A careful analysis resolves the tension on symmetric versus asymmetric bounce in this model, showing that the bounce must be asymmetric and symmetric bounce is physically inconsistent, in contrast to the standard LQC. In addition, the current observations only allow a scenario where the prebounce branch is asymptotically de Sitter, similar to a quantization of the Schwarzschild interior in LQC, and the postbounce branch yields the classical general relativity. For a quadratic potential, we find that a slow-roll inflation generically happens after the bounce, which is quite similar to what happens in LQC.

Nonlinear dynamics and quantum chaos an introduction

CERN Document Server

Wimberger, Sandro

2014-01-01

The field of nonlinear dynamics and chaos has grown very much over the last few decades and is becoming more and more relevant in different disciplines. This book presents a clear and concise introduction to the field of nonlinear dynamics and chaos, suitable for graduate students in mathematics, physics, chemistry, engineering, and in natural sciences in general. It provides a thorough and modern introduction to the concepts of Hamiltonian dynamical systems' theory combining in a comprehensive way classical and quantum mechanical description. It covers a wide range of topics usually not found in similar books. Motivations of the respective subjects and a clear presentation eases the understanding. The book is based on lectures on classical and quantum chaos held by the author at Heidelberg University. It contains exercises and worked examples, which makes it ideal for an introductory course for students as well as for researchers starting to work in the field.

Linked cluster expansions for open quantum systems on a lattice

Science.gov (United States)

Biella, Alberto; Jin, Jiasen; Viyuela, Oscar; Ciuti, Cristiano; Fazio, Rosario; Rossini, Davide

2018-01-01

We propose a generalization of the linked-cluster expansions to study driven-dissipative quantum lattice models, directly accessing the thermodynamic limit of the system. Our method leads to the evaluation of the desired extensive property onto small connected clusters of a given size and topology. We first test this approach on the isotropic spin-1/2 Hamiltonian in two dimensions, where each spin is coupled to an independent environment that induces incoherent spin flips. Then we apply it to the study of an anisotropic model displaying a dissipative phase transition from a magnetically ordered to a disordered phase. By means of a Padé analysis on the series expansions for the average magnetization, we provide a viable route to locate the phase transition and to extrapolate the critical exponent for the magnetic susceptibility.

Classical plasma dynamics of Mie-oscillations in atomic clusters

Science.gov (United States)

Kull, H.-J.; El-Khawaldeh, A.

2018-04-01

Mie plasmons are of basic importance for the absorption of laser light by atomic clusters. In this work we first review the classical Rayleigh-theory of a dielectric sphere in an external electric field and Thomson’s plum-pudding model applied to atomic clusters. Both approaches allow for elementary discussions of Mie oscillations, however, they also indicate deficiencies in describing the damping mechanisms by electrons crossing the cluster surface. Nonlinear oscillator models have been widely studied to gain an understanding of damping and absorption by outer ionization of the cluster. In the present work, we attempt to address the issue of plasmon relaxation in atomic clusters in more detail based on classical particle simulations. In particular, we wish to study the role of thermal motion on plasmon relaxation, thereby extending nonlinear models of collective single-electron motion. Our simulations are particularly adopted to the regime of classical kinetics in weakly coupled plasmas and to cluster sizes extending the Debye-screening length. It will be illustrated how surface scattering leads to the relaxation of Mie oscillations in the presence of thermal motion and of electron spill-out at the cluster surface. This work is intended to give, from a classical perspective, further insight into recent work on plasmon relaxation in quantum plasmas [1].

Simulation of the dynamics of laser-cluster interaction

International Nuclear Information System (INIS)

Deiss, C.

2009-01-01

Ranging in size from a few atoms to several million atoms, clusters form a link between gases and solids. When irradiating clusters with intense femtosecond laser pulses, the production of energetic and highly charged ions, hot electrons, and extreme UV and X-ray photons, gives evidence of a very efficient energy conversion. The size of the system and the multitude of mechanisms at play provide a considerable challenge for the theoretical treatment of the interaction. In this thesis, we have developed a Classical Trajectory Monte Carlo simulation that gives insight into the particle dynamics during the interaction of laser pulses with large argon clusters (with more than 10000 atoms per cluster). Elastic electron-ion scattering, electron-electron scattering, electron-impact ionization and excitation, as well as three-body recombination and Auger decay are included via stochastic events. In a strongly simplified picture, the dynamics of the laser-cluster interaction can be summarized as follows: the intense laser field ionizes the cluster atoms and drives the population of quasi-free electrons. In collision events, further free electrons and high ionic charge states are created. As some electrons leave the cluster, the ions feel a net positive charge, and the cluster ultimately disintegrates in a Coulomb explosion. Even at moderate laser intensities (approx. 10 15 W/cm 2 ), impact ionization produces inner-shell vacancies in the cluster ions that decay by emitting characteristic X-ray radiation. The small population of fast electrons responsible for these ionization events is produced near the cluster poles, where the combination of polarization and charging of the cluster leads to strongly enhanced field strengths. We achieve a good agreement over large parameter ranges between the simulation and X-ray spectroscopy experiments. We also investigate the dependence of X-ray emission on laser intensity, pulse duration and cluster size. We find that in order to

Dissipative dynamics with the corrected propagator method. Numerical comparison between fully quantum and mixed quantum/classical simulations

International Nuclear Information System (INIS)

Gelman, David; Schwartz, Steven D.

2010-01-01

The recently developed quantum-classical method has been applied to the study of dissipative dynamics in multidimensional systems. The method is designed to treat many-body systems consisting of a low dimensional quantum part coupled to a classical bath. Assuming the approximate zeroth order evolution rule, the corrections to the quantum propagator are defined in terms of the total Hamiltonian and the zeroth order propagator. Then the corrections are taken to the classical limit by introducing the frozen Gaussian approximation for the bath degrees of freedom. The evolution of the primary part is governed by the corrected propagator yielding the exact quantum dynamics. The method has been tested on two model systems coupled to a harmonic bath: (i) an anharmonic (Morse) oscillator and (ii) a double-well potential. The simulations have been performed at zero temperature. The results have been compared to the exact quantum simulations using the surrogate Hamiltonian approach.

Exploring the nonequilibrium dynamics of ultracold quantum gases by using numerical tools

Science.gov (United States)

Heidrich-Meisner, Fabian

Numerical tools such as exact diagonalization or the density matrix renormalization group method have been vital for the study of the nonequilibrium dynamics of strongly correlated many-body systems. Moreover, they provided unique insight for the interpretation of quantum gas experiments, whenever a direct comparison with theory is possible. By considering the example of the experiment by Ronzheimer et al., in which both an interaction quench and the release of bosons from a trap into an empty optical lattice (sudden expansion) was realized, I discuss several nonequilibrium effects of strongly interacting quantum gases. These include the thermalization of a closed quantum system and its connection to the eigenstate thermalization hypothesis, nonequilibrium mass transport, dynamical fermionization, and transient phenomena such as quantum distillation or dynamical quasicondensation. I highlight the role of integrability in giving rise to ballistic transport in strongly interacting 1D systems and in determining the asymptotic state after a quantum quench. The talk concludes with a perspective on open questions concerning 2D systems and the numerical simulation of their nonequilibrium dynamics. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 801.

Lattice dynamics of impurity clusters : application to pairs

International Nuclear Information System (INIS)

Chandralekha Devi, N.; Behera, S.N.

1979-01-01

A general solution is obtained for the lattice dynamics of a cluster of n-impurity atoms using the double-time Green's function formalism. The cluster is characterized by n-mass defect and m-force constant change parameters. It is shown that this general solution for the Green's function for the n-impurity cluster can also be expressed in terms of the Green's function for the (n-1)-impurity cluster. As an application, the cluster impurity modes for a pair are calculated using the Debye model for the host lattice dynamics. The splitting of the high frequency local modes and nearly zero frequency resonant modes due to pairs show an oscillatory behaviour on varying the distance of separation between the two impurity atoms. These oscillations are most prominent for two similar impurities and get damped for two dissimilar impurities or if one of the impurities produces a force constant change. The predictions of the calculation provide qualitative explanation of the data obtained from the infrared measurements of the resonant modes in mixed crystal system of KBrsub(1-c)Clsub(c):Lisup(+) and KBrsub(1-c)Isub(c):Lisup(+). (author)

Dynamic screening and electron dynamics in low-dimensional metal systems

International Nuclear Information System (INIS)

Silkin, V.M.; Quijada, M.; Vergniory, M.G.; Alducin, M.; Borisov, A.G.; Diez Muino, R.; Juaristi, J.I.; Sanchez-Portal, D.; Chulkov, E.V.; Echenique, P.M.

2007-01-01

Recent advances in the theoretical description of dynamic screening and electron dynamics in metallic media are reviewed. The time-dependent building-up of screening in different situations is addressed. Perturbative and non-perturbative theories are used to study electron dynamics in low-dimensional systems, such as metal clusters, image states, surface states and quantum wells. Modification of the electronic lifetimes due to confinement effects is analyzed as well

Complex scattering dynamics and the quantum Hall effects

International Nuclear Information System (INIS)

Trugman, S.A.

1994-01-01

We review both classical and quantum potential scattering in two dimensions in a magnetic field, with applications to the quantum Hall effect. Classical scattering is complex, due to the approach of scattering states to an infinite number of dynamically bound states. Quantum scattering follows the classical behavior rather closely, exhibiting sharp resonances in place of the classical bound states. Extended scatterers provide a quantitative explanation for the breakdown of the QHE at a comparatively small Hall voltage as seen by Kawaji et al., and possibly for noise effects

Decoherence dynamics of two charge qubits in vertically coupled quantum dots

International Nuclear Information System (INIS)

Ben Chouikha, W.; Bennaceur, R.; Jaziri, S.

2007-01-01

The decoherence dynamics of two charge qubits in a double quantum dot is investigated theoretically. We consider the quantum dynamics of two interacting electrons in a vertically coupled quantum dot driven by an external electric field. We derive the equations of motion for the density matrix, in which the presence of an electron confined in the double dot represents one qubit. A Markovian approach to the dynamical evolution of the reduced density matrix is adopted. We evaluate the concurrence of two qubits in order to study the effect of acoustic phonons on the entanglement. We also show that the disentanglement effect depends on the double dot parameters and increases with the temperature

Structure an dynamics in cavity quantum electrodynamics

International Nuclear Information System (INIS)

Kimble, H.J.

1994-01-01

Much of the theoretical background related to the radiative processes for atoms in the presence of boundaries comes from two often disjoint areas, namely cavity quantum electrodynamics and optical bistability with two-state atoms. While the former of these areas has been associated to a large degree with studies in a perturbative domain of altered associated to a large degree with studies in a perturbative domain of altered emission processes in the presence of boundaries other than those of free space, the latter is often viewed from the perspective of hysteresis cycles and device applications. With the exception of the laser, however, perhaps the most extensive investigations of quantum statistical processes in quantum optics are to be found in the literature on bistability with two-state atoms and on cavity QED. Unfortunately, the degree of overlap of these two areas has not always been fully appreciated. This circumstance is perhaps due in part to the fact that the investigation of dynamical processes in cavity QED has had as its cornerstone the Jaynes-Cummings problem, with extensions to include, for example, small amounts of dissipation. On the other hand, a principle aspect of the bistability literature has been the study of quantum fluctuations in open systems for which dissipation plays a central role, but for which the coherent quantum dynamics of the Haynes-Cummings model are to a large measure lost due to the usual assumption of large system size and weak coupling (as in the standard theory of the laser). 132 refs., 26 figs., 1 tab

Entanglement dynamics of two-qubit systems in different quantum noises

International Nuclear Information System (INIS)

Pan Chang-Ning; Fang Jian-Shu; Li-Fei; Fang Mao-Fa

2011-01-01

The entanglement dynamics of two-qubit systems in different quantum noises are investigated by means of the operator-sum representation method. We find that, except for the amplitude damping and phase damping quantum noise, the sudden death of entanglement is always observed in different two-qubit systems with generalized amplitude damping and depolarizing quantum noise. (general)

Linear dynamical quantum systems analysis, synthesis, and control

CERN Document Server

Nurdin, Hendra I

2017-01-01

This monograph provides an in-depth treatment of the class of linear-dynamical quantum systems. The monograph presents a detailed account of the mathematical modeling of these systems using linear algebra and quantum stochastic calculus as the main tools for a treatment that emphasizes a system-theoretic point of view and the control-theoretic formulations of quantum versions of familiar problems from the classical (non-quantum) setting, including estimation and filtering, realization theory, and feedback control. Both measurement-based feedback control (i.e., feedback control by a classical system involving a continuous-time measurement process) and coherent feedback control (i.e., feedback control by another quantum system without the intervention of any measurements in the feedback loop) are treated. Researchers and graduates studying systems and control theory, quantum probability and stochastics or stochastic control whether from backgrounds in mechanical or electrical engineering or applied mathematics ...

Dynamics of Photoexcited State of Semiconductor Quantum Dots

Science.gov (United States)

Trivedi, Dhara J.

In this thesis, non-adiabatic molecular dynamics (NAMD) of excited states in semiconductor quantum dots are investigated. Nanoscale systems provide important opportunities for theory and computation for research because the experimental tools often provide an incomplete picture of the structure and/or function of nanomaterials, and theory can often fill in missing features crucial in understanding what is being measured. The simulation of NAMD is an indispensable tool for understanding complex ultrafast photoinduced processes such as charge and energy transfer, thermal relaxation, and charge recombination. Based on the state-of-the-art ab initio approaches in both the energy and time domains, the thesis presents a comprehensive discussion of the dynamical processes in quantum dots, ranging from the initial photon absorption to the final emission. We investigate the energy relaxation and transfer rates in pure and surface passivated quantum dots of different sizes. The study establishes the fundamental mechanisms of the electron and hole relaxation processes with and without hole traps. We develop and implement more accurate and efficient methods for NAMD. These methods are advantageous over the traditional ones when one encounters classically forbidden transitions. We also explore the effect of decoherence and non-adiabatic couplings on the dynamics. The results indicate significant influence on the accuracy and related computational cost of the simulated dynamics.

Quantum-Enhanced Sensing Based on Time Reversal of Nonlinear Dynamics.

Science.gov (United States)

Linnemann, D; Strobel, H; Muessel, W; Schulz, J; Lewis-Swan, R J; Kheruntsyan, K V; Oberthaler, M K

2016-07-01

We experimentally demonstrate a nonlinear detection scheme exploiting time-reversal dynamics that disentangles continuous variable entangled states for feasible readout. Spin-exchange dynamics of Bose-Einstein condensates is used as the nonlinear mechanism which not only generates entangled states but can also be time reversed by controlled phase imprinting. For demonstration of a quantum-enhanced measurement we construct an active atom SU(1,1) interferometer, where entangled state preparation and nonlinear readout both consist of parametric amplification. This scheme is capable of exhausting the quantum resource by detecting solely mean atom numbers. Controlled nonlinear transformations widen the spectrum of useful entangled states for applied quantum technologies.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

Energy Technology Data Exchange (ETDEWEB)

Bonfanti, Matteo, E-mail: matteo.bonfanti@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Jackson, Bret [Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003 (United States); Hughes, Keith H. [School of Chemistry, Bangor University, Bangor, Gwynedd LL57 2UW (United Kingdom); Burghardt, Irene [Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt/Main (Germany); Martinazzo, Rocco, E-mail: rocco.martinazzo@unimi.it [Dipartimento di Chimica, Università degli Studi di Milano, v. Golgi 19, 20133 Milano (Italy); Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Richerche, v. Golgi 19, 20133 Milano (Italy)

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

Science.gov (United States)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-09-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

Science.gov (United States)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

International Nuclear Information System (INIS)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-01-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated

Quantum dynamical semigroups and approach to equilibrium

International Nuclear Information System (INIS)

Frigerio, A.

1977-01-01

For a quantum dynamical semigroup possessing a faithful normal stationary state, some conditions are discussed, which ensure the uniqueness of the equilibrium state and/or the approach to equilibrium for arbitrary initial condition. (Auth.)

Quantum dynamics for classical systems with applications of the number operator

CERN Document Server

Bagarello, Fabio

2013-01-01

Mathematics is increasingly applied to classical problems in finance, biology, economics, and elsewhere. Quantum Dynamics for Classical Systems describes how quantum tools—the number operator in particular—can be used to create dynamical systems in which the variables are operator-valued functions and whose results explain the presented model. The book presents mathematical results and their applications to concrete systems and discusses the methods used, results obtained, and techniques developed for the proofs of the results. The central ideas of number operators are illuminated while avoiding excessive technicalities that are unnecessary for understanding and learning the various mathematical applications. The presented dynamical systems address a variety of contexts and offer clear analyses and explanations of concluded results. Additional features in Quantum Dynamics for Classical Systems include: Applications across diverse fields including stock markets and population migration as well as a uniqu...

Schemes of detecting nuclear spin correlations by dynamical decoupling based quantum sensing

Science.gov (United States)

Ma, Wen-Long Ma; Liu, Ren-Bao

Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical decoupling (DD) enhanced diamond quantum sensing has enabled NMR of single nuclear spins and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the frequency fingerprints of target nuclear spins. Such schemes, however, cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear spin clusters. Here we show that the first limitation can be overcome by using wavefunction fingerprints of target nuclear spins, which is much more sensitive than the ''frequency fingerprints'' to weak hyperfine interaction between the targets and a sensor, while the second one can be overcome by a new design of two-dimensional DD sequences composed of two sets of periodic DD sequences with different periods, which can be independently set to match two different transition frequencies. Our schemes not only offer an approach to breaking the resolution limit set by ''frequency gradients'' in conventional MRI, but also provide a standard approach to correlation spectroscopy for single-molecule NMR.

Thermalization as an invisibility cloak for fragile quantum superpositions

Science.gov (United States)

Hahn, Walter; Fine, Boris V.

2017-07-01

We propose a method for protecting fragile quantum superpositions in many-particle systems from dephasing by external classical noise. We call superpositions "fragile" if dephasing occurs particularly fast, because the noise couples very differently to the superposed states. The method consists of letting a quantum superposition evolve under the internal thermalization dynamics of the system, followed by a time-reversal manipulation known as Loschmidt echo. The thermalization dynamics makes the superposed states almost indistinguishable during most of the above procedure. We validate the method by applying it to a cluster of spins ½.

Graphics Processing Unit Accelerated Hirsch-Fye Quantum Monte Carlo

Science.gov (United States)

Moore, Conrad; Abu Asal, Sameer; Rajagoplan, Kaushik; Poliakoff, David; Caprino, Joseph; Tomko, Karen; Thakur, Bhupender; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

2012-02-01

In Dynamical Mean Field Theory and its cluster extensions, such as the Dynamic Cluster Algorithm, the bottleneck of the algorithm is solving the self-consistency equations with an impurity solver. Hirsch-Fye Quantum Monte Carlo is one of the most commonly used impurity and cluster solvers. This work implements optimizations of the algorithm, such as enabling large data re-use, suitable for the Graphics Processing Unit (GPU) architecture. The GPU's sheer number of concurrent parallel computations and large bandwidth to many shared memories takes advantage of the inherent parallelism in the Green function update and measurement routines, and can substantially improve the efficiency of the Hirsch-Fye impurity solver.

Entanglement dynamics in critical random quantum Ising chain with perturbations

Energy Technology Data Exchange (ETDEWEB)

Huang, Yichen, E-mail: ychuang@caltech.edu

2017-05-15

We simulate the entanglement dynamics in a critical random quantum Ising chain with generic perturbations using the time-evolving block decimation algorithm. Starting from a product state, we observe super-logarithmic growth of entanglement entropy with time. The numerical result is consistent with the analytical prediction of Vosk and Altman using a real-space renormalization group technique. - Highlights: • We study the dynamical quantum phase transition between many-body localized phases. • We simulate the dynamics of a very long random spin chain with matrix product states. • We observe numerically super-logarithmic growth of entanglement entropy with time.

Coherent inflationary dynamics for Bose-Einstein condensates crossing a quantum critical point

Science.gov (United States)

Feng, Lei; Clark, Logan W.; Gaj, Anita; Chin, Cheng

2018-03-01

Quantum phase transitions, transitions between many-body ground states, are of extensive interest in research ranging from condensed-matter physics to cosmology1-4. Key features of the phase transitions include a stage with rapidly growing new order, called inflation in cosmology5, followed by the formation of topological defects6-8. How inflation is initiated and evolves into topological defects remains a hot topic of debate. Ultracold atomic gas offers a pristine and tunable platform to investigate quantum critical dynamics9-21. We report the observation of coherent inflationary dynamics across a quantum critical point in driven Bose-Einstein condensates. The inflation manifests in the exponential growth of density waves and populations in well-resolved momentum states. After the inflation stage, extended coherent dynamics is evident in both real and momentum space. We present an intuitive description of the quantum critical dynamics in our system and demonstrate the essential role of phase fluctuations in the formation of topological defects.

Dynamic Characteristics Analysis and Stabilization of PV-Based Multiple Microgrid Clusters

DEFF Research Database (Denmark)

Zhao, Zhuoli; Yang, Ping; Wang, Yuewu

2018-01-01

-based multiple microgrid clusters. A detailed small-signal model for PV-based microgrid clusters considering local adaptive dynamic droop control mechanism of the voltage-source PV system is developed. The complete dynamic model is then used to access and compare the dynamic characteristics of the single...... microgrid and interconnected microgrids. In order to enhance system stability of the PV microgrid clusters, a tie-line flow and stabilization strategy is proposed to suppress the introduced interarea and local oscillations. Robustly selecting of the key control parameters is transformed to a multiobjective......As the penetration of PV generation increases, there is a growing operational demand on PV systems to participate in microgrid frequency regulation. It is expected that future distribution systems will consist of multiple microgrid clusters. However, interconnecting PV microgrids may lead to system...

Quantized Hamilton dynamics describes quantum discrete breathers in a simple way

International Nuclear Information System (INIS)

Igumenshchev, Kirill; Prezhdo, Oleg

2011-01-01

We study the localization of energy in a nonlinear coupled system, exhibiting so-called breather modes, using quantized Hamilton dynamics (QHD). Already at the lowest order, which is only twice as complex as classical mechanics, this simple semiclassical method incorporates quantum-mechanical effects. The transition between the localized and delocalized regimes is instantaneous in classical mechanics, while it is gradual due to tunneling in both quantum mechanics and QHD. In contrast to classical mechanics, which predicts an abrupt appearance of breathers, quantum mechanics and QHD show an alternation of localized and delocalized behavior in the transient region. QHD includes zero-point energy that is reflected in a shifted energy asymptote for the localized states, providing another improvement on the classical perspective. By detailed analysis of the distribution and transfer of energy within classical mechanics, QHD, and quantum dynamics, we conclude that QHD is an efficient approach that accounts for moderate quantum effects and can be used to identify quantum breathers in large nonlinear systems.

Few-Photon Model of the Optical Emission of Semiconductor Quantum Dots

Science.gov (United States)

Richter, Marten; Carmele, Alexander; Sitek, Anna; Knorr, Andreas

2009-08-01

The Jaynes-Cummings model provides a well established theoretical framework for single electron two level systems in a radiation field. Similar exactly solvable models for semiconductor light emitters such as quantum dots dominated by many particle interactions are not known. We access these systems by a generalized cluster expansion, the photon-probability cluster expansion: a reliable approach for few-photon dynamics in many body electron systems. As a first application, we discuss vacuum Rabi oscillations and show that their amplitude determines the number of electrons in the quantum dot.

Excess electrons in methanol clusters: Beyond the one-electron picture

Science.gov (United States)

Pohl, Gábor; Mones, Letif; Turi, László

2016-10-01

We performed a series of comparative quantum chemical calculations on various size negatively charged methanol clusters, ("separators=" CH 3 OH ) n - . The clusters are examined in their optimized geometries (n = 2-4), and in geometries taken from mixed quantum-classical molecular dynamics simulations at finite temperature (n = 2-128). These latter structures model potential electron binding sites in methanol clusters and in bulk methanol. In particular, we compute the vertical detachment energy (VDE) of an excess electron from increasing size methanol cluster anions using quantum chemical computations at various levels of theory including a one-electron pseudopotential model, several density functional theory (DFT) based methods, MP2 and coupled-cluster CCSD(T) calculations. The results suggest that at least four methanol molecules are needed to bind an excess electron on a hydrogen bonded methanol chain in a dipole bound state. Larger methanol clusters are able to form stronger interactions with an excess electron. The two simulated excess electron binding motifs in methanol clusters, interior and surface states, correlate well with distinct, experimentally found VDE tendencies with size. Interior states in a solvent cavity are stabilized significantly stronger than electron states on cluster surfaces. Although we find that all the examined quantum chemistry methods more or less overestimate the strength of the experimental excess electron stabilization, MP2, LC-BLYP, and BHandHLYP methods with diffuse basis sets provide a significantly better estimate of the VDE than traditional DFT methods (BLYP, B3LYP, X3LYP, PBE0). A comparison to the better performing many electron methods indicates that the examined one-electron pseudopotential can be reasonably used in simulations for systems of larger size.

Nonequilibrium carrier dynamics in self-assembled InGaAs quantum dots

International Nuclear Information System (INIS)

Wesseli, M.; Ruppert, C.; Trumm, S.; Betz, M.; Krenner, H.J.; Finley, J.J.

2006-01-01

Carrier dynamics in InGaAs/GaAs quantum dots is analyzed with highly sensitive femtosecond transmission spectroscopy. In a first step, measurements on a large ensemble of nanoislands reveal the dynamical electronic filling of quantum dots from the surrounding wetting layer. Most interestingly, we find a spin-preserving phonon mediated scattering into fully localized states within a few picoseconds. Then, individual artificial atoms are isolated with metallic shadow masks. For the first time, a single self-assembled quantum dot is addressed in an ultrafast transmission experiment. We find bleaching signals in the order of 10 -5 that arise from individual interband transitions of one quantum dot. As a result, we have developed an ultrafast optical tool for both manipulation and read-out of a single self-assembled quantum dot. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Quantum-classical transition in the electron dynamics of thin metal films

International Nuclear Information System (INIS)

Jasiak, R; Manfredi, G; Hervieux, P-A; Haefele, M

2009-01-01

The quantum electrons dynamics in a thin metal film is studied numerically using the self-consistent Wigner-Poisson equations. The initial equilibrium is computed from the Kohn-Sham equations at finite temperature, and then mapped into the phase-space Wigner function. The time-dependent results are compared systematically with those obtained previously with a classical approach (Vlasov-Poisson equations). It is found that, for large excitations, the quantum and classical dynamics display the same low-frequency oscillations due to ballistic electrons bouncing back and forth on the film surfaces. However, below a certain excitation energy (roughly corresponding to one quantum of plasmon energy ℎω p ), the quantum and classical results diverge, and the ballistic oscillations are no longer observed. These results provide an example of a quantum-classical transition that may be observed with current pump-probe experiments on thin metal films.

Intermittency and dynamical Lee-Yang zeros of open quantum systems.

Science.gov (United States)

Hickey, James M; Flindt, Christian; Garrahan, Juan P

2014-12-01

We use high-order cumulants to investigate the Lee-Yang zeros of generating functions of dynamical observables in open quantum systems. At long times the generating functions take on a large-deviation form with singularities of the associated cumulant generating functions-or dynamical free energies-signifying phase transitions in the ensemble of dynamical trajectories. We consider a driven three-level system as well as the dissipative Ising model. Both systems exhibit dynamical intermittency in the statistics of quantum jumps. From the short-time behavior of the dynamical Lee-Yang zeros, we identify critical values of the counting field which we attribute to the observed intermittency and dynamical phase coexistence. Furthermore, for the dissipative Ising model we construct a trajectory phase diagram and estimate the value of the transverse field where the stationary state changes from being ferromagnetic (inactive) to paramagnetic (active).

The conceptual framework of quantum field theory

CERN Document Server

Duncan, Anthony

2012-01-01

The book attempts to provide an introduction to quantum field theory emphasizing conceptual issues frequently neglected in more "utilitarian" treatments of the subject. The book is divided into four parts, entitled respectively "Origins", "Dynamics", "Symmetries", and "Scales". The emphasis is conceptual - the aim is to build the theory up systematically from some clearly stated foundational concepts - and therefore to a large extent anti-historical, but two historical Chapters ("Origins") are included to situate quantum field theory in the larger context of modern physical theories. The three remaining sections of the book follow a step by step reconstruction of this framework beginning with just a few basic assumptions: relativistic invariance, the basic principles of quantum mechanics, and the prohibition of physical action at a distance embodied in the clustering principle. The "Dynamics" section of the book lays out the basic structure of quantum field theory arising from the sequential insertion of quan...

Quantum simulation of superconductors on quantum computers. Toward the first applications of quantum processors

Energy Technology Data Exchange (ETDEWEB)

Dallaire-Demers, Pierre-Luc

2016-10-07

Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to counter-intuitive macroscopic phenomena such as high-temperature superconductivity. Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model. In general, no closed-form solution is known for lattices of more than one spatial dimension, but they can be numerically approximated using cluster methods. To model long-range effects such as order parameters, a powerful method to compute the cluster's Green's function consists in finding its self-energy through a variational principle. As is shown in this thesis, this allows the possibility of studying various phase transitions at finite temperature in the Fermi-Hubbard model. However, a classical cluster solver quickly hits an exponential wall in the memory (or computation time) required to store the computation variables. We show theoretically that the cluster solver can be mapped to a subroutine on a quantum computer whose quantum memory usage scales linearly with the number of orbitals in the simulated cluster and the number of measurements scales quadratically. We also provide a gate decomposition of the cluster Hamiltonian and a simple planar architecture for a quantum simulator that can also be used to simulate more general fermionic systems. We briefly analyze the Trotter-Suzuki errors and estimate the scaling properties of the algorithm for more complex applications. A quantum computer with a few tens of qubits could therefore simulate the thermodynamic properties of complex fermionic lattices inaccessible to classical supercomputers.

Quantum simulation of superconductors on quantum computers. Toward the first applications of quantum processors

International Nuclear Information System (INIS)

Dallaire-Demers, Pierre-Luc

2016-01-01

Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to counter-intuitive macroscopic phenomena such as high-temperature superconductivity. Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model. In general, no closed-form solution is known for lattices of more than one spatial dimension, but they can be numerically approximated using cluster methods. To model long-range effects such as order parameters, a powerful method to compute the cluster's Green's function consists in finding its self-energy through a variational principle. As is shown in this thesis, this allows the possibility of studying various phase transitions at finite temperature in the Fermi-Hubbard model. However, a classical cluster solver quickly hits an exponential wall in the memory (or computation time) required to store the computation variables. We show theoretically that the cluster solver can be mapped to a subroutine on a quantum computer whose quantum memory usage scales linearly with the number of orbitals in the simulated cluster and the number of measurements scales quadratically. We also provide a gate decomposition of the cluster Hamiltonian and a simple planar architecture for a quantum simulator that can also be used to simulate more general fermionic systems. We briefly analyze the Trotter-Suzuki errors and estimate the scaling properties of the algorithm for more complex applications. A quantum computer with a few tens of qubits could therefore simulate the thermodynamic properties of complex fermionic lattices inaccessible to classical supercomputers.

Quantum Computation and Quantum Spin Dynamics

NARCIS (Netherlands)

Raedt, Hans De; Michielsen, Kristel; Hams, Anthony; Miyashita, Seiji; Saito, Keiji

2001-01-01

We analyze the stability of quantum computations on physically realizable quantum computers by simulating quantum spin models representing quantum computer hardware. Examples of logically identical implementations of the controlled-NOT operation are used to demonstrate that the results of a quantum

Geometry from dynamics, classical and quantum

CERN Document Server

Cariñena, José F; Marmo, Giuseppe; Morandi, Giuseppe

2015-01-01

This book describes, by using elementary techniques, how some geometrical structures widely used today in many areas of physics, like symplectic, Poisson, Lagrangian, Hermitian, etc., emerge from dynamics. It is assumed that what can be accessed in actual experiences when studying a given system is just its dynamical behavior that is described by using a family of variables ("observables" of the system).   The book departs from the principle that ''dynamics is first'', and then tries to answer in what sense the sole dynamics determines the geometrical structures that have proved so useful to describe the dynamics in so many important instances. In this vein it is shown that most of the geometrical structures that are used in the standard presentations of classical dynamics (Jacobi, Poisson, symplectic, Hamiltonian, Lagrangian) are determined, though in general not uniquely, by the dynamics alone. The same program is accomplished for the geometrical structures relevant to describe quantum dynamics.  Finall...

Dynamically allocated virtual clustering management system

Science.gov (United States)

Marcus, Kelvin; Cannata, Jess

2013-05-01

The U.S Army Research Laboratory (ARL) has built a "Wireless Emulation Lab" to support research in wireless mobile networks. In our current experimentation environment, our researchers need the capability to run clusters of heterogeneous nodes to model emulated wireless tactical networks where each node could contain a different operating system, application set, and physical hardware. To complicate matters, most experiments require the researcher to have root privileges. Our previous solution of using a single shared cluster of statically deployed virtual machines did not sufficiently separate each user's experiment due to undesirable network crosstalk, thus only one experiment could be run at a time. In addition, the cluster did not make efficient use of our servers and physical networks. To address these concerns, we created the Dynamically Allocated Virtual Clustering management system (DAVC). This system leverages existing open-source software to create private clusters of nodes that are either virtual or physical machines. These clusters can be utilized for software development, experimentation, and integration with existing hardware and software. The system uses the Grid Engine job scheduler to efficiently allocate virtual machines to idle systems and networks. The system deploys stateless nodes via network booting. The system uses 802.1Q Virtual LANs (VLANs) to prevent experimentation crosstalk and to allow for complex, private networks eliminating the need to map each virtual machine to a specific switch port. The system monitors the health of the clusters and the underlying physical servers and it maintains cluster usage statistics for historical trends. Users can start private clusters of heterogeneous nodes with root privileges for the duration of the experiment. Users also control when to shutdown their clusters.

Dynamics of quantum measurements employing two Curie-Weiss apparatuses

Science.gov (United States)

Perarnau-Llobet, Martí; Nieuwenhuizen, Theodorus Maria

2017-10-01

Two types of quantum measurements, measuring the spins of an entangled pair and attempting to measure a spin at either of two positions, are analysed dynamically by apparatuses of the Curie-Weiss type. The outcomes comply with the standard postulates. This article is part of the themed issue `Second quantum revolution: foundational questions'.

Experimental realization of a quantum game on a one-way quantum computer

International Nuclear Information System (INIS)

Prevedel, Robert; Stefanov, Andre; Walther, Philip; Zeilinger, Anton

2007-01-01

We report the first demonstration of a quantum game on an all-optical one-way quantum computer. Following a recent theoretical proposal we implement a quantum version of Prisoner's Dilemma, where the quantum circuit is realized by a four-qubit box-cluster configuration and the player's local strategies by measurements performed on the physical qubits of the cluster. This demonstration underlines the strength and versatility of the one-way model and we expect that this will trigger further interest in designing quantum protocols and algorithms to be tested in state-of-the-art cluster resources

Ananke: temporal clustering reveals ecological dynamics of microbial communities

Directory of Open Access Journals (Sweden)

Michael W. Hall

2017-09-01

Full Text Available Taxonomic markers such as the 16S ribosomal RNA gene are widely used in microbial community analysis. A common first step in marker-gene analysis is grouping genes into clusters to reduce data sets to a more manageable size and potentially mitigate the effects of sequencing error. Instead of clustering based on sequence identity, marker-gene data sets collected over time can be clustered based on temporal correlation to reveal ecologically meaningful associations. We present Ananke, a free and open-source algorithm and software package that complements existing sequence-identity-based clustering approaches by clustering marker-gene data based on time-series profiles and provides interactive visualization of clusters, including highlighting of internal OTU inconsistencies. Ananke is able to cluster distinct temporal patterns from simulations of multiple ecological patterns, such as periodic seasonal dynamics and organism appearances/disappearances. We apply our algorithm to two longitudinal marker gene data sets: faecal communities from the human gut of an individual sampled over one year, and communities from a freshwater lake sampled over eleven years. Within the gut, the segregation of the bacterial community around a food-poisoning event was immediately clear. In the freshwater lake, we found that high sequence identity between marker genes does not guarantee similar temporal dynamics, and Ananke time-series clusters revealed patterns obscured by clustering based on sequence identity or taxonomy. Ananke is free and open-source software available at https://github.com/beiko-lab/ananke.

Coupled electron-phonon transport from molecular dynamics with quantum baths

DEFF Research Database (Denmark)

Lu, Jing Tao; Wang, J. S.

2009-01-01

Based on generalized quantum Langevin equations for the tight-binding wavefunction amplitudes and lattice displacements, electron and phonon quantum transport are obtained exactly using molecular dynamics (MD) in the ballistic regime. The electron-phonon interactions can be handled with a quasi...

Quantum versus classical dynamics in the optical centrifuge

Science.gov (United States)

Armon, Tsafrir; Friedland, Lazar

2017-09-01

The interplay between classical and quantum-mechanical evolution in the optical centrifuge (OC) is discussed. The analysis is based on the quantum-mechanical formalism starting from either the ground state or a thermal ensemble. Two resonant mechanisms are identified, i.e., the classical autoresonance and the quantum-mechanical ladder climbing, yielding different dynamics and rotational excitation efficiencies. The rotating-wave approximation is used to analyze the two resonant regimes in the associated dimensionless two-parameter space and calculate the OC excitation efficiency. The results show good agreement between numerical simulations and theory and are relevant to existing experimental setups.

Measure theoretical approach to recurrent properties for quantum dynamics

International Nuclear Information System (INIS)

Otobe, Yoshiki; Sasaki, Itaru

2011-01-01

Poincaré's recurrence theorem, which states that every Hamiltonian dynamics enclosed in a finite volume returns to its initial position as close as one wishes, is a mathematical basis of statistical mechanics. It is Liouville's theorem that guarantees that the dynamics preserves the volume on the state space. A quantum version of Poincaré's theorem was obtained in the middle of the 20th century without any volume structures of the state space (Hilbert space). One of our aims in this paper is to establish such properties of quantum dynamics from an analog of Liouville's theorem, namely, we will construct a natural probability measure on the Hilbert space from a Hamiltonian defined on the space. Then we will show that the measure is invariant under the corresponding Schrödinger flow. Moreover, we show that the dynamics naturally causes an infinite-dimensional Weyl transformation. It also enables us to discuss the ergodic properties of such dynamics. (paper)

Measure theoretical approach to recurrent properties for quantum dynamics

Energy Technology Data Exchange (ETDEWEB)

Otobe, Yoshiki [Department of Mathematical Sciences, Shinshu University, Asahi 3-1-1, Matsumoto 390-8621 (Japan); Sasaki, Itaru, E-mail: otobe@math.shinshu-u.ac.jp, E-mail: isasaki@shinshu-u.ac.jp [Fiber-Nanotech Young Researcher Empowerment Center, Shinshu University, Asahi 3-1-1, Matsumoto 390-8621 (Japan)

2011-11-18

Poincare's recurrence theorem, which states that every Hamiltonian dynamics enclosed in a finite volume returns to its initial position as close as one wishes, is a mathematical basis of statistical mechanics. It is Liouville's theorem that guarantees that the dynamics preserves the volume on the state space. A quantum version of Poincare's theorem was obtained in the middle of the 20th century without any volume structures of the state space (Hilbert space). One of our aims in this paper is to establish such properties of quantum dynamics from an analog of Liouville's theorem, namely, we will construct a natural probability measure on the Hilbert space from a Hamiltonian defined on the space. Then we will show that the measure is invariant under the corresponding Schroedinger flow. Moreover, we show that the dynamics naturally causes an infinite-dimensional Weyl transformation. It also enables us to discuss the ergodic properties of such dynamics. (paper)

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

Science.gov (United States)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

Science.gov (United States)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Entropic dynamics: From entropy and information geometry to Hamiltonians and quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Caticha, Ariel; Bartolomeo, Daniel [Department of Physics, University at Albany-SUNY, Albany, NY 12222 (United States); Reginatto, Marcel [Physicalisch-Technische Bundesanstalt, 38116 Braunschweig (Germany)

2015-01-13

Entropic Dynamics is a framework in which quantum theory is derived as an application of entropic methods of inference. There is no underlying action principle. Instead, the dynamics is driven by entropy subject to the appropriate constraints. In this paper we show how a Hamiltonian dynamics arises as a type of non-dissipative entropic dynamics. We also show that the particular form of the 'quantum potential' that leads to the Schrödinger equation follows naturally from information geometry.

Entropic dynamics: From entropy and information geometry to Hamiltonians and quantum mechanics

International Nuclear Information System (INIS)

Caticha, Ariel; Bartolomeo, Daniel; Reginatto, Marcel

2015-01-01

Entropic Dynamics is a framework in which quantum theory is derived as an application of entropic methods of inference. There is no underlying action principle. Instead, the dynamics is driven by entropy subject to the appropriate constraints. In this paper we show how a Hamiltonian dynamics arises as a type of non-dissipative entropic dynamics. We also show that the particular form of the 'quantum potential' that leads to the Schrödinger equation follows naturally from information geometry

Sensitivity evaluation of dynamic speckle activity measurements using clustering methods

International Nuclear Information System (INIS)

Etchepareborda, Pablo; Federico, Alejandro; Kaufmann, Guillermo H.

2010-01-01

We evaluate and compare the use of competitive neural networks, self-organizing maps, the expectation-maximization algorithm, K-means, and fuzzy C-means techniques as partitional clustering methods, when the sensitivity of the activity measurement of dynamic speckle images needs to be improved. The temporal history of the acquired intensity generated by each pixel is analyzed in a wavelet decomposition framework, and it is shown that the mean energy of its corresponding wavelet coefficients provides a suited feature space for clustering purposes. The sensitivity obtained by using the evaluated clustering techniques is also compared with the well-known methods of Konishi-Fujii, weighted generalized differences, and wavelet entropy. The performance of the partitional clustering approach is evaluated using simulated dynamic speckle patterns and also experimental data.

Dynamic Extension of a Virtualized Cluster by using Cloud Resources

International Nuclear Information System (INIS)

Oberst, Oliver; Hauth, Thomas; Kernert, David; Riedel, Stephan; Quast, Günter

2012-01-01

The specific requirements concerning the software environment within the HEP community constrain the choice of resource providers for the outsourcing of computing infrastructure. The use of virtualization in HPC clusters and in the context of cloud resources is therefore a subject of recent developments in scientific computing. The dynamic virtualization of worker nodes in common batch systems provided by ViBatch serves each user with a dynamically virtualized subset of worker nodes on a local cluster. Now it can be transparently extended by the use of common open source cloud interfaces like OpenNebula or Eucalyptus, launching a subset of the virtual worker nodes within the cloud. This paper demonstrates how a dynamically virtualized computing cluster is combined with cloud resources by attaching remotely started virtual worker nodes to the local batch system.

Symmetry of quantum intramolecular dynamics

International Nuclear Information System (INIS)

Burenin, Alexander V

2002-01-01

The paper reviews the current progress in describing quantum intramolecular dynamics using merely symmetry principles as a basis. This closed qualitative approach is of particular interest because it is the only method currently available for a broad class of topical problems in the internal dynamics of molecules. Moreover, a molecule makes a physical system whose collective internal motions are geometrically structured, so that its description by perturbation methods requires a symmetry analysis of this structure. The nature of the geometrical symmetry groups crucial for the closed formulation of the qualitative approach is discussed. In particular, the point group of a molecule is of this type. (methodological notes)

Incorporation of quantum statistical features in molecular dynamics

International Nuclear Information System (INIS)

Ohnishi, Akira; Randrup, J.

1995-01-01

We formulate a method for incorporating quantum fluctuations into molecular-dynamics simulations of many-body systems, such as those employed for energetic nuclear collision processes. Based on Fermi's Golden Rule, we allow spontaneous transitions to occur between the wave packets which are not energy eigenstates. The ensuing diffusive evolution in the space of the wave packet parameters exhibits appealing physical properties, including relaxation towards quantum-statistical equilibrium. (author)

Correlated nuclear and electronic dynamics in photoionized systems studied by quantum and mixed quantum-classical approaches

International Nuclear Information System (INIS)

Li, Zheng

2014-09-01

The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe

Dynamical renormalization group approach to relaxation in quantum field theory

International Nuclear Information System (INIS)

Boyanovsky, D.; Vega, H.J. de

2003-01-01

The real time evolution and relaxation of expectation values of quantum fields and of quantum states are computed as initial value problems by implementing the dynamical renormalization group (DRG). Linear response is invoked to set up the renormalized initial value problem to study the dynamics of the expectation value of quantum fields. The perturbative solution of the equations of motion for the field expectation values of quantum fields as well as the evolution of quantum states features secular terms, namely terms that grow in time and invalidate the perturbative expansion for late times. The DRG provides a consistent framework to resum these secular terms and yields a uniform asymptotic expansion at long times. Several relevant cases are studied in detail, including those of threshold infrared divergences which appear in gauge theories at finite temperature and lead to anomalous relaxation. In these cases the DRG is shown to provide a resummation akin to Bloch-Nordsieck but directly in real time and that goes beyond the scope of Bloch-Nordsieck and Dyson resummations. The nature of the resummation program is discussed in several examples. The DRG provides a framework that is consistent, systematic, and easy to implement to study the non-equilibrium relaxational dynamics directly in real time that does not rely on the concept of quasiparticle widths

Quantum dynamics in dual spaces

International Nuclear Information System (INIS)

Sudarshan, E.C.G.

1993-01-01

Quantum mechanics gives us information about spectra of dynamical variables and transition rates including scattering cross sections. They can be exhibited as spectral information in analytically continued spaces and their duals. Quantum mechanics formulated in these generalized spaces is used to study scattering and time evolution. It is shown that the usual asymptotic condition is inadequate to deal with scattering of composite or unstable particles. Scattering theory needs amendment when the interacting system is not isospectral with the free Hamiltonian, and the amendment is formulated. Perturbation theory in generalized spaces is developed and used to study the deletion and augmentation of the spectrum of the Hamiltonian. A complete set of algebraically independent constants for an interacting system is obtained. The question of the breaking of time symmetry is discussed

One-way quantum computation via manipulation of polarization and momentum qubits in two-photon cluster states

International Nuclear Information System (INIS)

Vallone, G; Pomarico, E; De Martini, F; Mataloni, P

2008-01-01

Four-qubit cluster states of two photons entangled in polarization and linear momentum have been used to realize a complete set of single qubit rotations and the C-NOT gate for equatorial qubits with high values of fidelity. By the computational equivalence of the two degrees of freedom our result demonstrate the suitability of two photon cluster states for rapid and efficient one-way quantum computing

Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

Energy Technology Data Exchange (ETDEWEB)

de Almeida, Valmor F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Blondel, Sophie [Univ. of Tennessee, Knoxville, TN (United States); Bernholdt, David E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wirth, Brian D. [Univ. of Tennessee, Knoxville, TN (United States)

2017-06-01

The topic of this communication pertains to defect formation in irradiated solids such as plasma-facing tungsten submitted to helium implantation in fusion reactor com- ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product generation in nuclear reactors. The purpose of this progress report is to describe ef- forts towards addressing the prediction of long-time evolution of defects via continuum cluster dynamics simulation. The di culties are twofold. First, realistic, long-time dynamics in reactor conditions leads to a non-dilute di usion regime which is not accommodated by the prevailing dilute, stressless cluster dynamics theory. Second, long-time dynamics calls for a large set of species (ideally an in nite set) to capture all possible emerging defects, and this represents a computational bottleneck. Extensions beyond the dilute limit is a signi cant undertaking since no model has been advanced to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed approach to model the non-dilute limit is to monitor the appearance of a spatially localized void volume fraction in the solid matrix with a bell shape pro le and insert an explicit geometrical bubble onto the support of the bell function. The newly cre- ated internal moving boundary provides the means to account for the interfacial ux of mobile species into the bubble, and the growth of bubbles allows for coalescence phenomena which captures highly non-dilute interactions. We present a preliminary interfacial kinematic model with associated interfacial di usion transport to follow the evolution of the bubble in any number of spatial dimensions and any number of bubbles, which can be further extended to include a deformation theory. Finally we comment on a computational front-tracking method to be used in conjunction with conventional cluster dynamics simulations in the non-dilute model proposed.

Quantum dynamics in transverse-field Ising models from classical networks

Directory of Open Access Journals (Sweden)

Markus Schmitt, Markus Heyl

2018-02-01

Full Text Available The efficient representation of quantum many-body states with classical resources is a key challenge in quantum many-body theory. In this work we analytically construct classical networks for the description of the quantum dynamics in transverse-field Ising models that can be solved efficiently using Monte Carlo techniques. Our perturbative construction encodes time-evolved quantum states of spin-1/2 systems in a network of classical spins with local couplings and can be directly generalized to other spin systems and higher spins. Using this construction we compute the transient dynamics in one, two, and three dimensions including local observables, entanglement production, and Loschmidt amplitudes using Monte Carlo algorithms and demonstrate the accuracy of this approach by comparisons to exact results. We include a mapping to equivalent artificial neural networks, which were recently introduced to provide a universal structure for classical network wave functions.

From Quantum Deformations of Relativistic Symmetries to Modified Kinematics and Dynamics

International Nuclear Information System (INIS)

Lukierski, J.

2010-01-01

We present a short review describing the use of noncommutative spacetime in quantum-deformed dynamical theories: classical and quantum mechanics as well as classical and quantum field theory. We expose the role of Hopf algebras and their realizations (noncommutative modules) as important mathematical tool describing quantum-deformed symmetries: quantum Lie groups and quantum Lie algebras. We consider in some detail the most studied examples of noncommutative space-time geometry: the canonical and κ-deformed cases. Finally, we briefly describe the modifications of Einstein gravity obtained by introduction of noncommutative space-time coordinates. (author)

Quantum-classical transition in the electron dynamics of thin metal films

Energy Technology Data Exchange (ETDEWEB)

Jasiak, R; Manfredi, G; Hervieux, P-A [Institut de Physique et Chimie des Materiaux, CNRS and Universite de Strasbourg, BP 43, F-67034 Strasbourg (France); Haefele, M [INRIA Nancy Grand-Est and Institut de Recherche en Mathematiques Avancees, 7 rue Rene Descartes, F-67084 Strasbourg (France)], E-mail: Giovanni.Manfredi@ipcms.u-strasbg.fr

2009-06-15

The quantum electrons dynamics in a thin metal film is studied numerically using the self-consistent Wigner-Poisson equations. The initial equilibrium is computed from the Kohn-Sham equations at finite temperature, and then mapped into the phase-space Wigner function. The time-dependent results are compared systematically with those obtained previously with a classical approach (Vlasov-Poisson equations). It is found that, for large excitations, the quantum and classical dynamics display the same low-frequency oscillations due to ballistic electrons bouncing back and forth on the film surfaces. However, below a certain excitation energy (roughly corresponding to one quantum of plasmon energy {Dirac_h}{omega}{sub p}), the quantum and classical results diverge, and the ballistic oscillations are no longer observed. These results provide an example of a quantum-classical transition that may be observed with current pump-probe experiments on thin metal films.

Quantum dynamical effects as a singular perturbation for observables in open quasi-classical nonlinear mesoscopic systems

International Nuclear Information System (INIS)

Berman, G.P.; Borgonovi, F.; Dalvit, D.A.R.

2009-01-01

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

Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations

Science.gov (United States)

Farberovich, Oleg V.; Mazalova, Victoria L.; Soldatov, Alexander V.

2015-11-01

We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density-functional scheme for the calculation of the exchange integrals in the non-collinear spin configurations in the generalized spin Hamiltonian (GSH) with the anisotropic exchange coupling parameters linking the nickel ions with a silicon substrate. In this model the interaction of a spin qubit with substrate is considered in GSH at the calculation of exchange integrals Jij of the nanosystem Ni7-Si in the one-electron approach taking into account chemical bonds of all Si-atoms of a substrate (environment) with atoms of the Ni7-cluster. The energy pattern was found from the effective GSH Hamiltonian acting in the restricted spin space of the Ni ions by the application of the irreducible tensor operators (ITO) technique. In this paper we offer the model of the quantum solid-state N-spin qubit based on the studying of the spin structure and the spin-dynamics simulations of the 3d-metal Ni clusters on the silicon surface. The solution of the problem of the entanglement between spin states in the N-spin systems is becoming more interesting when considering clusters or molecules with a spectral gap in their density of states. For quantifying the distribution of the entanglement between the individual spin eigenvalues (modes) in the spin structure of the N-spin system we use the density of entanglement (DOE). In this study we have developed and used the advanced high-precision numerical techniques to accurately assess the details of the decoherence process governing the dynamics of the N-spin qubits interacting with a silicon surface. We have studied the Rabi oscillations to evaluate the N-spin qubits system as a function of the time and the magnetic field. We have observed the stabilized Rabi oscillations and have stabilized the quantum dynamical qubit state and Rabi driving after a fixed time (0.327 μs). The comparison of the energy pattern with the

Dynamical processes in space: Cluster results

Directory of Open Access Journals (Sweden)

C. P. Escoubet

2013-06-01

Full Text Available After 12 years of operations, the Cluster mission continues to successfully fulfil its scientific objectives. The main goal of the Cluster mission, comprised of four identical spacecraft, is to study in three dimensions small-scale plasma structures in key plasma regions of the Earth's environment: solar wind and bow shock, magnetopause, polar cusps, magnetotail, plasmasphere and auroral zone. During the course of the mission, the relative distance between the four spacecraft has been varied from 20 km to 36 000 km to study the scientific regions of interest at different scales. Since summer 2005, new multi-scale constellations have been implemented, wherein three spacecraft (C1, C2, C3 are separated by 10 000 km, while the fourth one (C4 is at a variable distance ranging between 20 km and 10 000 km from C3. Recent observations were conducted in the auroral acceleration region with the spacecraft separated by 1000s km. We present highlights of the results obtained during the last 12 years on collisionless shocks, magnetopause waves, magnetotail dynamics, plasmaspheric structures, and the auroral acceleration region. In addition, we highlight Cluster results on understanding the impact of Coronal Mass Ejections (CME on the Earth environment. We will also present Cluster data accessibility through the Cluster Science Data System (CSDS, and the Cluster Active Archive (CAA, which was implemented to provide a permanent and public archive of high resolution Cluster data from all instruments.

Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives

International Nuclear Information System (INIS)

Onodera, T; Tsuboi, H; Hatakeyama, N; Endou, A; Miyamoto, A; Miura, R; Takaba, H; Suzuki, A; Kubo, M

2010-01-01

Tribology at the atomistic and molecular levels has been theoretically studied by a classical molecular dynamics (MD) method. However, this method inherently cannot simulate the tribochemical reaction dynamics because it does not consider the electrons in nature. Although the first-principles based MD method has recently been used for understanding the chemical reaction dynamics of several molecules in the tribology field, the method cannot simulate the tribochemical reaction dynamics of a large complex system including solid surfaces and interfaces due to its huge computation costs. On the other hand, we have developed a quantum chemical MD tribochemical simulator on the basis of a hybrid tight-binding quantum chemical/classical MD method. In the simulator, the central part of the chemical reaction dynamics is calculated by the tight-binding quantum chemical MD method, and the remaining part is calculated by the classical MD method. Therefore, the developed tribochemical simulator realizes the study on tribochemical reaction dynamics of a large complex system, which cannot be treated by using the conventional classical MD or the first-principles MD methods. In this paper, we review our developed quantum chemical MD tribochemical simulator and its application to the tribochemical reaction dynamics of a few lubricant additives

Molecular hydrodynamic approach to dynamical correlations in quantum liquids

International Nuclear Information System (INIS)

Rabani, Eran; Reichman, David R.

2002-01-01

A quantum molecular hydrodynamic formalism is developed for the study of dynamics in quantum liquids. The method combines exact static input, generated by path-integral Monte Carlo, and an approximate form of the quantum memory function for the solution of the exact quantum generalized Langevin equation under consideration. This methodology is applied to the study of the spectrum of density fluctuations in liquid para-H 2 . Using a physically motivated approximation for the memory function, semiquantitative agreement is obtained for S(k,ω) in comparison to the recent experiments of Bermejo et al. [Phys. Rev. Lett. 84, 5359 (2000)]. Improvement of the methodology and future applications are discussed

Equation of state of dense plasmas: Orbital-free molecular dynamics as the limit of quantum molecular dynamics for high-Z elements

Energy Technology Data Exchange (ETDEWEB)

Danel, J.-F.; Blottiau, P.; Kazandjian, L.; Piron, R.; Torrent, M. [CEA, DAM, DIF, 91297 Arpajon (France)

2014-10-15

The applicability of quantum molecular dynamics to the calculation of the equation of state of a dense plasma is limited at high temperature by computational cost. Orbital-free molecular dynamics, based on a semiclassical approximation and possibly on a gradient correction, is a simulation method available at high temperature. For a high-Z element such as lutetium, we examine how orbital-free molecular dynamics applied to the equation of state of a dense plasma can be regarded as the limit of quantum molecular dynamics at high temperature. For the normal mass density and twice the normal mass density, we show that the pressures calculated with the quantum approach converge monotonically towards those calculated with the orbital-free approach; we observe a faster convergence when the orbital-free approach includes the gradient correction. We propose a method to obtain an equation of state reproducing quantum molecular dynamics results up to high temperatures where this approach cannot be directly implemented. With the results already obtained for low-Z plasmas, the present study opens the way for reproducing the quantum molecular dynamics pressure for all elements up to high temperatures.

Quantum Dynamics in the HMF Model

Science.gov (United States)

Plestid, Ryan; O'Dell, Duncan

2017-04-01

The Hamiltonian Mean Field (HMF) model represents a paradigm in the study of long-range interactions but has never been realized in a lab. Recently Shutz and Morigi (PRL 113) have come close but ultimately fallen short. Their proposal relied on cavity-induced interactions between atoms. If a design using cold atoms is to be successful, an understanding of quantum effects is essential. I will outline the natural quantum generalization of the HMF assuming a BEC by using a generalized Gross-Pitaevskii equation (gGPE). I will show how quantum effects modify features which are well understood in the classical model. More specifically, by working in the semi-classical regime (strong interparticle interactions) we can identify the universal features predicted by catastrophe theory dressed with quantum interference effects. The stationary states of gGPE can be solved exactly and are found to be described by self-consistent Mathieu functions. Finally, I will discuss the connection between the classical description of the dynamics in terms of the Vlassov equation, and the gGPE. We would like to thank the Government of Ontario's OGS program, NSERC, and the Perimeter Institute of Theoretical Physics.

Quantum optical device accelerating dynamic programming

OpenAIRE

Grigoriev, D.; Kazakov, A.; Vakulenko, S.

2005-01-01

In this paper we discuss analogue computers based on quantum optical systems accelerating dynamic programming for some computational problems. These computers, at least in principle, can be realized by actually existing devices. We estimate an acceleration in resolving of some NP-hard problems that can be obtained in such a way versus deterministic computers

Dynamics of star clusters

International Nuclear Information System (INIS)

Goodman, J.; Hut, P.

1985-01-01

The enigma of core collapse receives much attention in this volume. In addition, several observational papers summarize recent techniques and results and discuss the stellar dynamical implications of the enormous progress in the quality of surface photometry, proper motion studies, radial velocity determinations, as well as space-based measurements in a variety of wavelengths. The value of these Proceedings as a standard reference work is enhanced by the inclusion of two appendices, featuring English translations of two seminal papers on stellar dynamics published in Russian and not previously available in a Western language. A third appendix contains an up-to-date catalogue of observationally determined parameters of galactic globular clusters, as well as theoretically inferred parameters. This catalogue will prove to be an essential reference for phenomenonological studies and an ideal testing ground for new theoretical developments. (orig.)

Dynamics, Chemical Abundances, and ages of Globular Clusters in the Virgo Cluster of Galaxies

Science.gov (United States)

Guhathakurta, Puragra; NGVS Collaboration

2018-01-01

We present a study of the dynamics, metallicities, and ages of globular clusters (GCs) in the Next Generation Virgo cluster Survey (NGVS), a deep, multi-band (u, g, r, i, z, and Ks), wide-field (104 deg2) imaging survey carried out using the 3.6-m Canada-France-Hawaii Telescope and MegaCam imager. GC candidates were selected from the NGVS survey using photometric and image morphology criteria and these were followed up with deep, medium-resolution, multi-object spectroscopy using the Keck II 10-m telescope and DEIMOS spectrograph. The primary spectroscopic targets were candidate GC satellites of dwarf elliptical (dE) and ultra-diffuse galaxies (UDGs) in the Virgo cluster. While many objects were confirmed as GC satellites of Virgo dEs and UDGs, many turned out to be non-satellites based on their radial velocity and/or positional mismatch any identifiable Virgo cluster galaxy. We have used a combination of spectral characteristics (e.g., presence of absorption vs. emission lines), new Gaussian mixture modeling of radial velocity and sky position data, and a new extreme deconvolution analysis of ugrizKs photometry and image morphology, to classify all the objects in our sample into: (1) GC satellites of dE galaxies, (2) GC satellites of UDGs, (3) intra-cluster GCs (ICGCs) in the Virgo cluster, (4) GCs in the outer halo of the central cluster galaxy M87, (5) foreground Milky Way stars, and (6) distant background galaxies. We use these data to study the dynamics and dark matter content of dE and UDGs in the Virgo cluster, place important constraints on the nature of dE nuclei, and study the origin of ICGCs versus GCs in the remote M87 halo.We are grateful for financial support from the NSF and NASA/STScI.

Building mechanical Greenberger-Horne-Zeilinger and cluster states by harnessing optomechanical quantum steerable correlations

Science.gov (United States)

Tan, Huatang; Wei, Yanghua; Li, Gaoxiang

2017-11-01

Greenberger-Horne-Zeilinger (GHZ) and cluster states are two typical kinds of multipartite entangled states and can respectively be used for realizing quantum networks and one-way computation. We propose a feasible scheme for generating Gaussian GHZ and cluster states of multiple mechanical oscillators by pulsed cavity optomechanics. In our scheme, each optomechanical cavity is driven by a blue-detuned pulse to establish quantum steerable correlations between the cavity output field and the mechanical oscillator, and the cavity outputs are combined at a beam-splitter array with given transmissivity and reflectivity for each beam splitter. We show that by harnessing the light-mechanical steerable correlations, the mechanical GHZ and cluster states can be realized via homodyne detection on the amplitude and phase quadratures of the output fields from the beam-splitter array. These achieved mechanical entangled states can be viewed as the output states of an effective mechanical beam-splitter array with the mechanical inputs prepared in squeezed states with the light-mechanical steering. The effects of detection efficiency and thermal noise on the achieved mechanical states are investigated. The present scheme does not require externally injected squeezing and it can also be applicable to other systems such as light-atomic-ensemble interface, apart from optomechanical systems.

Dynamical topological invariant after a quantum quench

Science.gov (United States)

Yang, Chao; Li, Linhu; Chen, Shu

2018-02-01

We show how to define a dynamical topological invariant for one-dimensional two-band topological systems after a quantum quench. By analyzing general two-band models of topological insulators, we demonstrate that the reduced momentum-time manifold can be viewed as a series of submanifolds S2, and thus we are able to define a dynamical topological invariant on each of the spheres. We also unveil the intrinsic relation between the dynamical topological invariant and the difference in the topological invariant of the initial and final static Hamiltonian. By considering some concrete examples, we illustrate the calculation of the dynamical topological invariant and its geometrical meaning explicitly.

Dynamics of a pulsed continuous-variable quantum memory

DEFF Research Database (Denmark)

Dantan, Aurelien Romain; Cviklinski, Jean; Pinard, Michel

2006-01-01

We study the transfer dynamics of nonclassical fluctuations of light to the ground-state collective spin components of an atomic ensemble during a pulsed quantum memory sequence, and evaluate the relevant physical quantities to be measured in order to characterize such a quantum memory. We show...... in particular that the fluctuations stored into the atoms are emitted in temporal modes which are always different from those of the readout pulse, but which can nevertheless be retrieved efficiently using a suitable temporal mode-matching technique. We give a simple toy model—a cavity with variable...... transmission—that accounts for the behavior of the atomic quantum memory....

Quantum dynamics of fast chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Light, J.C. [Univ. of Chicago, IL (United States)

1993-12-01

The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

Multi-group dynamic quantum secret sharing with single photons

Energy Technology Data Exchange (ETDEWEB)

Liu, Hongwei [School of Science and State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Ma, Haiqiang, E-mail: hqma@bupt.edu.cn [School of Science and State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Wei, Kejin [School of Science and State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876 (China); Yang, Xiuqing [School of Science, Beijing Jiaotong University, Beijing 100044 (China); Qu, Wenxiu; Dou, Tianqi; Chen, Yitian; Li, Ruixue; Zhu, Wu [School of Science and State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876 (China)

2016-07-15

In this letter, we propose a novel scheme for the realization of single-photon dynamic quantum secret sharing between a boss and three dynamic agent groups. In our system, the boss can not only choose one of these three groups to share the secret with, but also can share two sets of independent keys with two groups without redistribution. Furthermore, the security of communication is enhanced by using a control mode. Compared with previous schemes, our scheme is more flexible and will contribute to a practical application. - Highlights: • A multi-group dynamic quantum secret sharing with single photons scheme is proposed. • Any one of the groups can be chosen to share secret through controlling the polarization of photons. • Two sets of keys can be shared simultaneously without redistribution.

Binary cluster collision dynamics and minimum energy conformations

Energy Technology Data Exchange (ETDEWEB)

Muñoz, Francisco [Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany); Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Rogan, José; Valdivia, J.A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile); Varas, A. [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Nano-Bio Spectroscopy Group, ETSF Scientific Development Centre, Departamento de Física de Materiales, Universidad del País Vasco UPV/EHU, Av. Tolosa 72, E-20018 San Sebastián (Spain); Kiwi, Miguel, E-mail: m.kiwi.t@gmail.com [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Avenida Ecuador 3493, Santiago (Chile)

2013-10-15

The collision dynamics of one Ag or Cu atom impinging on a Au{sub 12} cluster is investigated by means of DFT molecular dynamics. Our results show that the experimentally confirmed 2D to 3D transition of Au{sub 12}→Au{sub 13} is mostly preserved by the resulting planar Au{sub 12}Ag and Au{sub 12}Cu minimum energy clusters, which is quite remarkable in view of the excess energy, well larger than the 2D–3D potential barrier height. The process is accompanied by a large s−d hybridization and charge transfer from Au to Ag or Cu. The dynamics of the collision process mainly yields fusion of projectile and target, however scattering and cluster fragmentation also occur for large energies and large impact parameters. While Ag projectiles favor fragmentation, Cu favors scattering due to its smaller mass. The projectile size does not play a major role in favoring the fragmentation or scattering channels. By comparing our collision results with those obtained by an unbiased minimum energy search of 4483 Au{sub 12}Ag and 4483 Au{sub 12}Cu configurations obtained phenomenologically, we find that there is an extra bonus: without increase of computer time collisions yield the planar lower energy structures that are not feasible to obtain using semi-classical potentials. In fact, we conclude that phenomenological potentials do not even provide adequate seeds for the search of global energy minima for planar structures. Since the fabrication of nanoclusters is mainly achieved by synthesis or laser ablation, the set of local minima configurations we provide here, and their distribution as a function of energy, are more relevant than the global minimum to analyze experimental results obtained at finite temperatures, and is consistent with the dynamical coexistence of 2D and 3D liquid Au clusters conformations obtained previously.

Cluster Optimization and Parallelization of Simulations with Dynamically Adaptive Grids

KAUST Repository

Schreiber, Martin; Weinzierl, Tobias; Bungartz, Hans-Joachim

2013-01-01

The present paper studies solvers for partial differential equations that work on dynamically adaptive grids stemming from spacetrees. Due to the underlying tree formalism, such grids efficiently can be decomposed into connected grid regions (clusters) on-the-fly. A graph on those clusters classified according to their grid invariancy, workload, multi-core affinity, and further meta data represents the inter-cluster communication. While stationary clusters already can be handled more efficiently than their dynamic counterparts, we propose to treat them as atomic grid entities and introduce a skip mechanism that allows the grid traversal to omit those regions completely. The communication graph ensures that the cluster data nevertheless are kept consistent, and several shared memory parallelization strategies are feasible. A hyperbolic benchmark that has to remesh selected mesh regions iteratively to preserve conforming tessellations acts as benchmark for the present work. We discuss runtime improvements resulting from the skip mechanism and the implications on shared memory performance and load balancing. © 2013 Springer-Verlag.

Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.

Science.gov (United States)

Lee, Hung-Wen; Chang, Chun-Ming; Hsing, Cheng-Rong

2017-02-28

The puzzle of the magnetic moments of small nickel clusters arises from the discrepancy between values predicted using density functional theory (DFT) and experimental measurements. Traditional DFT approaches underestimate the magnetic moments of nickel clusters. Two fundamental problems are associated with this puzzle, namely, calculating the exchange-correlation interaction accurately and determining the global minimum structures of the clusters. Theoretically, the two problems can be solved using quantum Monte Carlo (QMC) calculations and the ab initio random structure searching (AIRSS) method correspondingly. Therefore, we combined the fixed-moment AIRSS and QMC methods to investigate the magnetic properties of Ni n (n = 5-9) clusters. The spin moments of the diffusion Monte Carlo (DMC) ground states are higher than those of the Perdew-Burke-Ernzerhof ground states and, in the case of Ni 8-9 , two new ground-state structures have been discovered using the DMC calculations. The predicted results are closer to the experimental findings, unlike the results predicted in previous standard DFT studies.

Dynamics of ligand exchange mechanism at Cu(II) in water: an ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region.

Science.gov (United States)

Moin, Syed Tarique; Hofer, Thomas S; Weiss, Alexander K H; Rode, Bernd M

2013-07-07

Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment.

Dynamics of ligand exchange mechanism at Cu(II) in water: An ab initio quantum mechanical charge field molecular dynamics study with extended quantum mechanical region

International Nuclear Information System (INIS)

Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K. H.; Rode, Bernd M.

2013-01-01

Ab initio quantum mechanical charge field molecular dynamics (QMCF-MD) were successfully applied to Cu(II) embedded in water to elucidate structure and to understand dynamics of ligand exchange mechanism. From the simulation studies, it was found that using an extended large quantum mechanical region including two shells of hydration is required for a better description of the dynamics of exchanging water molecules. The structural features characterized by radial distribution function, angular distribution function and other analytical parameters were consistent with experimental data. The major outcome of this study was the dynamics of exchange mechanism and reactions in the first hydration shell that could not be studied so far. The dynamical data such as mean residence time of the first shell water molecules and other relevant data from the simulations are close to the results determined experimentally. Another major characteristic of hydrated Cu(II) is the Jahn-Teller distortion which was also successfully reproduced, leading to the final conclusion that the dominating aqua complex is a 6-coordinated species. The ab initio QMCF-MD formalism proved again its capabilities of unraveling even ambiguous properties of hydrated species that are far difficult to explore by any conventional quantum mechanics/molecular mechanics (QM/MM) approach or experiment

Relaxation dynamics of a quantum emitter resonantly coupled to a metal nanoparticle

DEFF Research Database (Denmark)

Nerkararyan, K. V.; Bozhevolnyi, S. I.

2014-01-01

consequence of this relaxation process is that the emission, being largely determined by the MNP, comes out with a substantial delay. A large number of system parameters in our analytical description opens new possibilities for controlling quantum emitter dynamics. (C) 2014 Optical Society of America......The presence of a metal nanoparticle (MNP) near a quantum dipole emitter, when a localized surface plasmon mode is excited via the resonant coupling with an excited quantum dipole, dramatically changes the relaxation dynamics: an exponential decay changes to step-like behavior. The main physical...

Filling- and interaction-driven Mott transition. Quantum cluster calculations within self-energy-functional theory; Fuellungs- und wechselwirkungsabhaengiger Mott-Uebergang. Quanten-Cluster-Rechnungen im Rahmen der Selbstenergiefunktional-Theorie

Energy Technology Data Exchange (ETDEWEB)

Balzer, Matthias

2008-07-01

The central goal of this thesis is the examination of strongly correlated electron systems on the basis of the two-dimensional Hubbard model. We analyze how the properties of the Mott insulator change upon doping and with interaction strength. The numerical evaluation is done using quantum cluster approximations, which allow for a thermodynamically consistent description of the ground state properties. The framework of self-energy-functional theory offers great flexibility for the construction of cluster approximations. A detailed analysis sheds light on the quality and the convergence properties of different cluster approximations within the self-energy-functional theory. We use the one-dimensional Hubbard model for these examinations and compare our results with the exact solution. In two dimensions the ground state of the particle-hole symmetric model at half-filling is an antiferromagnetic insulator, independent of the interaction strength. The inclusion of short-range spatial correlations by our cluster approach leads to a considerable improvement of the antiferromagnetic order parameter as compared to dynamical mean-field theory. In the paramagnetic phase we furthermore observe a metal-insulator transition as a function of the interaction strength, which qualitatively differs from the pure mean-field scenario. Starting from the antiferromagnetic Mott insulator a filling-controlled metal-insulator transition in a paramagnetic metallic phase can be observed. Depending on the cluster approximation used an antiferromagnetic metallic phase may occur at first. In addition to long-range antiferromagnetic order, we also considered superconductivity in our calculations. The superconducting order parameter as a function of doping is in good agreement with other numerical methods, as well as with experimental results. (orig.)

Bridging quantum chemistry and nuclear structure theory: Coupled-cluster calculations for closed- and open-shell nuclei

International Nuclear Information System (INIS)

Piecuch, Piotr; Wloch, Marta; Gour, Jeffrey R.; Dean, David J.; Papenbrock, Thomas; Hjorth-Jensen, Morten

2005-01-01

We review basic elements of the single-reference coupled-cluster theory and discuss large scale ab initio calculations of ground and excited states of 15O, 16O, and 17O using coupled-cluster methods and algorithms developed in quantum chemistry. By using realistic two-body interactions and the renormalized form of the Hamiltonian obtained with a no-core G-matrix approach, we obtain the converged results for 16O and promising preliminary results for 15O and 17O at the level of two-body interactions. The calculated properties other than energies include matter density, charge radius, and charge form factor. The relatively low costs of coupled-cluster calculations, which are characterized by the low-order polynomial scaling with the system size, enable us to probe large model spaces with up to 7 or 8 major oscillator shells, for which non-truncated shell-model calculations for nuclei with A = 15 17 active particles are presently not possible. We argue that the use of coupled-cluster methods and computer algorithms developed by quantum chemists to calculate properties of nuclei is an important step toward the development of accurate and affordable many-body theories that cross the boundaries of various physical sciences

Comparison of various clustered interaction regions with regard to chromatic and dynamic behavior

International Nuclear Information System (INIS)

Leemann, B.; Wrulich, A.

1986-05-01

Clustered interaction regions for the SSC may be preferable from the viewpoint of costs and operation. In going from distributed to clustered IR's the superperiodicity of the machine is reduced and therefore the number of resonances induced by chromaticity correcting sextupoles is increased. This break in symmetry may cause a reduction in dynamic stability. The chromatic and dynamic behavior of the bare lattice is investigated for various cluster configurations. That means only chromaticity correcting sextupoles have been included and no magnetic imperfection errors have been considered. Then, the dynamic apertures of lattices with various IR clustering schemes are compared when random magnetic imperfections are included

Quantum dissipative dynamics and decoherence of dimers on helium droplets

International Nuclear Information System (INIS)

Schlesinger, Martin

2011-01-01

In this thesis, quantum dynamical simulations are performed in order to describe the vibrational motion of diatomic molecules in a highly quantum environment, so-called helium droplets. We aim to reproduce and explain experimental findings which were obtained from dimers on helium droplets. Nanometer-sized helium droplets contain several thousands of 4 He atoms. They serve as a host for embedded atoms or molecules and provide an ultracold ''refrigerator'' for them. Spectroscopy of molecules in or on these droplets reveals information on both the molecule and the helium environment. The droplets are known to be in the superfluid He II phase. Superfluidity in nanoscale systems is a steadily growing field of research. Spectra obtained from full quantum simulations for the unperturbed dimer show deviations from measurements with dimers on helium droplets. These deviations result from the influence of the helium environment on the dimer dynamics. In this work, a well-established quantum optical master equation is used in order to describe the dimer dynamics effectively. The master equation allows to describe damping fully quantum mechanically. By employing that equation in the quantum dynamical simulation, one can study the role of dissipation and decoherence in dimers on helium droplets. The effective description allows to explain experiments with Rb 2 dimers on helium droplets. Here, we identify vibrational damping and associated decoherence as the main explanation for the experimental results. The relation between decoherence and dissipation in Morse-like systems at zero temperature is studied in more detail. The dissipative model is also used to investigate experiments with K 2 dimers on helium droplets. However, by comparing numerical simulations with experimental data, one finds that further mechanisms are active. Here, a good agreement is obtained through accounting for rapid desorption of dimers. We find that decoherence occurs in the electronic manifold of the

Observation and quantification of the quantum dynamics of a strong-field excited multi-level system.

Science.gov (United States)

Liu, Zuoye; Wang, Quanjun; Ding, Jingjie; Cavaletto, Stefano M; Pfeifer, Thomas; Hu, Bitao

2017-01-04

The quantum dynamics of a V-type three-level system, whose two resonances are first excited by a weak probe pulse and subsequently modified by another strong one, is studied. The quantum dynamics of the multi-level system is closely related to the absorption spectrum of the transmitted probe pulse and its modification manifests itself as a modulation of the absorption line shape. Applying the dipole-control model, the modulation induced by the second strong pulse to the system's dynamics is quantified by eight intensity-dependent parameters, describing the self and inter-state contributions. The present study opens the route to control the quantum dynamics of multi-level systems and to quantify the quantum-control process.

Properties of liquid clusters in large-scale molecular dynamics nucleation simulations

International Nuclear Information System (INIS)

Angélil, Raymond; Diemand, Jürg; Tanaka, Kyoko K.; Tanaka, Hidekazu

2014-01-01

We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, with 10 9 atoms. This large number allows us to resolve extremely low nucleation rates, and also provides excellent statistics for cluster properties over a wide range of cluster sizes. The nucleation rates, cluster growth rates, and size distributions are presented in Diemand et al. [J. Chem. Phys. 139, 74309 (2013)], while this paper analyses the properties of the clusters. We explore the cluster temperatures, density profiles, potential energies, and shapes. A thorough understanding of the properties of the clusters is crucial to the formulation of nucleation models. Significant latent heat is retained by stable clusters, by as much as ΔkT = 0.1ε for clusters with size i = 100. We find that the clusters deviate remarkably from spherical—with ellipsoidal axis ratios for critical cluster sizes typically within b/c = 0.7 ± 0.05 and a/c = 0.5 ± 0.05. We examine cluster spin angular momentum, and find that it plays a negligible role in the cluster dynamics. The interfaces of large, stable clusters are thinner than planar equilibrium interfaces by 10%−30%. At the critical cluster size, the cluster central densities are between 5% and 30% lower than the bulk liquid expectations. These lower densities imply larger-than-expected surface areas, which increase the energy cost to form a surface, which lowers nucleation rates

Stepwise Assembly and Characterization of DNA Linked Two-Color Quantum Dot Clusters.

Science.gov (United States)

Coopersmith, Kaitlin; Han, Hyunjoo; Maye, Mathew M

2015-07-14

The DNA-mediated self-assembly of multicolor quantum dot (QD) clusters via a stepwise approach is described. The CdSe/ZnS QDs were synthesized and functionalized with an amphiphilic copolymer, followed by ssDNA conjugation. At each functionalization step, the QDs were purified via gradient ultracentrifugation, which was found to remove excess polymer and QD aggregates, allowing for improved conjugation yields and assembly reactivity. The QDs were then assembled and disassembled in a stepwise manner at a ssDNA functionalized magnetic colloid, which provided a convenient way to remove unreacted QDs and ssDNA impurities. After assembly/disassembly, the clusters' optical characteristics were studied by fluorescence spectroscopy and the assembly morphology and stoichiometry was imaged via electron microscopy. The results indicate that a significant amount of QD-to-QD energy transfer occurred in the clusters, which was studied as a function of increasing acceptor-to-donor ratios, resulting in increased QD acceptor emission intensities compared to controls.

Dynamic Trajectory Extraction from Stereo Vision Using Fuzzy Clustering

Science.gov (United States)

Onishi, Masaki; Yoda, Ikushi

In recent years, many human tracking researches have been proposed in order to analyze human dynamic trajectory. These researches are general technology applicable to various fields, such as customer purchase analysis in a shopping environment and safety control in a (railroad) crossing. In this paper, we present a new approach for tracking human positions by stereo image. We use the framework of two-stepped clustering with k-means method and fuzzy clustering to detect human regions. In the initial clustering, k-means method makes middle clusters from objective features extracted by stereo vision at high speed. In the last clustering, c-means fuzzy method cluster middle clusters based on attributes into human regions. Our proposed method can be correctly clustered by expressing ambiguity using fuzzy clustering, even when many people are close to each other. The validity of our technique was evaluated with the experiment of trajectories extraction of doctors and nurses in an emergency room of a hospital.

Tunable Quantum Spin Liquidity in Mo3O13 Cluster Mott Insulators

Science.gov (United States)

Akbari-Sharbaf, Arash; Ziat, Djamel; Verrier, Aime; Quilliam, Jeffrey A.; Sinclair, Ryan; Zhou, Haidong D.; Sun, Xuefeng F.

A study of a tunable quantum spin liquid (QSL) phase in the compound Li2In1- x ScxMo3O8 (x = 0.2, 0.4, 0.6, 0.8, 1) will be presented. Crystal structure of these compounds can be viewed as Mo ions arranged on an asymmetric Kagome lattice (KL), with two different Mo-Mo bond lengths, separated by nonmagnetic layers composed of Li, In, and Sc ions. Using X-ray diffraction spectroscopy, muon spin relaxation spectroscopy, bulk magnetic susceptibility and specific heat measurements we show that by changing the composition of the nonmagnetic layers we can drive the system from an ordered antiferromagnetic state to a quantum spin liquid state. The mechanism responsible for the tunability of the magnetic phase in this class of materials may be associated with the degree of asymmetry of the KL controlled by the composition of the nonmagnetic layers. For high degree of asymmetry the constraint on the electronic distribution leads to a configuration of Mo3O8 clusters with net spin-1/2 per cluster arrange on a triangular lattice and long range antiferromagnetic order. For low degree of asymmetry the electronic distribution leads to a magnetic phase with QSL character. We acknowledge support from NSERC and CFREF.

Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory

International Nuclear Information System (INIS)

Klymenko, M. V.; Klein, M.; Levine, R. D.; Remacle, F.

2016-01-01

A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states corresponds to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.

Operation of a quantum dot in the finite-state machine mode: Single-electron dynamic memory

Energy Technology Data Exchange (ETDEWEB)

Klymenko, M. V. [Department of Chemistry, University of Liège, B4000 Liège (Belgium); Klein, M. [The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel); Levine, R. D. [The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel); Crump Institute for Molecular Imaging and Department of Molecular and Medical Pharmacology, David Geffen School of Medicine and Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095 (United States); Remacle, F., E-mail: fremacle@ulg.ac.be [Department of Chemistry, University of Liège, B4000 Liège (Belgium); The Fritz Haber Center for Molecular Dynamics and the Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem 91904 (Israel)

2016-07-14

A single electron dynamic memory is designed based on the non-equilibrium dynamics of charge states in electrostatically defined metallic quantum dots. Using the orthodox theory for computing the transfer rates and a master equation, we model the dynamical response of devices consisting of a charge sensor coupled to either a single and or a double quantum dot subjected to a pulsed gate voltage. We show that transition rates between charge states in metallic quantum dots are characterized by an asymmetry that can be controlled by the gate voltage. This effect is more pronounced when the switching between charge states corresponds to a Markovian process involving electron transport through a chain of several quantum dots. By simulating the dynamics of electron transport we demonstrate that the quantum box operates as a finite-state machine that can be addressed by choosing suitable shapes and switching rates of the gate pulses. We further show that writing times in the ns range and retention memory times six orders of magnitude longer, in the ms range, can be achieved on the double quantum dot system using experimentally feasible parameters, thereby demonstrating that the device can operate as a dynamic single electron memory.

Adiabatic perturbation theory in quantum dynamics

CERN Document Server

Teufel, Stefan

2003-01-01

Separation of scales plays a fundamental role in the understanding of the dynamical behaviour of complex systems in physics and other natural sciences. A prominent example is the Born-Oppenheimer approximation in molecular dynamics. This book focuses on a recent approach to adiabatic perturbation theory, which emphasizes the role of effective equations of motion and the separation of the adiabatic limit from the semiclassical limit. A detailed introduction gives an overview of the subject and makes the later chapters accessible also to readers less familiar with the material. Although the general mathematical theory based on pseudodifferential calculus is presented in detail, there is an emphasis on concrete and relevant examples from physics. Applications range from molecular dynamics to the dynamics of electrons in a crystal and from the quantum mechanics of partially confined systems to Dirac particles and nonrelativistic QED.

Identification of the low-energy excitations in a quantum critical system

Directory of Open Access Journals (Sweden)

Tom Heitmann

2017-05-01

Full Text Available We have identified low-energy magnetic excitations in a doped quantum critical system by means of polarized neutron scattering experiments. The presence of these excitations could explain why Ce(Fe0.76Ru0.242Ge2 displays dynamical scaling in the absence of local critical behavior or long-range spin-density wave criticality. The low-energy excitations are associated with the reorientations of the superspins of fully ordered, isolated magnetic clusters that form spontaneously upon lowering the temperature. The system houses both frozen clusters and dynamic clusters, as predicted by Hoyos and Vojta [Phys. Rev. B 74, 140401(R (2006].

Simulating continuous-time Hamiltonian dynamics by way of a discrete-time quantum walk

International Nuclear Information System (INIS)

Schmitz, A.T.; Schwalm, W.A.

2016-01-01

Much effort has been made to connect the continuous-time and discrete-time quantum walks. We present a method for making that connection for a general graph Hamiltonian on a bigraph. Furthermore, such a scheme may be adapted for simulating discretized quantum models on a quantum computer. A coin operator is found for the discrete-time quantum walk which exhibits the same dynamics as the continuous-time evolution. Given the spectral decomposition of the graph Hamiltonian and certain restrictions, the discrete-time evolution is solved for explicitly and understood at or near important values of the parameters. Finally, this scheme is connected to past results for the 1D chain. - Highlights: • A discrete-time quantum walk is purposed which approximates a continuous-time quantum walk. • The purposed quantum walk could be used to simulate Hamiltonian dynamics on a quantum computer. • Given the spectra decomposition of the Hamiltonian, the quantum walk is solved explicitly. • The method is demonstrated and connected to previous work done on the 1D chain.

Quantum Gibbs Samplers: The Commuting Case

Science.gov (United States)

Kastoryano, Michael J.; Brandão, Fernando G. S. L.

2016-06-01

We analyze the problem of preparing quantum Gibbs states of lattice spin Hamiltonians with local and commuting terms on a quantum computer and in nature. Our central result is an equivalence between the behavior of correlations in the Gibbs state and the mixing time of the semigroup which drives the system to thermal equilibrium (the Gibbs sampler). We introduce a framework for analyzing the correlation and mixing properties of quantum Gibbs states and quantum Gibbs samplers, which is rooted in the theory of non-commutative {mathbb{L}_p} spaces. We consider two distinct classes of Gibbs samplers, one of them being the well-studied Davies generator modelling the dynamics of a system due to weak-coupling with a large Markovian environment. We show that their spectral gap is independent of system size if, and only if, a certain strong form of clustering of correlations holds in the Gibbs state. Therefore every Gibbs state of a commuting Hamiltonian that satisfies clustering of correlations in this strong sense can be prepared efficiently on a quantum computer. As concrete applications of our formalism, we show that for every one-dimensional lattice system, or for systems in lattices of any dimension at temperatures above a certain threshold, the Gibbs samplers of commuting Hamiltonians are always gapped, giving an efficient way of preparing the associated Gibbs states on a quantum computer.

A symmetric geometric measure and the dynamics of quantum discord

International Nuclear Information System (INIS)

Jiang Feng-Jian; Shi Ming-Jun; Lü Hai-Jiang; Yan Xin-Hu

2013-01-01

A symmetric measure of quantum correlation based on the Hilbert—Schmidt distance is presented in this paper. For two-qubit states, we considerably simplify the optimization procedure so that numerical evaluation can be performed efficiently. Analytical expressions for the quantum correlation are attained for some special states. We further investigate the dynamics of quantum correlation of the system qubits in the presence of independent dissipative environments. Several nontrivial aspects are demonstrated. We find that the quantum correlation can increase even if the system state is suffering from dissipative noise. Sudden changes occur, even twice, in the time evolution of quantum correlation. There exists a certain correspondence between the evolution of quantum correlation in the systems and that in the environments, and the quantum correlation in the systems will be transferred into the environments completely and asymptotically. (general)

Test computations on the dynamical evolution of star clusters. [Fluid dynamic method

Energy Technology Data Exchange (ETDEWEB)

Angeletti, L; Giannone, P. (Rome Univ. (Italy))

1977-01-01

Test calculations have been carried out on the evolution of star clusters using the fluid-dynamical method devised by Larson (1970). Large systems of stars have been considered with specific concern with globular clusters. With reference to the analogous 'standard' model by Larson, the influence of varying in turn the various free parameters (cluster mass, star mass, tidal radius, mass concentration of the initial model) has been studied for the results. Furthermore, the partial release of some simplifying assumptions with regard to the relaxation time and distribution of the 'target' stars has been considered. The change of the structural properties is discussed, and the variation of the evolutionary time scale is outlined. An indicative agreement of the results obtained here with structural properties of globular clusters as deduced from previous theoretical models is pointed out.

Brane dynamics and four-dimensional quantum field theory

International Nuclear Information System (INIS)

Lambert, N.D.; West, P.C.

1999-01-01

We review the relation between the classical dynamics of the M-fivebrane and the quantum low energy effective action for N = 2 Yang-Mills theories. We also discuss some outstanding issues in this correspondence. (author)

Torsion as a dynamic degree of freedom of quantum gravity

International Nuclear Information System (INIS)

Kim, Sang-Woo; Pak, D G

2008-01-01

The gauge approach to gravity based on the local Lorentz group with a general independent affine connection A μcd is developed. We consider SO(1, 3) gauge theory with a Lagrangian quadratic in curvature as a simple model of quantum gravity. The torsion is proposed to represent a dynamic degree of freedom of quantum gravity at scales above the Planckian energy. The Einstein-Hilbert theory is induced as an effective theory due to quantum corrections of torsion via generating a stable gravito-magnetic condensate. We conjecture that torsion possesses an intrinsic quantum nature and can be confined

Quantum discord dynamics of two qubits in single-mode cavities

International Nuclear Information System (INIS)

Wang Chen; Chen Qing-Hu

2013-01-01

The dynamics of quantum discord for two identical qubits in two independent single-mode cavities and a common single-mode cavity are discussed. For the initial Bell state with correlated spins, while the entanglement sudden death can occur, the quantum discord vanishes only at discrete moments in the independent cavities and never vanishes in the common cavity. Interestingly, quantum discord and entanglement show opposite behavior in the common cavity, unlike in the independent cavities. For the initial Bell state with anti-correlated spins, quantum discord and entanglement behave in the same way for both independent cavities and a common cavity. It is found that the detunings always stabilize the quantum discord. (general)

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

International Nuclear Information System (INIS)

Arbelo-González, W.; Bonnet, L.; Larrégaray, P.; Rayez, J.-C.; Rubayo-Soneira, J.

2012-01-01

Graphical abstract: A recent classical description of photodissociation dynamics in a quantum spirit is applied for the first time to a realistic process, the fragmentation of NeBr 2 . Highlights: ► The photo-dissociation of NeBr 2 is studied by means of two approaches. ► The first is the standard classical one with Gaussian binning. ► The second is a new method applied for the first time to a realistic system. ► The new method leads to exactly the same results as the standard one. ► However, it requires about 10 times less trajectories in the present case. - Abstract: The recent classical dynamical approach of photodissociations with Bohr quantization [L. Bonnet, J. Chem. Phys. 133 (2010) 174108] is applied for the first time to a realistic process, the photofragmentation of the van der Waals cluster NeBr 2 . We illustrate the fact that this approach, formally equivalent to the standard one, may be numerically much more efficient.

Potential and limits to cluster-state quantum computing using probabilistic gates

International Nuclear Information System (INIS)

Gross, D.; Kieling, K.; Eisert, J.

2006-01-01

We establish bounds to the necessary resource consumption when building up cluster states for one-way computing using probabilistic gates. Emphasis is put on state preparation with linear optical gates, as the probabilistic character is unavoidable here. We identify rigorous general bounds to the necessary consumption of initially available maximally entangled pairs when building up one-dimensional cluster states with individually acting linear optical quantum gates, entangled pairs, and vacuum modes. As the known linear optics gates have a limited maximum success probability, as we show, this amounts to finding the optimal classical strategy of fusing pieces of linear cluster states. A formal notion of classical configurations and strategies is introduced for probabilistic nonfaulty gates. We study the asymptotic performance of strategies that can be simply described, and prove ultimate bounds to the performance of the globally optimal strategy. The arguments employ methods of random walks and convex optimization. This optimal strategy is also the one that requires the shortest storage time, and necessitates the fewest invocations of probabilistic gates. For two-dimensional cluster states, we find, for any elementary success probability, an essentially deterministic preparation of a cluster state with quadratic, hence optimal, asymptotic scaling in the use of entangled pairs. We also identify a percolation effect in state preparation, in that from a threshold probability on, almost all preparations will be either successful or fail. We outline the implications on linear optical architectures and fault-tolerant computations

Quantum Processes and Dynamic Networks in Physical and Biological Systems.

Science.gov (United States)

Dudziak, Martin Joseph

Quantum theory since its earliest formulations in the Copenhagen Interpretation has been difficult to integrate with general relativity and with classical Newtonian physics. There has been traditionally a regard for quantum phenomena as being a limiting case for a natural order that is fundamentally classical except for microscopic extrema where quantum mechanics must be applied, more as a mathematical reconciliation rather than as a description and explanation. Macroscopic sciences including the study of biological neural networks, cellular energy transports and the broad field of non-linear and chaotic systems point to a quantum dimension extending across all scales of measurement and encompassing all of Nature as a fundamentally quantum universe. Theory and observation lead to a number of hypotheses all of which point to dynamic, evolving networks of fundamental or elementary processes as the underlying logico-physical structure (manifestation) in Nature and a strongly quantized dimension to macroscalar processes such as are found in biological, ecological and social systems. The fundamental thesis advanced and presented herein is that quantum phenomena may be the direct consequence of a universe built not from objects and substance but from interacting, interdependent processes collectively operating as sets and networks, giving rise to systems that on microcosmic or macroscopic scales function wholistically and organically, exhibiting non-locality and other non -classical phenomena. The argument is made that such effects as non-locality are not aberrations or departures from the norm but ordinary consequences of the process-network dynamics of Nature. Quantum processes are taken to be the fundamental action-events within Nature; rather than being the exception quantum theory is the rule. The argument is also presented that the study of quantum physics could benefit from the study of selective higher-scale complex systems, such as neural processes in the brain

Instability of quantum equilibrium in Bohm's dynamics.

Science.gov (United States)

Colin, Samuel; Valentini, Antony

2014-11-08

We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for 'extended' non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation.

Supported quantum clusters of silver as enhanced catalysts for reduction

Directory of Open Access Journals (Sweden)

Leelavathi Annamalai

2011-01-01

Full Text Available Abstract Quantum clusters (QCs of silver such as Ag7(H2MSA7, Ag8(H2MSA8 (H2MSA, mercaptosuccinic acid were synthesized by the interfacial etching of Ag nanoparticle precursors and were loaded on metal oxide supports to prepare active catalysts. The supported clusters were characterized using high resolution transmission electron microscopy, scanning electron microscopy, X-ray photoelectron spectroscopy, and laser desorption ionization mass spectrometry. We used the conversion of nitro group to amino group as a model reaction to study the catalytic reduction activity of the QCs. Various aromatic nitro compounds, namely, 3-nitrophenol (3-np, 4-nitrophenol (4-np, 3-nitroaniline (3-na, and 4-nitroaniline (4-na were used as substrates. Products were confirmed using UV-visible spectroscopy and electrospray ionization mass spectrometry. The supported QCs remained active and were reused several times after separation. The rate constant suggested that the reaction followed pseudo-first-order kinetics. The turn-over frequency was 1.87 s-1 per cluster for the reduction of 4-np at 35°C. Among the substrates investigated, the kinetics followed the order, SiO2 > TiO2 > Fe2O3 > Al2O3.

Finite-temperature orbital-free DFT molecular dynamics: Coupling PROFESS and QUANTUM ESPRESSO

Science.gov (United States)

Karasiev, Valentin V.; Sjostrom, Travis; Trickey, S. B.

2014-12-01

Implementation of orbital-free free-energy functionals in the PROFESS code and the coupling of PROFESS with the QUANTUM ESPRESSO code are described. The combination enables orbital-free DFT to drive ab initio molecular dynamics simulations on the same footing (algorithms, thermostats, convergence parameters, etc.) as for Kohn-Sham (KS) DFT. All the non-interacting free-energy functionals implemented are single-point: the local density approximation (LDA; also known as finite-T Thomas-Fermi, ftTF), the second-order gradient approximation (SGA or finite-T gradient-corrected TF), and our recently introduced finite-T generalized gradient approximations (ftGGA). Elimination of the KS orbital bottleneck via orbital-free methodology enables high-T simulations on ordinary computers, whereas those simulations would be costly or even prohibitively time-consuming for KS molecular dynamics (MD) on very high-performance computer systems. Example MD simulations on H over a temperature range 2000 K ≤ T ≤4,000,000 K are reported, with timings on small clusters (16-128 cores) and even laptops. With respect to KS-driven calculations, the orbital-free calculations are between a few times through a few hundreds of times faster.

Anomalous quantum critical spin dynamics in YFe2Al10

Science.gov (United States)

Huang, K.; Tan, C.; Zhang, J.; Ding, Z.; MacLaughlin, D. E.; Bernal, O. O.; Ho, P.-C.; Baines, C.; Wu, L. S.; Aronson, M. C.; Shu, L.

2018-04-01

We report results of a muon spin relaxation (μ SR ) study of YFe2Al10 , a quasi-two-dimensional (2D) nearly ferromagnetic metal in which unconventional quantum critical behavior is observed. No static Fe2 + magnetism, with or without long-range order, is found down to 19 mK. The dynamic muon spin relaxation rate λ exhibits power-law divergences in temperature and magnetic field, the latter for fields that are too weak to affect the electronic spin dynamics directly. We attribute this to the proportionality of λ (ωμ,T ) to the dynamic structure factor S (ωμ,T ) , where ωμ≈105-107s-1 is the muon Zeeman frequency. These results suggest critical divergences of S (ωμ,T ) in both temperature and frequency. Power-law scaling and a 2D dissipative quantum XY model both yield forms for S (ω ,T ) that agree with neutron scattering data (ω ≈1012s-1 ). Extrapolation to μ SR frequencies agrees semiquantitatively with the observed temperature dependence of λ (ωμ,T ) , but predicts frequency independence for ωμ≪T , in extreme disagreement with experiment. We conclude that the quantum critical spin dynamics of YFe2Al10 is not well understood at low frequencies.

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

Science.gov (United States)

Crespo-Otero, Rachel; Barbatti, Mario

2018-05-16

Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

Exact solutions in dynamics of alternation open spin chains s = 1/2 with XY-Hamiltonian and its application to the problems of many-quantum dynamics and quantum information theory

International Nuclear Information System (INIS)

Kuznetsova, E.I.; Fel'dman, Eh.B.

2006-01-01

Paper deals with a method of exact diagonalization of XY-Hamiltonian of s=1/2 alternated open chain of spins based on the Jordan-Wigner transform and analysis of dynamics of spinless fermions. One studied the many-quantum spin dynamics of alternated chains under high temperatures and calculated the intensities of many-quantum coherencies. One attacked the problem dealing with transfer of a quantum state from one end of the alternated chain to the opposite end. It is shown that perfect transfer of cubits may take place in alternated chains with larger number of spins in contrast to homogeneous chains [ru

Ultrafast relaxation dynamics of electrons in Au clusters capped with dodecanethiol molecules

International Nuclear Information System (INIS)

Hamanaka, Y.; Fukagawa, K.; Tai, Y.; Murakami, J.; Nakamura, A.

2006-01-01

We have investigated electron relaxation dynamics of size-selected Au clusters capped by dodecanethiol molecules in the cluster sizes of 28-142 atoms using femtosecond pump-probe spectroscopy. Absorption spectra of 28-71-atom clusters show discrete peaks due to the optical transitions between quantized states, while an absorption band due to the surface plasmon is observed in 142-atom clusters. In the differential absorption spectra measured by the pump-probe experiments, a large redshift of 140 meV lasting over 10 ps and absorption bleaching decaying within 2 ps are observed at the absorption peaks of 28-atom clusters. The redshift is ascribed to a charge transfer between Au clusters and dodecanethiol molecules adsorbed on the cluster surface, and the bleaching is due to blocking of the optical transitions between the ground state and the occupied electronic states due to the Pauli's-exclusion principle. Such behavior is in contrast to the 142-atom clusters, where the cooling of hot electrons generated by photo-excitation determines the relaxation dynamics. These results indicate molecular properties of the 28-atom Au cluster-dodecanethiol system

Quantum critical matter. Quantum phase transitions with multiple dynamics and Weyl superconductors

International Nuclear Information System (INIS)

Meng, Tobias

2012-01-01

In this PhD thesis, the physics of quantum critical matter and exotic quantum state close to quantum phase transitions is investigated. We will focus on three different examples that highlight some of the interesting phenomena related to quantum phase transitions. Firstly, we discuss the physics of quantum phase transitions in quantum wires as a function of an external gate voltage when new subbands are activated. We find that at these transitions, strong correlations lead to the formation of an impenetrable gas of polarons, and identify criteria for possible instabilities in the spin- and charge sectors of the model. Our analysis is based on the combination of exact resummations, renormalization group techniques and Luttinger liquid approaches. Secondly, we turn to the physics of multiple divergent time scales close to a quantum critical point. Using an appropriately generalized renormalization group approach, we identify that the presence of multiple dynamics at a quantum phase transition can lead to the emergence of new critical scaling exponents and thus to the breakdown of the usual scaling schemes. We calculate the critical behavior of various thermodynamic properties and detail how unusual physics can arise. It is hoped that these results might be helpful for the interpretation of experimental scaling puzzles close to quantum critical points. Thirdly, we turn to the physics of topological transitions, and more precisely the physics of Weyl superconductors. The latter are the superconducting variant of the topologically non-trivial Weyl semimetals, and emerge at the quantum phase transition between a topological superconductor and a normal insulator upon perturbing the transition with a time reversal symmetry breaking perturbation, such as magnetism. We characterize the topological properties of Weyl superconductors and establish a topological phase diagram for a particular realization in heterostructures. We discuss the physics of vortices in Weyl

Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O)n=1-5 clusters

Science.gov (United States)

Linton, Kirsty A.; Wright, Timothy G.; Besley, Nicholas A.

2018-03-01

Quantum chemical methods including Møller-Plesset perturbation (MP2) theory and density functional theory (DFT) have been used to study the structure, spectroscopy and reactivity of NO+.(H2O)n=1-5 clusters. MP2/6-311++G** calculations are shown to describe the structure and spectroscopy of the clusters well. DFT calculations with exchange-correlation functionals with a low fraction of Hartree-Fock exchange give a binding energy of NO+.(H2O) that is too high and incorrectly predict the lowest energy structure of NO+.(H2O)2, and this error may be associated with a delocalization of charge onto the water molecule directly binding to NO+. Ab initio molecular dynamics (AIMD) simulations were performed to study the NO+.(H2O)5 H+.(H2O)4 + HONO reaction to investigate the formation of HONO from NO+.(H2O)5. Whether an intracluster reaction to form HONO is observed depends on the level of electronic structure theory used. Of note is that methods that accurately describe the relative energies of the product and reactant clusters did not show reactions on the timescales studied. This suggests that in the upper atmosphere the reaction may occur owing to the energy present in the NO+.(H2O)5 complex following its formation. This article is part of the theme issue `Modern theoretical chemistry'.

Quantum and classical dynamics in biologically inspired systems

International Nuclear Information System (INIS)

Guerreschi, G.

2012-01-01

Quantum biology is an emerging field in which traditional believes and paradigms are under examination. Typically, quantum effects are witnessed inside quantum optics or atomic physics laboratories in systems which are kept under control and isolated from any noise source by means of very advanced technology. Biological systems exhibit opposite characteristics: They are usually constituted of macromolecules continuously exposed to a warm and wet environment, well beyond our control; but at the same time, they operate far away from equilibrium. Recently, the experimental observation of excitonic coherence in photosynthetic complexes has con firmed that, in non-equilibrium scenarios, quantum phenomena can survive even in presence of a noisy environment. The challenge faced by the ongoing research is twofold: On one side, considering biological molecules as effective nanomachines, one has to address questions of principle regarding their design and functioning; on the other side, one has to investigate real systems which are experimentally accessible and identify such features in these concrete scenarios. The present thesis contributes to both of these aspects. In Part I, we demonstrate how entanglement can be persistently generated even under unfavorable environmental conditions. The physical mechanism is modeled after the idea of conformational changes, and it relies on the interplay of classical oscillations of large structures with the quantum dynamics of a few interacting degrees of freedom. In a similar context, we show that the transfer of an excitation through a linear chain of sites can be enhanced when the inter-site distances oscillate periodically. This enhancement is present even in comparison with the static con figuration which is optimal in the classical case and, therefore, it constitutes a clear signature of the underlying quantum dynamics. In Part II of this thesis, we study the radical pair mechanism from the perspective of quantum control and

Fuzzy Geometry of Commutative Spaces and Quantum Dynamics

International Nuclear Information System (INIS)

Mayburov, S.N.

2016-01-01

Fuzzy topology and geometry considered as the possible mathematical framework for novel quantum-mechanical formalism. In such formalism the states of massive particle m correspond to the elements of fuzzy manifold called fuzzy points. Due to the manifold weak topology, m space coordinate x acquires principal uncertainty σ_x and described by the positive, normalized density w(r-vector , t) in 3-dimensional case. It’s shown that the evolution of m state on such 3-dimensional manifold corresponds to Shroedinger dynamics of massive quantum particle

Signatures of discrete breathers in coherent state quantum dynamics

International Nuclear Information System (INIS)

Igumenshchev, Kirill; Ovchinnikov, Misha; Prezhdo, Oleg; Maniadis, Panagiotis

2013-01-01

In classical mechanics, discrete breathers (DBs) – a spatial time-periodic localization of energy – are predicted in a large variety of nonlinear systems. Motivated by a conceptual bridging of the DB phenomena in classical and quantum mechanical representations, we study their signatures in the dynamics of a quantum equivalent of a classical mechanical point in phase space – a coherent state. In contrast to the classical point that exhibits either delocalized or localized motion, the coherent state shows signatures of both localized and delocalized behavior. The transition from normal to local modes have different characteristics in quantum and classical perspectives. Here, we get an insight into the connection between classical and quantum perspectives by analyzing the decomposition of the coherent state into system's eigenstates, and analyzing the spacial distribution of the wave-function density within these eigenstates. We find that the delocalized and localized eigenvalue components of the coherent state are separated by a mixed region, where both kinds of behavior can be observed. Further analysis leads to the following observations. Considered as a function of coupling, energy eigenstates go through avoided crossings between tunneling and non-tunneling modes. The dominance of tunneling modes in the high nonlinearity region is compromised by the appearance of new types of modes – high order tunneling modes – that are similar to the tunneling modes but have attributes of non-tunneling modes. Certain types of excitations preferentially excite higher order tunneling modes, allowing one to study their properties. Since auto-correlation functions decrease quickly in highly nonlinear systems, short-time dynamics are sufficient for modeling quantum DBs. This work provides a foundation for implementing modern semi-classical methods to model quantum DBs, bridging classical and quantum mechanical signatures of DBs, and understanding spectroscopic experiments

Real-time dynamics of dissipative quantum systems

International Nuclear Information System (INIS)

Chow, K.S.

1988-01-01

The first part of this thesis motivates a real time approach to the dynamics of dissipative quantum systems. We review previous imaginary time methods for calculating escape rates and discuss their applications to the analysis of data in macroscopic quantum tunneling experiments. In tunneling experiments on heavily damped Superconducting Quantum Interference Devices, the instanton method gave results that compare reasonably well with data. In tunneling experiments on weakly damped Current Biased Josephson Junctions, two problems arise. First, the classical limit of the instanton result disagrees with the classical rate of thermal activation. Second, the instanton method cannot predict the microwave enhancement of escape rates. In the third chapter, we discuss our real time approach to the dynamics of dissipative systems in terms of a kinetic equation for the reduced density matrix. We demonstrate some known equilibrium properties of dissipative systems through the kinetic equation and derived the bath induced widths and energy shifts. In the low damping limit, the kinetic equation reduces to a much simpler master equation. The classical limit of the master equation is completely equivalent to the Fokker-Planck equation that describes thermal activation. In the fourth chapter, we apply the master equation to the problem of tunneling and resonance enhancement of tunneling in weakly damped current biased Josephson junctions. In the classical regime, microwaves of the appropriate frequency induce resonances between many neighboring levels and an asymmetrical resonance peak is measured. We can calibrate the junction parameters by fitting the stationary solution of the master equation to the classical resonance data. In the quantum regime, the stationary solution of the master equation, predicts well-resolved resonance peaks which agree very well with the observed data

Hardware for dynamic quantum computing.

Science.gov (United States)

Ryan, Colm A; Johnson, Blake R; Ristè, Diego; Donovan, Brian; Ohki, Thomas A

2017-10-01

We describe the hardware, gateware, and software developed at Raytheon BBN Technologies for dynamic quantum information processing experiments on superconducting qubits. In dynamic experiments, real-time qubit state information is fed back or fed forward within a fraction of the qubits' coherence time to dynamically change the implemented sequence. The hardware presented here covers both control and readout of superconducting qubits. For readout, we created a custom signal processing gateware and software stack on commercial hardware to convert pulses in a heterodyne receiver into qubit state assignments with minimal latency, alongside data taking capability. For control, we developed custom hardware with gateware and software for pulse sequencing and steering information distribution that is capable of arbitrary control flow in a fraction of superconducting qubit coherence times. Both readout and control platforms make extensive use of field programmable gate arrays to enable tailored qubit control systems in a reconfigurable fabric suitable for iterative development.

Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

Energy Technology Data Exchange (ETDEWEB)

Gray, S.K. [Argonne National Laboratory, IL (United States)

1993-12-01

A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

Effect of carrier dynamics and temperature on two-state lasing in semiconductor quantum dot lasers

Energy Technology Data Exchange (ETDEWEB)

Korenev, V. V., E-mail: korenev@spbau.ru; Savelyev, A. V.; Zhukov, A. E.; Omelchenko, A. V.; Maximov, M. V. [Saint Petersburg Academic University-Nanotechnology Research and Education Center (Russian Federation)

2013-10-15

It is analytically shown that the both the charge carrier dynamics in quantum dots and their capture into the quantum dots from the matrix material have a significant effect on two-state lasing phenomenon in quantum dot lasers. In particular, the consideration of desynchronization in electron and hole capture into quantum dots allows one to describe the quenching of ground-state lasing observed at high injection currents both qualitatevely and quantitatively. At the same time, an analysis of the charge carrier dynamics in a single quantum dot allowed us to describe the temperature dependences of the emission power via the ground- and excited-state optical transitions of quantum dots.

Effect of carrier dynamics and temperature on two-state lasing in semiconductor quantum dot lasers

International Nuclear Information System (INIS)

Korenev, V. V.; Savelyev, A. V.; Zhukov, A. E.; Omelchenko, A. V.; Maximov, M. V.

2013-01-01

It is analytically shown that the both the charge carrier dynamics in quantum dots and their capture into the quantum dots from the matrix material have a significant effect on two-state lasing phenomenon in quantum dot lasers. In particular, the consideration of desynchronization in electron and hole capture into quantum dots allows one to describe the quenching of ground-state lasing observed at high injection currents both qualitatevely and quantitatively. At the same time, an analysis of the charge carrier dynamics in a single quantum dot allowed us to describe the temperature dependences of the emission power via the ground- and excited-state optical transitions of quantum dots

Matching-pursuit/split-operator Fourier-transform simulations of nonadiabatic quantum dynamics

Science.gov (United States)

Wu, Yinghua; Herman, Michael F.; Batista, Victor S.

2005-03-01

A rigorous and practical approach for simulations of nonadiabatic quantum dynamics is introduced. The algorithm involves a natural extension of the matching-pursuit/split-operator Fourier-transform (MP/SOFT) method [Y. Wu and V. S. Batista, J. Chem. Phys. 121, 1676 (2004)] recently developed for simulations of adiabatic quantum dynamics in multidimensional systems. The MP/SOFT propagation scheme, extended to nonadiabatic dynamics, recursively applies the time-evolution operator as defined by the standard perturbation expansion to first-, or second-order, accuracy. The expansion is implemented in dynamically adaptive coherent-state representations, generated by an approach that combines the matching-pursuit algorithm with a gradient-based optimization method. The accuracy and efficiency of the resulting propagation method are demonstrated as applied to the canonical model systems introduced by Tully for testing simulations of dual curve-crossing nonadiabatic dynamics.

Dissipative quantum dynamics and nonlinear sigma-model

International Nuclear Information System (INIS)

Tarasov, V.E.

1992-01-01

Sedov variational principle which is the generalization of the least action principle for the dissipative and irreversible processes and the classical dissipative mechanics in the phase space is considered. Quantum dynamics for the dissipative and irreversible processes is constructed. As an example of the dissipative quantum theory the nonlinear two-dimensional sigma-model is considered. The conformal anomaly of the energy momentum tensor trace for closed bosonic string on the affine-metric manifold is investigated. The two-loop metric beta-function for nonlinear dissipative sigma-model was calculated. The results are compared with the ultraviolet two-loop conterterms for affine-metric sigma model. 71 refs

Br2(X) microsolvation in helium clusters: effect of the interaction on the quantum solvent density distribution.

Science.gov (United States)

Di Paola, Cono; Gianturco, Franco A; López-Durán, David; de Lara-Castells, Maria Pilar; Delgado-Barrio, Gerardo; Villarreal, Pablo; Jellinek, Julius

2005-07-11

The Born-Oppenheimer potential energy surface for the Br2(X) molecule interacting with a varying number of 4He bosons is constructed following two different schemes which employ either a full ab initio evaluation of the Br2-He interaction forces or an estimate of the latter through an empirical model. Both descriptions are employed by carrying out diffusion Monte Carlo (DMC) calculations of the ground-state energies and quantum wavefunctions for Br2-(He)n clusters with n up to 24. The results clearly indicate, for both interactions, the occurrence of the full solvation of the molecular dopant within the quantum bosonic "solvent" but also show differences between the two models in terms of the expected density distributions of the surrounding particles within the shorter-range region that makes up the clusters with smaller n values. Our calculations also show that such differences become insignificant for the larger 4He clusters surrounding the Br2 molecule, where density profiles and bulk behaviour are chiefly driven by the solvent structure, once n values reach the region of 15-20 adatoms.

The Aharonov-Anandan phase of a classical dynamical system seen mathematically as a quantum dynamical system

OpenAIRE

Segre, Gavriel

2005-01-01

It is shown that the non-adiabatic Hannay's angle of an integrable non-degenerate classical hamiltonian dynamical system may be related to the Aharonov-Anandan phase it develops when it is looked mathematically as a quantum dynamical system.

Transformation dynamics of Ni clusters into NiO rings under electron beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Knez, Daniel, E-mail: daniel.knez@felmi-zfe.at [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Thaler, Philipp; Volk, Alexander [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Kothleitner, Gerald [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria); Ernst, Wolfgang E. [Institute of Experimental Physics, Graz University of Technology, Petersgasse 16, 8010 Graz (Austria); Hofer, Ferdinand [Institute of Electron Microscopy and Nanoanalysis, Graz University of Technology, Steyrergasse 17, 8010 Graz (Austria); Graz Centre for Electron Microscopy, Steyrergasse 17, 8010 Graz (Austria)

2017-05-15

We report the transformation of nickel clusters into NiO rings by an electron beam induced nanoscale Kirkendall effect. High-purity nickel clusters consisting of a few thousand atoms have been used as precursors and were synthesized with the superfluid helium droplet technique. Aberration-corrected, analytical scanning transmission electron microscopy was applied to oxidise and simultaneously analyse the nanostructures. The transient dynamics of the oxidation could be documented by time lapse series using high-angle annular dark-field imaging and electron energy-loss spectroscopy. A two-step Cabrera-Mott oxidation mechanism was identified. It was found that water adsorbed adjacent to the clusters acts as oxygen source for the electron beam induced oxidation. The size-dependent oxidation rate was estimated by quantitative EELS measurements combined with molecular dynamics simulations. Our findings could serve to better control sample changes during examination in an electron microscope, and might provide a methodology to generate other metal oxide nanostructures. - Highlights: • Beam induced conversion of Ni clusters into crystalline NiO rings has been observed. • Ni clusters were grown with the superfluid He-droplet technique. • oxidizeSTEM was utilized to investigate and simultaneously oxidize these clusters. • Oxidation dynamics was captured in real-time. • Cluster sizes and the oxidation rate were estimated via EELS and molecular dynamics.

Comparison of quantum-mechanical and semiclassical approaches for an analysis of spin dynamics in quantum dots

International Nuclear Information System (INIS)

Petrov, M. Yu.; Yakovlev, S. V.

2012-01-01

Two approaches to the description of spin dynamics of electron-nuclear system in quantum dots are compared: the quantum-mechanical one is based on direct diagonalization of the model Hamiltonian and semiclassical one is based on coupled equations for precession of mean electron spin and mean spin of nuclear spin fluctuations. The comparison was done for a model problem describing periodic excitation of electron-nuclear system by optical excitation. The computation results show that scattering of parameters related to fluctuation of the nuclear spin system leads to appearance of an ordered state in the system caused by periodic excitation and to the effect of electron-spin mode locking in an external magnetic field. It is concluded that both models can qualitatively describe the mode-locking effect, however give significantly different quantitative results. This may indicate the limited applicability of the precession model for describing the spin dynamics in quantum dots in the presence of optical pumping.

Non-Markovian dynamics, decoherence and entanglement in dissipative quantum systems with applications to quantum information theory of continuous variable systems

International Nuclear Information System (INIS)

Hoerhammer, C.

2007-01-01

In this thesis, non-Markovian dynamics, decoherence and entanglement in dissipative quantum systems are studied. In particular, applications to quantum information theory of continuous variable systems are considered. The non-Markovian dynamics are described by the Hu-Paz-Zhang master equation of quantum Brownian motion. In this context the focus is on non-Markovian effects on decoherence and separability time scales of various single- mode and two-mode continuous variable states. It is verified that moderate non-Markovian influences slow down the decay of interference fringes and quantum correlations, while strong non-Markovian effects resulting from an out-of-resonance bath can even accelerate the loss of coherence, compared to predictions of Markovian approximations. Qualitatively different scenarios including exponential, Gaussian or algebraic decay of the decoherence function are analyzed. It is shown that partial recurrence of coherence can occur in case of non-Lindblad-type dynamics. The time evolution of quantum correlations of entangled two-mode continuous variable states is examined in single-reservoir and two-reservoir models, representing noisy correlated or uncorrelated non-Markovian quantum channels. For this purpose the model of quantum Brownian motion is extended. Various separability criteria for Gaussian and non-Gaussian continuous variable systems are applied. In both types of reservoir models moderate non-Markovian effects prolong the separability time scales. However, in these models the properties of the stationary state may differ. In the two-reservoir model the initial entanglement is completely lost and both modes are finally uncorrelated. In a common reservoir both modes interact indirectly via the coupling to the same bath variables. Therefore, new quantum correlations may emerge between the two modes. Below a critical bath temperature entanglement is preserved even in the steady state. A separability criterion is derived, which depends

Mobility of hydrogen-helium clusters in tungsten studied by molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Grigorev, Petr, E-mail: grigorievpit@gmail.com [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol, 2400 (Belgium); Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnologies, and Telecommunications, Peter the Great St.Petersburg Polytechnic University, St. Petersburg (Russian Federation); Terentyev, Dmitry; Bonny, Giovanni [SCK-CEN, Nuclear Materials Science Institute, Boeretang 200, Mol, 2400 (Belgium); Zhurkin, Evgeny E. [Department of Experimental Nuclear Physics K-89, Institute of Physics, Nanotechnologies, and Telecommunications, Peter the Great St.Petersburg Polytechnic University, St. Petersburg (Russian Federation); Oost, Guido van [Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Noterdaeme, Jean-Marie [Ghent University, Applied Physics EA17 FUSION-DC, St.Pietersnieuwstraat, 41 B4, B-9000, Gent (Belgium); Max-Planck-Institut für Plasmaphysik, Garching (Germany)

2016-06-15

Tungsten is a primary candidate material for plasma facing components in fusion reactors. Interaction of plasma components with the material is unavoidable and will lead to degradation of the performance and the lifetime of the in-vessel components. In order to gain better understanding the mechanisms driving the material degradation at atomic level, atomistic simulations are employed. In this work we study migration, stability and self-trapping properties of pure helium and mixed helium-hydrogen clusters in tungsten by means of molecular dynamics simulations. We test two versions of an embedded atom model interatomic potential by comparing it with ab initio data regarding the binding properties of He clusters. By analysing the trajectories of the clusters during molecular dynamics simulations at finite temperatures we obtain the diffusion parameters. The results show that the diffusivity of mixed clusters is significantly lower, than that of pure helium clusters. The latter suggest that the formation of mixed clusters during mixed hydrogen helium plasma exposure will affect the helium diffusivity in the material.

One- and two-cluster synchronized dynamics of non-diffusively coupled Tchebycheff map networks

International Nuclear Information System (INIS)

Schäfer, Mirko; Greiner, Martin

2012-01-01

We use the master stability formalism to discuss one- and two-cluster synchronization of coupled Tchebycheff map networks. For diffusively coupled map systems, the one-cluster synchronized dynamics is given by the behaviour of the individual maps, and the coupling only determines the stability of the coherent state. For the case of non-diffusive coupling and for two-cluster synchronization, the synchronized dynamics on networks is different from the behaviour of the single individual map. Depending on the coupling, we study numerically the characteristics of various forms of the resulting synchronized dynamics. The stability properties of the respective one-cluster synchronized states are discussed for arbitrary network structures. For the case of two-cluster synchronization on bipartite networks we also present analytical expressions for fixed points and zig-zag patterns, and explicitly determine the linear stability of these orbits for the special case of ring-networks.

Environment and initial state engineered dynamics of quantum and classical correlations

Energy Technology Data Exchange (ETDEWEB)

Wang, Cheng-Zhi, E-mail: czczwang@outlook.com; Li, Chun-Xian; Guo, Yu; Lu, Geng-Biao; Ding, Kai-He

2016-11-15

Based on an open exactly solvable system coupled to an environment with nontrivial spectral density, we connect the features of quantum and classical correlations with some features of the environment, initial states of the system, and the presence of initial system–environment correlations. Some interesting features not revealed before are observed by changing the structure of environment, the initial states of system, and the presence of initial system–environment correlations. The main results are as follows. (1) Quantum correlations exhibit temporary freezing and permanent freezing even at high temperature of the environment, for which the necessary and sufficient conditions are given by three propositions. (2) Quantum correlations display a transition from temporary freezing to permanent freezing by changing the structure of environment. (3) Quantum correlations can be enhanced all the time, for which the condition is put forward. (4) The one-to-one dependency relationship between all kinds of dynamic behaviors of quantum correlations and the initial states of the system as well as environment structure is established. (5) In the presence of initial system–environment correlations, quantum correlations under local environment exhibit temporary multi-freezing phenomenon. While under global environment they oscillate, revive, and damp, an explanation for which is given. - Highlights: • Various interesting behaviors of quantum and classical correlations are observed in an open exactly solvable model. • The important effects of the bath structure on quantum and classical correlations are revealed. • The one-to-one correspondence between the type of dynamical behavior of quantum discord and the initial state is given. • Quantum correlations are given in the presence of initial qubits–bath correlations.

Environment and initial state engineered dynamics of quantum and classical correlations

International Nuclear Information System (INIS)

Wang, Cheng-Zhi; Li, Chun-Xian; Guo, Yu; Lu, Geng-Biao; Ding, Kai-He

2016-01-01

Based on an open exactly solvable system coupled to an environment with nontrivial spectral density, we connect the features of quantum and classical correlations with some features of the environment, initial states of the system, and the presence of initial system–environment correlations. Some interesting features not revealed before are observed by changing the structure of environment, the initial states of system, and the presence of initial system–environment correlations. The main results are as follows. (1) Quantum correlations exhibit temporary freezing and permanent freezing even at high temperature of the environment, for which the necessary and sufficient conditions are given by three propositions. (2) Quantum correlations display a transition from temporary freezing to permanent freezing by changing the structure of environment. (3) Quantum correlations can be enhanced all the time, for which the condition is put forward. (4) The one-to-one dependency relationship between all kinds of dynamic behaviors of quantum correlations and the initial states of the system as well as environment structure is established. (5) In the presence of initial system–environment correlations, quantum correlations under local environment exhibit temporary multi-freezing phenomenon. While under global environment they oscillate, revive, and damp, an explanation for which is given. - Highlights: • Various interesting behaviors of quantum and classical correlations are observed in an open exactly solvable model. • The important effects of the bath structure on quantum and classical correlations are revealed. • The one-to-one correspondence between the type of dynamical behavior of quantum discord and the initial state is given. • Quantum correlations are given in the presence of initial qubits–bath correlations.

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems

International Nuclear Information System (INIS)

Smith, Kyle K. G.; Poulsen, Jens Aage; Nyman, Gunnar; Rossky, Peter J.

2015-01-01

We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics

Dynamic parallel ROOT facility clusters on the Alice Environment

International Nuclear Information System (INIS)

Luzzi, C; Betev, L; Carminati, F; Grigoras, C; Saiz, P; Manafov, A

2012-01-01

The ALICE collaboration has developed a production environment (AliEn) that implements the full set of the Grid tools enabling the full offline computational work-flow of the experiment, simulation, reconstruction and data analysis, in a distributed and heterogeneous computing environment. In addition to the analysis on the Grid, ALICE uses a set of local interactive analysis facilities installed with the Parallel ROOT Facility (PROOF). PROOF enables physicists to analyze medium-sized (order of 200-300 TB) data sets on a short time scale. The default installation of PROOF is on a static dedicated cluster, typically 200-300 cores. This well-proven approach, has its limitations, more specifically for analysis of larger datasets or when the installation of a dedicated cluster is not possible. Using a new framework called PoD (Proof on Demand), PROOF can be used directly on Grid-enabled clusters, by dynamically assigning interactive nodes on user request. The integration of Proof on Demand in the AliEn framework provides private dynamic PROOF clusters as a Grid service. This functionality is transparent to the user who will submit interactive jobs to the AliEn system.

Cumulative quantum work-deficit versus entanglement in the dynamics of an infinite spin chain

Energy Technology Data Exchange (ETDEWEB)

Dhar, Himadri Shekhar [School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067 (India); Ghosh, Rupamanjari [School of Physical Sciences, Jawaharlal Nehru University, New Delhi 110067 (India); School of Natural Sciences, Shiv Nadar University, Gautam Budh Nagar, UP 203207 (India); Sen, Aditi [Harish-Chandra Research Institute, Chhatnag Road, Jhunsi, Allahabad 211019 (India); Sen, Ujjwal, E-mail: ujjwal@hri.res.in [Harish-Chandra Research Institute, Chhatnag Road, Jhunsi, Allahabad 211019 (India)

2014-03-01

We find that the dynamical phase transition (DPT) in nearest-neighbor bipartite entanglement of time-evolved states of the anisotropic infinite quantum XY spin chain, in a transverse time-dependent magnetic field, can be quantitatively characterized by the dynamics of an information-theoretic quantum correlation measure, namely, quantum work-deficit (QWD). We show that only those nonequilibrium states exhibit entanglement resurrection after death, on changing the field parameter during the DPT, for which the cumulative bipartite QWD is above a threshold. The results point to an interesting inter-relation between two quantum correlation measures that are conceptualized from different perspectives.

Analysis of the dynamical cluster approximation for the Hubbard model

OpenAIRE

Aryanpour, K.; Hettler, M. H.; Jarrell, M.

2002-01-01

We examine a central approximation of the recently introduced Dynamical Cluster Approximation (DCA) by example of the Hubbard model. By both analytical and numerical means we study non-compact and compact contributions to the thermodynamic potential. We show that approximating non-compact diagrams by their cluster analogs results in a larger systematic error as compared to the compact diagrams. Consequently, only the compact contributions should be taken from the cluster, whereas non-compact ...

Error suppression and error correction in adiabatic quantum computation: non-equilibrium dynamics

International Nuclear Information System (INIS)

Sarovar, Mohan; Young, Kevin C

2013-01-01

While adiabatic quantum computing (AQC) has some robustness to noise and decoherence, it is widely believed that encoding, error suppression and error correction will be required to scale AQC to large problem sizes. Previous works have established at least two different techniques for error suppression in AQC. In this paper we derive a model for describing the dynamics of encoded AQC and show that previous constructions for error suppression can be unified with this dynamical model. In addition, the model clarifies the mechanisms of error suppression and allows the identification of its weaknesses. In the second half of the paper, we utilize our description of non-equilibrium dynamics in encoded AQC to construct methods for error correction in AQC by cooling local degrees of freedom (qubits). While this is shown to be possible in principle, we also identify the key challenge to this approach: the requirement of high-weight Hamiltonians. Finally, we use our dynamical model to perform a simplified thermal stability analysis of concatenated-stabilizer-code encoded many-body systems for AQC or quantum memories. This work is a companion paper to ‘Error suppression and error correction in adiabatic quantum computation: techniques and challenges (2013 Phys. Rev. X 3 041013)’, which provides a quantum information perspective on the techniques and limitations of error suppression and correction in AQC. In this paper we couch the same results within a dynamical framework, which allows for a detailed analysis of the non-equilibrium dynamics of error suppression and correction in encoded AQC. (paper)

Exploring the Dynamics of Exoplanetary Systems in a Young Stellar Cluster

Science.gov (United States)

Thornton, Jonathan Daniel; Glaser, Joseph Paul; Wall, Joshua Edward

2018-01-01

I describe a dynamical simulation of planetary systems in a young star cluster. One rather arbitrary aspect of cluster simulations is the choice of initial conditions. These are typically chosen from some standard model, such as Plummer or King, or from a “fractal” distribution to try to model young clumpy systems. Here I adopt the approach of realizing an initial cluster model directly from a detailed magnetohydrodynamical model of cluster formation from a 1000-solar-mass interstellar gas cloud, with magnetic fields and radiative and wind feedback from massive stars included self-consistently. The N-body simulation of the stars and planets starts once star formation is largely over and feedback has cleared much of the gas from the region where the newborn stars reside. It continues until the cluster dissolves in the galactic field. Of particular interest is what would happen to the free-floating planets created in the gas cloud simulation. Are they captured by a star or are they ejected from the cluster? This method of building a dynamical cluster simulation directly from the results of a cluster formation model allows us to better understand the evolution of young star clusters and enriches our understanding of extrasolar planet development in them. These simulations were performed within the AMUSE simulation framework, and combine N-body, multiples and background potential code.

Feynman’s clock, a new variational principle, and parallel-in-time quantum dynamics

Science.gov (United States)

McClean, Jarrod R.; Parkhill, John A.; Aspuru-Guzik, Alán

2013-01-01

We introduce a discrete-time variational principle inspired by the quantum clock originally proposed by Feynman and use it to write down quantum evolution as a ground-state eigenvalue problem. The construction allows one to apply ground-state quantum many-body theory to quantum dynamics, extending the reach of many highly developed tools from this fertile research area. Moreover, this formalism naturally leads to an algorithm to parallelize quantum simulation over time. We draw an explicit connection between previously known time-dependent variational principles and the time-embedded variational principle presented. Sample calculations are presented, applying the idea to a hydrogen molecule and the spin degrees of freedom of a model inorganic compound, demonstrating the parallel speedup of our method as well as its flexibility in applying ground-state methodologies. Finally, we take advantage of the unique perspective of this variational principle to examine the error of basis approximations in quantum dynamics. PMID:24062428

3.5D dynamic PET image reconstruction incorporating kinetics-based clusters

International Nuclear Information System (INIS)

Lu Lijun; Chen Wufan; Karakatsanis, Nicolas A; Rahmim, Arman; Tang Jing

2012-01-01

Standard 3D dynamic positron emission tomographic (PET) imaging consists of independent image reconstructions of individual frames followed by application of appropriate kinetic model to the time activity curves at the voxel or region-of-interest (ROI). The emerging field of 4D PET reconstruction, by contrast, seeks to move beyond this scheme and incorporate information from multiple frames within the image reconstruction task. Here we propose a novel reconstruction framework aiming to enhance quantitative accuracy of parametric images via introduction of priors based on voxel kinetics, as generated via clustering of preliminary reconstructed dynamic images to define clustered neighborhoods of voxels with similar kinetics. This is then followed by straightforward maximum a posteriori (MAP) 3D PET reconstruction as applied to individual frames; and as such the method is labeled ‘3.5D’ image reconstruction. The use of cluster-based priors has the advantage of further enhancing quantitative performance in dynamic PET imaging, because: (a) there are typically more voxels in clusters than in conventional local neighborhoods, and (b) neighboring voxels with distinct kinetics are less likely to be clustered together. Using realistic simulated 11 C-raclopride dynamic PET data, the quantitative performance of the proposed method was investigated. Parametric distribution-volume (DV) and DV ratio (DVR) images were estimated from dynamic image reconstructions using (a) maximum-likelihood expectation maximization (MLEM), and MAP reconstructions using (b) the quadratic prior (QP-MAP), (c) the Green prior (GP-MAP) and (d, e) two proposed cluster-based priors (CP-U-MAP and CP-W-MAP), followed by graphical modeling, and were qualitatively and quantitatively compared for 11 ROIs. Overall, the proposed dynamic PET reconstruction methodology resulted in substantial visual as well as quantitative accuracy improvements (in terms of noise versus bias performance) for parametric DV

Dynamical Symmetry Breaking in RN Quantum Gravity

Directory of Open Access Journals (Sweden)

A. T. Kotvytskiy

2011-01-01

Full Text Available We show that in the RN gravitation model, there is no dynamical symmetry breaking effect in the formalism of the Schwinger-Dyson equation (in flat background space-time. A general formula for the second variation of the gravitational action is obtained from the quantum corrections hμν (in arbitrary background metrics.

Nonlinear Dynamics In Quantum Physics -- Quantum Chaos and Quantum Instantons

OpenAIRE

Kröger, H.

2003-01-01

We discuss the recently proposed quantum action - its interpretation, its motivation, its mathematical properties and its use in physics: quantum mechanical tunneling, quantum instantons and quantum chaos.

Learning nitrogen-vacancy electron spin dynamics on a silicon quantum photonic simulator

NARCIS (Netherlands)

Wang, J.; Paesani, S.; Santagati, R.; Knauer, S.; Gentile, A. A.; Wiebe, N.; Petruzzella, M.; Laing, A.; Rarity, J. G.; O'Brien, J. L.; Thompson, M. G.

2017-01-01

We present the experimental demonstration of quantum Hamiltonian learning. Using an integrated silicon-photonics quantum simulator with the classical machine learning technique, we successfully learn the Hamiltonian dynamics of a diamond nitrogen-vacancy center's electron ground-state spin.

Conjugate dynamical systems: classical analogue of the quantum energy translation

International Nuclear Information System (INIS)

Torres-Vega, Gabino

2012-01-01

An aspect of quantum mechanics that has not been fully understood is the energy shift generated by the time operator. In this study, we introduce the use of the eigensurfaces of dynamical variables and commutators in classical mechanics to study the classical analogue of the quantum translation of energy. We determine that there is a conjugate dynamical system that is conjugate to Hamilton's equations of motion, and then we generate the analogue of the time operator and use it in the translation of points along the energy direction, i.e. the classical analogue of the Pauli theorem. The theory is illustrated with a nonlinear oscillator model. (paper)

Isotopic effect on the quantum tunneling of the magnetization of molecular nanomagnets

International Nuclear Information System (INIS)

Sessoli, Roberta; Caneschi, Andrea; Gatteschi, Dante; Sorace, Lorenzo; Cornia, Andrea; Wernsdorfer, Wolfgang

2001-01-01

The molecular cluster [Fe 8 (tacn) 6 O 2 (OH) 12 ]Br 8 ·9H 2 O, Fe 8 , characterized by S=10, with biaxial magnetic anisotropy is an ideal system to investigate quantum effects in the dynamics of the magnetization. Resonant quantum tunneling gives rise to stepped hysteresis cycles and below 0.35 K pure quantum tunneling of the magnetization has been observed. The role of hyperfine fields in promoting the tunneling as a source of dynamic broadening of the states involved in the tunnel transition is investigated by preparing and characterizing two isotopically enriched samples using 57 Fe and 2 H. The relaxation rate in the tunneling regime is proportional to the hyperfine field generated by the nuclei. Also, the intrinsic linewidth of the tunneling resonance scales with the hyperfine field as confirmed by calculations of the super (or transfer) and direct hyperfine interactions. Preliminary results on a novel cluster of formula [Fe 4 (OCH 3 ) 6 (dpm) 6 ], Fe 4 , suited for a more dramatic isotope effect on the tunneling rate are also reported

Examples of algebrae with equal dynamic entropy

International Nuclear Information System (INIS)

Narnhofer, H.

1988-01-01

For given dynamical entropy we construct uncountably many examples of corresponding algebras, some of them are quantum K systems, whereas at least one explicit example is not. Consequences for cluster properties are studied. 12 refs. (Author)

Quantum criticality of one-dimensional multicomponent Fermi gas with strongly attractive interaction

International Nuclear Information System (INIS)

He, Peng; Jiang, Yuzhu; Guan, Xiwen; He, Jinyu

2015-01-01

Quantum criticality of strongly attractive Fermi gas with SU(3) symmetry in one dimension is studied via the thermodynamic Bethe ansatz (TBA) equations. The phase transitions driven by the chemical potential μ, effective magnetic field H 1 , H 2 (chemical potential biases) are analyzed at the quantum criticality. The phase diagram and critical fields are analytically determined by the TBA equations in the zero temperature limit. High accurate equations of state, scaling functions are also obtained analytically for the strong interacting gases. The dynamic exponent z=2 and correlation length exponent ν=1/2 read off the universal scaling form. It turns out that the quantum criticality of the three-component gases involves a sudden change of density of states of one cluster state, two or three cluster states. In general, this method can be adapted to deal with the quantum criticality of multicomponent Fermi gases with SU(N) symmetry. (paper)

Quantum walks, quantum gates, and quantum computers

International Nuclear Information System (INIS)

Hines, Andrew P.; Stamp, P. C. E.

2007-01-01

The physics of quantum walks on graphs is formulated in Hamiltonian language, both for simple quantum walks and for composite walks, where extra discrete degrees of freedom live at each node of the graph. It is shown how to map between quantum walk Hamiltonians and Hamiltonians for qubit systems and quantum circuits; this is done for both single-excitation and multiexcitation encodings. Specific examples of spin chains, as well as static and dynamic systems of qubits, are mapped to quantum walks, and walks on hyperlattices and hypercubes are mapped to various gate systems. We also show how to map a quantum circuit performing the quantum Fourier transform, the key element of Shor's algorithm, to a quantum walk system doing the same. The results herein are an essential preliminary to a Hamiltonian formulation of quantum walks in which coupling to a dynamic quantum environment is included

Schrödinger–Langevin equation with quantum trajectories for photodissociation dynamics

Energy Technology Data Exchange (ETDEWEB)

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

2017-02-15

The Schrödinger–Langevin equation is integrated to study the wave packet dynamics of quantum systems subject to frictional effects by propagating an ensemble of quantum trajectories. The equations of motion for the complex action and quantum trajectories are derived from the Schrödinger–Langevin equation. The moving least squares approach is used to evaluate the spatial derivatives of the complex action required for the integration of the equations of motion. Computational results are presented and analyzed for the evolution of a free Gaussian wave packet, a two-dimensional barrier model, and the photodissociation dynamics of NOCl. The absorption spectrum of NOCl obtained from the Schrödinger–Langevin equation displays a redshift when frictional effects increase. This computational result agrees qualitatively with the experimental results in the solution-phase photochemistry of NOCl.

One-step implementation of the Toffoli gate via quantum Zeno dynamics

International Nuclear Information System (INIS)

Shao Xiaoqiang; Wang Hongfu; Chen Li; Zhang Shou; Yeon, Kyu-Hwang

2009-01-01

Based on the quantum Zeno dynamics, we present a scheme for one-step implementation of a Toffoli gate via manipulating three rf superconducting quantum interference device (SQUID) qubits to resonantly interact with a superconducting cavity. The effects of decoherence such as spontaneous emission and the loss of cavity are also considered.

Emergent mechanics, quantum and un-quantum

Science.gov (United States)

Ralston, John P.

2013-10-01

There is great interest in quantum mechanics as an "emergent" phenomenon. The program holds that nonobvious patterns and laws can emerge from complicated physical systems operating by more fundamental rules. We find a new approach where quantum mechanics itself should be viewed as an information management tool not derived from physics nor depending on physics. The main accomplishment of quantum-style theory comes in expanding the notion of probability. We construct a map from macroscopic information as data" to quantum probability. The map allows a hidden variable description for quantum states, and efficient use of the helpful tools of quantum mechanics in unlimited circumstances. Quantum dynamics via the time-dependent Shroedinger equation or operator methods actually represents a restricted class of classical Hamiltonian or Lagrangian dynamics, albeit with different numbers of degrees of freedom. We show that under wide circumstances such dynamics emerges from structureless dynamical systems. The uses of the quantum information management tools are illustrated by numerical experiments and practical applications

Dynamics of plasmonic field polarization induced by quantum coherence in quantum dot-metallic nanoshell structures.

Science.gov (United States)

Sadeghi, S M

2014-09-01

When a hybrid system consisting of a semiconductor quantum dot and a metallic nanoparticle interacts with a laser field, the plasmonic field of the metallic nanoparticle can be normalized by the quantum coherence generated in the quantum dot. In this Letter, we study the states of polarization of such a coherent-plasmonic field and demonstrate how these states can reveal unique aspects of the collective molecular properties of the hybrid system formed via coherent exciton-plasmon coupling. We show that transition between the molecular states of this system can lead to ultrafast polarization dynamics, including sudden reversal of the sense of variations of the plasmonic field and formation of circular and elliptical polarization.

Dynamical pruning of static localized basis sets in time-dependent quantum dynamics

NARCIS (Netherlands)