WorldWideScience

Sample records for quantum dynamical study

  1. 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)

  2. Quantumness-generating capability of quantum dynamics

    Science.gov (United States)

    Li, Nan; Luo, Shunlong; Mao, Yuanyuan

    2018-04-01

    We study quantumness-generating capability of quantum dynamics, where quantumness refers to the noncommutativity between the initial state and the evolving state. In terms of the commutator of the square roots of the initial state and the evolving state, we define a measure to quantify the quantumness-generating capability of quantum dynamics with respect to initial states. Quantumness-generating capability is absent in classical dynamics and hence is a fundamental characteristic of quantum dynamics. For qubit systems, we present an analytical form for this measure, by virtue of which we analyze several prototypical dynamics such as unitary dynamics, phase damping dynamics, amplitude damping dynamics, and random unitary dynamics (Pauli channels). Necessary and sufficient conditions for the monotonicity of quantumness-generating capability are also identified. Finally, we compare these conditions for the monotonicity of quantumness-generating capability with those for various Markovianities and illustrate that quantumness-generating capability and quantum Markovianity are closely related, although they capture different aspects of quantum dynamics.

  3. 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

  4. 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.

  5. 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

  6. Microscopic study of nuclear 'pasta' by quantum molecular dynamics

    International Nuclear Information System (INIS)

    Watanabe, Gentaro; Sato, Katsuhiko; Yasuoka, Kenji; Ebisuzaki, Toshikazu

    2002-01-01

    Structure of cold dense matter at subnuclear densities is investigated by quantum molecular dynamics (QMD) simulations. We succeeded in showing that the phases with slab-like and rod-like nuclei etc. and be formed dynamically from hot uniform nuclear matter without any assumptions on nuclear shape. We also observe intermediate phases, which has complicated nuclear shapes. Geometrical structures of matter are analyzed with Minkowski functionals, and it is found out that intermediate phases can be characterized as ones with negative Euler characteristic. Our result suggests the existence of these kinds of phases in addition to the simple 'pasta' phases in neutron star crusts. (author)

  7. 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.

  8. 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

  9. Dynamic quantum secret sharing

    International Nuclear Information System (INIS)

    Jia, Heng-Yue; Wen, Qiao-Yan; Gao, Fei; Qin, Su-Juan; Guo, Fen-Zhuo

    2012-01-01

    In this Letter we consider quantum secret sharing (QSS) between a sender and a dynamic agent group, called dynamic quantum secret sharing (DQSS). In the DQSS, the change of the agent group is allowable during the procedure of sharing classical and quantum information. Two DQSS schemes are proposed based on a special kind of entangled state, starlike cluster states. Without redistributing all the shares, the changed agent group can reconstruct the sender's secret by their cooperation. Compared with the previous quantum secret sharing scheme, our schemes are more flexible and suitable for practical applications. -- Highlights: ► We consider quantum secret sharing between a sender and a dynamic agent group, called dynamic quantum secret sharing (DQSS). ► In the DQSS, the change of the agent group is allowable during the procedure of sharing classical and quantum information. ► Two DQSS schemes are proposed based on a special kind of entangled state, starlike cluster states. ► Without redistributing all the shares, the changed agent group can reconstruct the sender's secret by their cooperation. ► Compared with the previous quantum secret sharing scheme, our schemes are more flexible and suitable for practical applications.

  10. 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

  11. Study of the nucleon-induced preequilibrium reactions by the quantum molecular dynamics

    International Nuclear Information System (INIS)

    Chiba, Satoshi; Chadwick, M.B.; Niita, Koji; Maruyama, Toshiki; Maruyama, Tomoyuki; Iwamoto, Akira

    1996-01-01

    The preequilibrium (nucleon-in, nucleon-out) angular distributions have been analyzed in the energy region around 100 to 200 MeV in terms of the Quantum Molecular Dynamics (QMD) theory. The step-wise contribution to the angular distribution, the effects of momentum distribution and surface refraction/reflection to the quasifree scattering have been studied. (author)

  12. Numerical simulation of trapped dipolar quantum gases: Collapse studies and vortex dynamics

    KAUST Repository

    Sparber, Christof; Markowich, Peter; Huang, Zhongyi

    2010-01-01

    We numerically study the three dimensional Gross-Pitaevskii equation for dipolar quantum gases using a time-splitting algorithm. We are mainly concerned with numerical investigations of the possible blow-up of solutions, i.e. collapse of the condensate, and the dynamics of vortices. © American Institute of Mathematical Sciences.

  13. Photocatalytic oxidation dynamics of acetone on TiO2: tight-binding quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Lv Chen; Wang Xiaojing; Agalya, Govindasamy; Koyama, Michihisa; Kubo, Momoji; Miyamoto, Akira

    2005-01-01

    The clarification of the excited states dynamics on TiO 2 surface is important subject for the design of the highly active photocatalysts. In the present study, we applied our novel tight-binding quantum chemical molecular dynamics method to the investigation on the photocatalytic oxidation dynamics of acetone by photogenerated OH radicals on the hydrated anatase TiO 2 surface. The elucidated photocatalytic reaction mechanism strongly supports the previous experimental proposal and finally the effectiveness of our new approach for the clarification of the photocatalytic reaction dynamics employing the large simulation model was confirmed

  14. 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)

  15. 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

  16. 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.

  17. 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

  18. Energetics and Dynamics of GaAs Epitaxial Growth via Quantum Wave Packet Studies

    Science.gov (United States)

    Dzegilenko, Fedor N.; Saini, Subhash (Technical Monitor)

    1998-01-01

    The dynamics of As(sub 2) molecule incorporation into the flat Ga-terminated GaAs(100) surface is studied computationally. The time-dependent Schrodinger equation is solved on a two-dimensional potential energy surface obtained using density functional theory calculations. The probabilities of trapping and subsequent dissociation of the molecular As(sub 2) bond are calculated as a function of beam translational energy and vibrational quantum number of As(sub 2).

  19. Infrared studies of impurity states and ultrafast carrier dynamics in semiconductor quantum structures

    Energy Technology Data Exchange (ETDEWEB)

    Stehr, D.

    2007-12-28

    This thesis deals with infrared studies of impurity states, ultrafast carrier dynamics as well as coherent intersubband polarizations in semiconductor quantum structures such as quantum wells and superlattices, based on the GaAs/AlGaAs material system. In the first part it is shown that the 2p{sub z} confined impurity state of a semiconductor quantum well develops into an excited impurity band in the case of a superlattice. This is studied by following theoretically the transition from a single to a multiple quantum well or superlattice by exactly diagonalizing the three-dimensional Hamiltonian for a quantum well system with random impurities. These results also require reinterpretation of previous experimental data. The relaxation dynamics of interminiband transitions in doped GaAs/AlGaAs superlattices in the mid-IR are studied. This involves single-color pump-probe measurements to explore the dynamics at different wavelengths, which is performed with the Rossendorf freeelectron laser (FEL), providing picosecond pulses in a range from 3-200 {mu}m and are used for the first time within this thesis. In these experiments, a fast bleaching of the interminiband transition is observed followed by thermalization and subsequent relaxation, whose time constants are determined to be 1-2 picoseconds. This is followed by an additional component due to carrier cooling in the lower miniband. In the second part, two-color pump-probe measurements are performed, involving the FEL as the pump source and a table-top broad-band tunable THz source for probing the transmission changes. In addition, the dynamics of excited electrons within the minibands is explored and their contribution quantitatively extracted from the measurements. Intersubband absorption experiments of photoexcited carriers in single quantum well structures, measured directly in the time-domain, i.e. probing coherently the polarization between the first and the second subband, are presented. By varying the carrier

  20. 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.)

  1. 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.

  2. 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.

  3. Dynamical study of DBI-essence in loop quantum cosmology and brane world

    Energy Technology Data Exchange (ETDEWEB)

    Bhadra, Jhumpa; Debnath, Ujjal [Bengal Engineering and Science University, Department of Mathematics, Howrah (India)

    2012-08-15

    We have studied homogeneous isotropic FRW model having dynamical dark energy DBI-essence with scalar field. Existence of cosmological scaling solutions restricts the Lagrangian of the scalar field {phi}. Choosing p=Xg(Xe{sup {lambda}{phi}}), where X=-g {sup {mu}{nu}}{partial_derivative}{sub {mu}}{phi}{partial_derivative}{sub {nu}}{phi}/2 with g any function of Xe{sup {lambda}{phi}} and defining some suitable transformations, we have constructed the dynamical system in different models of gravity: (i) Loop Quantum Cosmology (LQC), (ii) DGP brane world and (iii) RS II brane world. We have investigated stability of this dynamical system around the critical point for three gravity models and investigated the scalar-field dominated attractor solution in support of accelerated universe. The roles of the physical parameters have also been shown graphically during the accelerating phase of the universe. (orig.)

  4. Dynamical study of DBI-essence in loop quantum cosmology and brane world

    International Nuclear Information System (INIS)

    Bhadra, Jhumpa; Debnath, Ujjal

    2012-01-01

    We have studied homogeneous isotropic FRW model having dynamical dark energy DBI-essence with scalar field. Existence of cosmological scaling solutions restricts the Lagrangian of the scalar field φ. Choosing p=Xg(Xe λφ ), where X=-g μν ∂ μ φ∂ ν φ/2 with g any function of Xe λφ and defining some suitable transformations, we have constructed the dynamical system in different models of gravity: (i) Loop Quantum Cosmology (LQC), (ii) DGP brane world and (iii) RS II brane world. We have investigated stability of this dynamical system around the critical point for three gravity models and investigated the scalar-field dominated attractor solution in support of accelerated universe. The roles of the physical parameters have also been shown graphically during the accelerating phase of the universe. (orig.)

  5. Structure of Li, Be And B isotopes studied with quantum molecular dynamic model

    International Nuclear Information System (INIS)

    Abdel-Hafiez, A.; Saleh, Z.A.

    2000-01-01

    Quantum molecular dynamics (QMD) is applied to study the ground state properties of Li, Be and B isotopes. The model Hamiltonian includes both two-and three-body density dependent interactions, a Coulomb term, and a momentum dependent Pauli potential. With parameters which guarantee the infinite nuclear matter properties, the QMD model can only reproduce the binding energies for Be and B isotopes. The experimental root mean square radii of the Li, Be and B isotopes are not sufficiently reproduced by these parameters. It is shown, however, that the binding energies and root mean square radii of these isotopes can simultaneously be reproduced in the lower density limit of the potential parameters

  6. 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.)

  7. 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.)

  8. A quantum dynamics study of the benzopyran ring opening guided by laser pulses

    Science.gov (United States)

    Saab, Mohamad; Doriol, Loïc Joubert; Lasorne, Benjamin; Guérin, Stéphane; Gatti, Fabien

    2014-10-01

    The ring-opening photoisomerization of benzopyran, which occurs via a photochemical route involving a conical intersection, has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method (MCTDH). We introduce a mechanistic strategy to control the conversion of benzopyran to merocyanine with laser pulses. We use a six-dimensional model developed in a previous work for the potential energy surfaces (PES) based on an extension of the vibronic-coupling Hamiltonian model (diabatization method by ansatz), which depends on the most active degrees of freedom. The main objective of these quantum dynamics simulations is to provide a set of strategies that could help experimentalists to control the photoreactivity vs. photostability ratio (selectivity). In this work we present: (i) a pump-dump technique used to control the photostability, (ii) a two-step strategy to enhance the reactivity of the system: first, a pure vibrational excitation in the electronic ground state that prepares the system and, second, an ultraviolet excitation that brings the system to the first adiabatic electronic state; (iii) finally the effect of a non-resonant pulse (Stark effect) on the dynamics.

  9. Quantum molecular dynamics study of the Su-Schrieffer-Heeger model

    NARCIS (Netherlands)

    Michielsen, Kristel; Raedt, Hans De

    A quantum molecular dynamics technique is presented to compute the static and dynamic properties of a system of fermions coupled to classical degrees of freedom. The method is employed to investigate the properties of the Su-Schrieffer-Heeger model, an electron-phonon model which is often used to

  10. 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

  11. 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.

  12. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    International Nuclear Information System (INIS)

    Wu, Guorong; Neville, Simon P.; Schalk, Oliver; Sekikawa, Taro; Ashfold, Michael N. R.; Worth, Graham A.; Stolow, Albert

    2016-01-01

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A 2 (πσ ∗ ) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B 1 (π3p y ) Rydberg state, followed by prompt internal conversion to the A 2 (πσ ∗ ) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A 2 (πσ ∗ ) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A 2 (πσ ∗ ) state, facilitating wavepacket motion around the potential barrier in the N–CH 3 dissociation coordinate

  13. Excited state non-adiabatic dynamics of N-methylpyrrole: A time-resolved photoelectron spectroscopy and quantum dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Guorong [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Neville, Simon P. [Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Schalk, Oliver [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Physics, AlbaNova University Center, Stockholm University, Roslagstullsbacken 21, 106 91 Stockholm (Sweden); Sekikawa, Taro [Department of Applied Physics, Hokkaido University, Kita-13 Nishi-8, Kita-ku, Sapporo 060-8628 (Japan); Ashfold, Michael N. R. [School of Chemistry, University of Bristol, Bristol BS8 1TS (United Kingdom); Worth, Graham A. [School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT (United Kingdom); Stolow, Albert, E-mail: astolow@uottawa.ca [National Research Council Canada, 100 Sussex Drive, Ottawa, Ontario K1A 0R6 (Canada); Department of Chemistry, University of Ottawa, 10 Marie Curie, Ottawa, Ontario K1N 6N5 (Canada); Department of Physics, University of Ottawa, 150 Louis Pasteur, Ottawa, Ontario K1N 6N5 (Canada)

    2016-01-07

    The dynamics of N-methylpyrrole following excitation at wavelengths in the range 241.5-217.0 nm were studied using a combination of time-resolved photoelectron spectroscopy (TRPES), ab initio quantum dynamics calculations using the multi-layer multi-configurational time-dependent Hartree method, as well as high-level photoionization cross section calculations. Excitation at 241.5 and 236.2 nm results in population of the A{sub 2}(πσ{sup ∗}) state, in agreement with previous studies. Excitation at 217.0 nm prepares the previously neglected B{sub 1}(π3p{sub y}) Rydberg state, followed by prompt internal conversion to the A{sub 2}(πσ{sup ∗}) state. In contrast with the photoinduced dynamics of pyrrole, the lifetime of the wavepacket in the A{sub 2}(πσ{sup ∗}) state was found to vary with excitation wavelength, decreasing by one order of magnitude upon tuning from 241.5 nm to 236.2 nm and by more than three orders of magnitude when excited at 217.0 nm. The order of magnitude difference in lifetimes measured at the longer excitation wavelengths is attributed to vibrational excitation in the A{sub 2}(πσ{sup ∗}) state, facilitating wavepacket motion around the potential barrier in the N–CH{sub 3} dissociation coordinate.

  14. On quantum potential dynamics

    International Nuclear Information System (INIS)

    Goldstein, Sheldon; Struyve, Ward

    2015-01-01

    Non-relativistic de Broglie–Bohm theory describes particles moving under the guidance of the wave function. In de Broglie's original formulation, the particle dynamics is given by a first-order differential equation. In Bohm's reformulation, it is given by Newton's law of motion with an extra potential that depends on the wave function—the quantum potential—together with a constraint on the possible velocities. It was recently argued, mainly by numerical simulations, that relaxing this velocity constraint leads to a physically untenable theory. We provide further evidence for this by showing that for various wave functions the particles tend to escape the wave packet. In particular, we show that for a central classical potential and bound energy eigenstates the particle motion is often unbounded. This work seems particularly relevant for ways of simulating wave function evolution based on Bohm's formulation of the de Broglie–Bohm theory. Namely, the simulations may become unstable due to deviations from the velocity constraint. (paper)

  15. QTES-DFTB dynamics study on the effect of substrate motion on quantum proton transfer in soybean lipoxygenase-1

    Science.gov (United States)

    Mazzuca, James; Garashchuk, Sophya; Jakowski, Jacek

    2014-03-01

    It has been shown that the proton transfer in the enzymatic active site of soybean lipoxygenase-1 (SLO-1) occurs largely by a quantum tunneling mechanism. This study examined the role of local substrate vibrations on this proton tunneling reaction. We employ an approximate quantum trajectory (QT) dynamics method with linear quantum force. The electronic structure (ES) was calculated on-the-fly with a density functional tight binding (DFTB) method. This QTES-DFTB method scales linearly with number of trajectories, and the calculation of the quantum force is a small addition to the overall cost of trajectory dynamics. The active site was represented as a 44-atom system. Quantum effects were included only for the transferring proton, and substrate nuclei were treated classically. The effect of substrate vibrations was evaluated by freezing or relaxing the substrate nuclei. Trajectory calculations were performed at several temperatures ranging from 250-350 K, and rate constants were calculated through the quantum mechanical flux operator which depends on time-dependent correlation functions. It was found that the substrate motion reliably increases the rate constants, as well as the P/D kinetic isotope effect, by approximately 10% across all temperatures examined. NSF Grant No. CHE-1056188, APRA-NSF-EPS-0919436, and CHE-1048629, NICS Teragrid/Xsede TG-DMR110037.

  16. 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

  17. 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

  18. A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase

    International Nuclear Information System (INIS)

    Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi

    2014-01-01

    In this paper, the quantum effect of hydrogen molecule on its diffusivity is analyzed using Molecular Dynamics (MD) method. The path integral centroid MD (CMD) method is applied for the reproduction method of time evolution of the molecules. The diffusion coefficient of liquid hydrogen is calculated using the Green-Kubo method. The simulation is performed at wide temperature region and the temperature dependence of the quantum effect of hydrogen molecule is addressed. The calculation results are compared with those of classical MD results. As a result, it is confirmed that the diffusivity of hydrogen molecule is changed depending on temperature by the quantum effect. It is clarified that this result can be explained that the dominant factor by quantum effect on the diffusivity of hydrogen changes from the swollening the potential to the shallowing the potential well around 30 K. Moreover, it is found that this tendency is related to the temperature dependency of the ratio of the quantum kinetic energy and classical kinetic energy

  19. 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.

  20. 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.

  1. 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 ...

  2. 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

  3. Antwerp Advanced Study Institute on Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter

    CERN Document Server

    Camp, Piet

    1985-01-01

    The 1984 Advanced Study Institute on "Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter" took place at the Corsendonk Conference Center, close to the City of Antwerpen, from July 16 till 27, 1984. This NATO Advanced Study Institute was motivated by the research in my Institute, where, in 1971, a project was started on "ab-initio" phonon calculations in Silicon. I~ is my pleasure to thank several instances and people who made this ASI possible. First of all, the sponsor of the Institute, the NATO Scientific Committee. Next, the co-sponsors: Agfa-Gevaert, Bell Telephone Mfg. Co. N.V., C & A, Esso Belgium·, CDC Belgium, Janssens Pharmaceutica, Kredietbank and the Scientific Office of the U.S. Army. Special thanks are due to Dr. P. Van Camp and Drs. H. Nachtegaele, who, over several months, prepared the practical aspects of the ASI with the secretarial help of Mrs. R.-M. Vandekerkhof. I also like to. thank Mrs. M. Cuyvers who prepared and organized the subject and material ...

  4. 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)

  5. 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.

  6. 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

  7. 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.

  8. Dynamical quantum teleportation

    Energy Technology Data Exchange (ETDEWEB)

    Muschik, Christine [ICFO-Institut de Ciencies Fotoniques (Spain); Polzik, Eugene [Niels Bohr Institute (Denmark); Cirac, Ignacio [Max-Planck-Institute (Germany)

    2013-07-01

    We introduce two protocols for inducing non-local dynamics between two separate parties. The first scheme allows for the engineering of an interaction between the two remote systems, while the second protocol induces a dynamics in one of the parties, which is controlled by the other one. Both schemes apply to continuous variable systems, run continuously in time and are based on instantaneous feedback.

  9. Terahertz study of ultrafast carrier dynamics in InGa/GaN multiple quantum wells

    DEFF Research Database (Denmark)

    Porte, Henrik; Turchinovich, Dmitry; Cooke, David

    2009-01-01

    Ultrafast carrier dynamics in InGaN/GaN multiple quantum wells is measured by time-resolved terahertz spectroscopy. The built-in piezoelectric field is initially screened by photoexcited, polarized carriers, and is gradullay restored as the carriers recombine. We observe a nonexponential decay...... of the carrier density. Time-integrated photoluminescence spectra have shown a complete screening of the built-in piezoelectric field at high excitation fluences. We also observe that the terahertz conductivity spectra differs from simple Drude conductivity, describing the response of free carriers, and are well...

  10. 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 ...

  11. Quantum dynamics in open quantum-classical systems.

    Science.gov (United States)

    Kapral, Raymond

    2015-02-25

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

  12. 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

  13. 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 ...

  14. Molecular quantum dynamics. From theory to applications

    International Nuclear Information System (INIS)

    Gatti, Fabien

    2014-01-01

    calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

  15. 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

    introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

  16. 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.

  17. 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.

  18. 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...

  19. 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.

  20. 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.

  1. 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.

  2. Intra- und intermolecular hydrogen bonds. Spectroscopic, quantum chemical and molecular dynamics studies

    International Nuclear Information System (INIS)

    Simperler, A.

    1999-03-01

    Intra- and intermolecular H-bonds have been investigated with spectroscopic, quantum chemical, and molecular dynamics methods. The work is divided into the following three parts: 1. Intramolecular interactions in ortho-substituted phenols. Theoretical and experimental data that characterizes the intramolecular hydrogen bonds in 48 different o-substituted phenols are discussed. The study covers various kinds of O-H ... Y -type interactions (Y= N, O, S, F, Cl, Br, I, C=C, C=-C, and C-=N). The bond strength sequences for several series of systematically related compounds as obtained from IR spectroscopy data (i.e., v(OH) stretching frequencies) are discussed and reproduced with several theoretical methods (B3LYP/6-31G(d,p), B3LYP/6-311G(d,p), B3LYP/6-31++G(d,p), B3LYP/DZVP, MP2/6-31G(d,p), and MP2/6-31++G(d,p) levels of theory). The experimentally determined sequences are interpreted in terms of the intrinsic properties of the molecules: hydrogen bond distances, Mulliken partial charges, van der Waals radii, and electron densities of the Y-proton acceptors. 2. Competitive hydrogen bonds and conformational equilibria in 2,6-disubstituted phenols containing two different carbonyl substituents. The rotational isomers of ten unsymmetrical 2,6-disubstituted phenols as obtained by combinations of five different carbonyl substituents (COOH, COOCH 3 , CHO, COCH 3 , and CONH 2 ) have been theoretically investigated at the B3LYP/6-31G(d,p) level of theory. The relative stability of four to five conformers of each compound were determined by full geometry optimization for free molecules as well as for molecules in reaction fields with dielectric constants up to ε=37.5. A comparison with IR spectroscopic data of available compounds revealed excellent agreement with the theoretically predicted stability sequences and conformational equilibria. The stability of a conformer could be interpreted to be governed by the following two contributions: (i) an attractive hydrogen bond

  3. 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

  4. 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

  5. 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)

  6. 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.

  7. 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...

  8. 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

  9. 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.

  10. 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)

  11. 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.

  12. 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.

  13. A Practical Quantum Mechanics Molecular Mechanics Method for the Dynamical Study of Reactions in Biomolecules.

    Science.gov (United States)

    Mendieta-Moreno, Jesús I; Marcos-Alcalde, Iñigo; Trabada, Daniel G; Gómez-Puertas, Paulino; Ortega, José; Mendieta, Jesús

    2015-01-01

    Quantum mechanics/molecular mechanics (QM/MM) methods are excellent tools for the modeling of biomolecular reactions. Recently, we have implemented a new QM/MM method (Fireball/Amber), which combines an efficient density functional theory method (Fireball) and a well-recognized molecular dynamics package (Amber), offering an excellent balance between accuracy and sampling capabilities. Here, we present a detailed explanation of the Fireball method and Fireball/Amber implementation. We also discuss how this tool can be used to analyze reactions in biomolecules using steered molecular dynamics simulations. The potential of this approach is shown by the analysis of a reaction catalyzed by the enzyme triose-phosphate isomerase (TIM). The conformational space and energetic landscape for this reaction are analyzed without a priori assumptions about the protonation states of the different residues during the reaction. The results offer a detailed description of the reaction and reveal some new features of the catalytic mechanism. In particular, we find a new reaction mechanism that is characterized by the intramolecular proton transfer from O1 to O2 and the simultaneous proton transfer from Glu 165 to C2. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. 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.

  15. Pulsed Electrical Spin Injection into InGaAs Quantum Dots: Studies of the Electroluminescence Polarization Dynamics

    International Nuclear Information System (INIS)

    Asshoff, P.; Loeffler, W.; Fluegge, H.; Zimmer, J.; Mueller, J.; Westenfelder, B.; Hu, D. Z.; Schaadt, D. M.; Kalt, H.; Hetterich, M.

    2010-01-01

    We present time-resolved studies of the spin polarization dynamics during and after initialization through pulsed electrical spin injection into InGaAs quantum dots embedded in a p-i-n-type spin-injection light-emitting diode. Experiments are performed with pulse widths in the nanosecond range and a time-resolved single photon counting setup is used to detect the subsequent electroluminescence. We find evidence that the achieved spin polarization shows an unexpected temporal behavior, attributed mainly to many-carrier and non-equilibrium effects in the device.

  16. Theory of controlled quantum dynamics

    Energy Technology Data Exchange (ETDEWEB)

    De Martino, Salvatore; De Siena, Silvio; Illuminati, Fabrizio [Dipartimento di Fisica, Universita di Salerno, and INFN, Sezione di Napoli, Gruppo collegato di Salerno, Baronissi (Italy)

    1997-06-07

    We introduce a general formalism to obtain localized quantum wavepackets as dynamically controlled systems, in the framework of Nelson stochastic quantization. We show that in general the control is linear, and it amounts to introducing additional time-dependent terms in the potential. In this way one can construct for general systems either coherent packets following classical motion with constant dispersion, or coherent packets following classical motion whose time-dependent dispersion remains bounded for all times. We show that in the operatorial language our scheme amounts to introducing a suitable generalization to arbitrary potentials of the displacement and scaling operators that generate the coherent and squeezed states of the harmonic oscillator. (author)

  17. 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.

  18. Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies

    International Nuclear Information System (INIS)

    Bankura, Arindam; Chandra, Amalendu

    2012-01-01

    Highlights: ► A theoretical study of hydroxide ion-water clusters is carried for varying cluster size and temperature. ► The structures of OH − (H 2 O) n are found out through quantum chemical calculations for n = 4, 8, 16 and 20. ► The finite temperature behavior of the clusters is studied through ab initio dynamical simulations. ► The spectral features of OH modes (deuterated) and their dependence on hydrogen bonding states of water are discussed. ► The mechanism and kinetics of proton transfer processes in these anionic clusters are also investigated. - Abstract: We have investigated the hydration structure and dynamics of OH − (H 2 O) n clusters (n = 4, 8, 16 and 20) by means of quantum chemical and ab initio molecular dynamics calculations. Quantum chemical calculations reveal that the solvation structure of the hydroxide ion transforms from three and four-coordinated surface states to five-coordinated interior state with increase in cluster size. Several other isomeric structures with energies not very different from the most stable isomer are also found. Ab initio simulations show that the most probable configurations at higher temperatures need not be the lowest energy isomeric structure. The rates of proton transfer in these clusters are found to be slower than that in bulk water. The vibrational spectral calculations reveal distinct features for free OH (deuterated) stretch modes of water in different hydrogen bonding states. Effects of temperature on the structural and dynamical properties are also investigated for the largest cluster considered here.

  19. 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

  20. 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

  1. 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

  2. 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)

  3. 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.

  4. Quantum molecular dynamics study on energy transfer to the secondary electron in surface collision process of an ion

    International Nuclear Information System (INIS)

    Shibahara, M; Satake, S; Taniguchi, J

    2008-01-01

    In the present study the quantum molecular dynamics method was applied to an energy transfer problem to an electron during ionic surface collision process in order to elucidate how energy of ionic collision transfers to the emitted electrons. Effects of various physical parameters, such as the collision velocity and interaction strength between the observed electron and the classical particles on the energy transfer to the electron were investigated by the quantum molecular dynamics method when the potassium ion was collided with the surface so as to elucidate the energy path to the electron and the predominant factor of energy transfer to the electron. Effects of potential energy between the ion and the electron and that between the surface molecule and the electron on the electronic energy transfer were shown in the present paper. The energy transfer to the observed secondary electron through the potential energy term between the ion and the electron was much dependent on the ion collision energy although the energy increase to the observed secondary electron was not monotonous through the potential energy between the ion and surface molecules with the change of the ion collision energy

  5. 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.

  6. Chaotic scattering and quantum dynamics

    International Nuclear Information System (INIS)

    Doron, Eyal.

    1992-11-01

    The main concern of this thesis is the application of the semiclassical approximation to quantum chaotic scattering systems. We deal with two separate, although interconnected, subjects. The first subject dealt with is the semiclassical characterization of the fluctuations of the S matrix. A particular important parameter is the magnetic field B, and we show how the correlation length and line shape of S matrix elements under a change of B may be derived. An effect which is present in many physical wave systems is absorption of energy flux. We show how absorption affects both the reflectivity and the scattering phase and time delay of a scattering system. In the second part of the thesis, we show how the formalism and results obtained from chaotic scattering can be applied to the investigation of closed chaotic systems, and in particular to chaotic billiards. The semiclassical expansion for billiards is presented. In the last part of the thesis we deal with the statistics of S matrices of chaotic scattering systems. The main message of this work is that scattering matrix, and its classical counterpart the Poincare Scattering Map can be used to yield a powerful formulation of the quantum mechanical dynamics of bounded systems. (author)

  7. 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

  8. 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.

  9. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters

    International Nuclear Information System (INIS)

    Blaise, Philippe

    1998-01-01

    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)

  10. 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.

  11. 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)

  12. 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.

  13. 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.

  14. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

    Science.gov (United States)

    Sumner, Isaiah; Iyengar, Srinivasan S

    2007-10-18

    We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

  15. Quantum dynamics without the wavefunction

    International Nuclear Information System (INIS)

    Sorkin, Rafael D

    2007-01-01

    When suitably generalized and interpreted, the path integral offers an alternative to the more familiar quantal formalism based on state vectors, self-adjoint operators and external observers. Mathematically one generalizes the path-integral-as-propagator to a quantal measure μ on the space Ω of all 'conceivable worlds', and this generalized measure expresses the dynamics or law of motion of the theory, much as Wiener measure expresses the dynamics of Brownian motion. Within such 'histories-based' schemes new and more 'realistic' possibilities open up for resolving the philosophical problems of the state-vector formalism. In particular, one can dispense with the need for external agents by locating the predictive content of μ in its sets of measure zero: such sets are to be 'precluded'. But unrestricted application of this rule engenders contradictions. One possible response would remove the contradictions by circumscribing the application of the preclusion concept. Another response, more in the tradition of 'quantum logic', would accommodate the contradictions by dualizing Ω to a space of 'co-events' and effectively identifying reality with an element of this dual space

  16. 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

  17. 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.

  18. 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.

  19. Controlling the quantum rotational dynamics of a driven planar rotor ...

    Indian Academy of Sciences (India)

    Archana Shukla

    †Dedicated to the memory of late Professor Charusita Chakravarty. To a large extent the ..... study the long time quantum dynamics using only the one cycle propagator. .... distributions, including the short time rotational rain- bow features and ...

  20. Capture dynamics of hot electrons on quantum dots in RTDs studied by noise measurement

    International Nuclear Information System (INIS)

    Hees, S S; Kardynal, B E; Shields, A J; Farrer, I; Ritchie, D A

    2008-01-01

    We investigate the noise in quantum dot resonant tunnelling diodes (QDRTDs), where the quantum dots (QDs) placed in the collector experience electric fields that vary in a wide range. The trapping/detrapping of electrons on the QDs dominated the measured electrical noise. The model that we derived for the noise explains the experimental data well. The QD capture cross-section is one to two orders of magnitude smaller than the physical size of the QDs due to the reduced probability of capturing a hot electron on the QD. The model is a powerful tool to design the noise characteristics of QDRTD single photon-detectors

  1. Performance assessment of semiempirical molecular orbital methods in describing halogen bonding: quantum mechanical and quantum mechanical/molecular mechanical-molecular dynamics study.

    Science.gov (United States)

    Ibrahim, Mahmoud A A

    2011-10-24

    The performance of semiempirical molecular-orbital methods--MNDO, MNDO-d, AM1, RM1, PM3 and PM6--in describing halogen bonding was evaluated, and the results were compared with molecular mechanical (MM) and quantum mechanical (QM) data. Three types of performance were assessed: (1) geometrical optimizations and binding energy calculations for 27 halogen-containing molecules complexed with various Lewis bases (Two of the tested methods, AM1 and RM1, gave results that agree with the QM data.); (2) charge distribution calculations for halobenzene molecules, determined by calculating the solvation free energies of the molecules relative to benzene in explicit and implicit generalized Born (GB) solvents (None of the methods gave results that agree with the experimental data.); and (3) appropriateness of the semiempirical methods in the hybrid quantum-mechanical/molecular-mechanical (QM/MM) scheme, investigated by studying the molecular inhibition of CK2 protein by eight halobenzimidazole and -benzotriazole derivatives using hybrid QM/MM molecular-dynamics (MD) simulations with the inhibitor described at the QM level by the AM1 method and the rest of the system described at the MM level. The pure MM approach with inclusion of an extra point of positive charge on the halogen atom approach gave better results than the hybrid QM/MM approach involving the AM1 method. Also, in comparison with the pure MM-GBSA (generalized Born surface area) binding energies and experimental data, the calculated QM/MM-GBSA binding energies of the inhibitors were improved by replacing the G(GB,QM/MM) solvation term with the corresponding G(GB,MM) term.

  2. 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.

  3. 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.

  4. molecular dynamics simulations and quantum chemical calculations

    African Journals Online (AJOL)

    ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.

  5. 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.)

  6. 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

  7. 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)

  8. Study of the intermediate-energy nucleon-nucleus reactions in terms of the quantum molecular dynamics

    International Nuclear Information System (INIS)

    Chiba, Satoshi; Niita, Koji; Maruyama, Toshiki; Fukahori, Tokio; Takada, Hiroshi; Iwamoto, Akira

    1995-01-01

    The double-differential (p,xp') and (p,xn) reaction cross sections of 58 Ni and 90 Zr in the energy range from 120 to 200 MeV have been studied in terms of the Quantum Molecular Dynamics. It was found that the present calculation could give a quantitative explanation of experimentally observed values of both channels simultaneously without adjusting any parameter, showing the usefulness of the QMD approach to study the pre-equilibrium process in this energy region. Comparisons were also made with prediction of other theories such as Antisymmetrized Molecular Dynamics (AMD) and semiclassical distorted wave theory. Effect of the anti-symmetrization, which is in AMD but not in QMD, was found surprisingly small, being the result of QMD even slightly better. At the same time, it was found that the present calculation does not give the quasi-free peak of the 1-step cross sections similar to the semiclassical model, due probably to different treatment of the refraction and acceleration effects caused by the mean field. (author)

  9. Quantum and classical studies of collisional excitation in H + CO and two other projects in theoretical chemical dynamics

    International Nuclear Information System (INIS)

    Geiger, L.C.

    1985-01-01

    This dissertation is a collection of four projects in theoretical chemical dynamics. In the first two projects collisional excitation in H + CO was studied using the quasiclassical trajectory method and the quantum infinite order sudden approximation (QIOS). Integral cross sections calculated using these methods were found to agree well with experimental and classical IOS results. The trajectory study was also used to examine the effects of potential energy surface features on the dynamics. Two surfaces were examined: a fitted surface based on ab initio points and a global ab initio surface. Next, the quasiclassical trajectory method was used to obtain cross sections and rate constants for O + H 2 → OH + H and analogous deuterium isotope reactions. The results using the Johnson and Winter surface agreed well with those of transition state theory (TST) and experiment, except for O + HD → OH + D. TST rate constants were calculated using an ab initio surface. These results were in poor agreement with calculations using the Johnson and Winter surface. A theory of action-angle variables for coupled oscillator systems was developed in the fourth project

  10. Self-consistent mean field theory studies of the thermodynamics and quantum spin dynamics of magnetic Skyrmions.

    Science.gov (United States)

    Wieser, R

    2017-05-04

    A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S  =  1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.

  11. 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 ...

  12. 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

  13. 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.

  14. Quantum fluctuations in beam dynamics

    International Nuclear Information System (INIS)

    Kim, K.-J.

    1998-01-01

    Quantum effects could become important for particle and photon beams used in high-luminosity and high brightness applications in the current and next generation accelerators and radiation sources. This paper is a review of some of these effects

  15. Quantum Entanglement Growth under Random Unitary Dynamics

    Science.gov (United States)

    Nahum, Adam; Ruhman, Jonathan; Vijay, Sagar; Haah, Jeongwan

    2017-07-01

    Characterizing how entanglement grows with time in a many-body system, for example, after a quantum quench, is a key problem in nonequilibrium quantum physics. We study this problem for the case of random unitary dynamics, representing either Hamiltonian evolution with time-dependent noise or evolution by a random quantum circuit. Our results reveal a universal structure behind noisy entanglement growth, and also provide simple new heuristics for the "entanglement tsunami" in Hamiltonian systems without noise. In 1D, we show that noise causes the entanglement entropy across a cut to grow according to the celebrated Kardar-Parisi-Zhang (KPZ) equation. The mean entanglement grows linearly in time, while fluctuations grow like (time )1/3 and are spatially correlated over a distance ∝(time )2/3. We derive KPZ universal behavior in three complementary ways, by mapping random entanglement growth to (i) a stochastic model of a growing surface, (ii) a "minimal cut" picture, reminiscent of the Ryu-Takayanagi formula in holography, and (iii) a hydrodynamic problem involving the dynamical spreading of operators. We demonstrate KPZ universality in 1D numerically using simulations of random unitary circuits. Importantly, the leading-order time dependence of the entropy is deterministic even in the presence of noise, allowing us to propose a simple coarse grained minimal cut picture for the entanglement growth of generic Hamiltonians, even without noise, in arbitrary dimensionality. We clarify the meaning of the "velocity" of entanglement growth in the 1D entanglement tsunami. We show that in higher dimensions, noisy entanglement evolution maps to the well-studied problem of pinning of a membrane or domain wall by disorder.

  16. Quantum Entanglement Growth under Random Unitary Dynamics

    Directory of Open Access Journals (Sweden)

    Adam Nahum

    2017-07-01

    Full Text Available Characterizing how entanglement grows with time in a many-body system, for example, after a quantum quench, is a key problem in nonequilibrium quantum physics. We study this problem for the case of random unitary dynamics, representing either Hamiltonian evolution with time-dependent noise or evolution by a random quantum circuit. Our results reveal a universal structure behind noisy entanglement growth, and also provide simple new heuristics for the “entanglement tsunami” in Hamiltonian systems without noise. In 1D, we show that noise causes the entanglement entropy across a cut to grow according to the celebrated Kardar-Parisi-Zhang (KPZ equation. The mean entanglement grows linearly in time, while fluctuations grow like (time^{1/3} and are spatially correlated over a distance ∝(time^{2/3}. We derive KPZ universal behavior in three complementary ways, by mapping random entanglement growth to (i a stochastic model of a growing surface, (ii a “minimal cut” picture, reminiscent of the Ryu-Takayanagi formula in holography, and (iii a hydrodynamic problem involving the dynamical spreading of operators. We demonstrate KPZ universality in 1D numerically using simulations of random unitary circuits. Importantly, the leading-order time dependence of the entropy is deterministic even in the presence of noise, allowing us to propose a simple coarse grained minimal cut picture for the entanglement growth of generic Hamiltonians, even without noise, in arbitrary dimensionality. We clarify the meaning of the “velocity” of entanglement growth in the 1D entanglement tsunami. We show that in higher dimensions, noisy entanglement evolution maps to the well-studied problem of pinning of a membrane or domain wall by disorder.

  17. NATO Advanced Study Institute on International Summer School on Chaotic Dynamics and Transport in Classical and Quantum Systems

    CERN Document Server

    Collet, P; Métens, S; Neishtadt, A; Zaslavsky, G; Chaotic Dynamics and Transport in Classical and Quantum Systems

    2005-01-01

    This book offers a modern updated review on the most important activities in today dynamical systems and statistical mechanics by some of the best experts in the domain. It gives a contemporary and pedagogical view on theories of classical and quantum chaos and complexity in hamiltonian and ergodic systems and their applications to anomalous transport in fluids, plasmas, oceans and atom-optic devices and to control of chaotic transport. The book is issued from lecture notes of the International Summer School on "Chaotic Dynamics and Transport in Classical and Quantum Systems" held in Cargèse (Corsica) 18th to the 30th August 2003. It reflects the spirit of the School to provide lectures at the post-doctoral level on basic concepts and tools. The first part concerns ergodicity and mixing, complexity and entropy functions, SRB measures, fractal dimensions and bifurcations in hamiltonian systems. Then, models of dynamical evolutions of transport processes in classical and quantum systems have been largely expla...

  18. Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface

    Science.gov (United States)

    Liu, Tianhui; Chen, Jun; Zhang, Zhaojun; Shen, Xiangjian; Fu, Bina; Zhang, Dong H.

    2018-04-01

    We constructed a nine-dimensional (9D) potential energy surface (PES) for the dissociative chemisorption of H2O on a rigid Ni(100) surface using the neural network method based on roughly 110 000 energies obtained from extensive density functional theory (DFT) calculations. The resulting PES is accurate and smooth, based on the small fitting errors and the good agreement between the fitted PES and the direct DFT calculations. Time dependent wave packet calculations also showed that the PES is very well converged with respect to the fitting procedure. The dissociation probabilities of H2O initially in the ground rovibrational state from 9D quantum dynamics calculations are quite different from the site-specific results from the seven-dimensional (7D) calculations, indicating the importance of full-dimensional quantum dynamics to quantitatively characterize this gas-surface reaction. It is found that the validity of the site-averaging approximation with exact potential holds well, where the site-averaging dissociation probability over 15 fixed impact sites obtained from 7D quantum dynamics calculations can accurately approximate the 9D dissociation probability for H2O in the ground rovibrational state.

  19. 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.

  20. 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.

  1. 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.

  2. 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-...

  3. 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...

  4. 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

  5. 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)

  6. QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites.

    Science.gov (United States)

    Correa-Basurto, J; Bello, M; Rosales-Hernández, M C; Hernández-Rodríguez, M; Nicolás-Vázquez, I; Rojo-Domínguez, A; Trujillo-Ferrara, J G; Miranda, René; Flores-Sandoval, C A

    2014-02-25

    A set of 84 known N-aryl-monosubstituted derivatives (42 amides: series 1 and 2, and 42 imides: series 3 an 4, from maleic and succinic anhydrides, respectively) that display inhibitory activity toward both acetylcholinesterase and butyrylcholinesterase (ChEs) was considered for Quantitative structure-activity relationship (QSAR) studies. These QSAR studies employed docking data from both ChEs that were previously submitted to molecular dynamics (MD) simulations. Donepezil and galanthamine stereoisomers were included to analyze their quantum mechanics properties and for validating the docking procedure. Quantum parameters such as frontier orbital energies, dipole moment, molecular volume, atomic charges, bond length and reactivity parameters were measured, as well as partition coefficients, molar refractivity and polarizability were also analyzed. In order to evaluate the obtained equations, four compounds: 1a (4-oxo-4-(phenylamino)butanoic acid), 2a ((2Z)-4-oxo-4-(phenylamino)but-2-enoic acid), 3a (2-phenylcyclopentane-1,3-dione) and 4a (2-phenylcyclopent-4-ene-1,3-dione) were employed as independent data set, using only equations with r(m(test))²>0.5. It was observed that residual values gave low value in almost all series, excepting in series 1 for compounds 3a and 4a, and in series 4 for compounds 1a, 2a and 3a, giving a low value for 4a. Consequently, equations seems to be specific according to the structure of the evaluated compound, that means, series 1 fits better for compound 1a, series 3 or 4 fits better for compounds 3a or 4a. Same behavior was observed in the butyrylcholinesterase (BChE). Therefore, obtained equations in this QSAR study could be employed to calculate the inhibition constant (Ki) value for compounds having a similar structure as N-aryl derivatives described here. The QSAR study showed that bond lengths, molecular electrostatic potential and frontier orbital energies are important in both ChE targets. Docking studies revealed that

  7. A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex

    Science.gov (United States)

    Gonzalez, Megan E.; Eckert, Juergen; Aquino, Adelia J. A.; Poirier, Bill

    2018-04-01

    Progress in the hydrogen fuel field requires a clear understanding and characterization of how materials of interest interact with hydrogen. Due to the inherently quantum mechanical nature of hydrogen nuclei, any theoretical studies of these systems must be treated quantum dynamically. One class of material that has been examined in this context are dihydrogen complexes. Since their discovery by Kubas in 1984, many such complexes have been studied both experimentally and theoretically. This particular study examines the rotational dynamics of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 complex, allowing for full motion in both the rotational degrees of freedom and treating the quantum dynamics (QD) explicitly. A "gas-phase" global potential energy surface is first constructed using density functional theory with the Becke, 3-parameter, Lee-Yang-Parr functional; this is followed by an exact QD calculation of the corresponding rotation/libration states. The results provide insight into the dynamical correlation of the two rotation angles as well as a comprehensive analysis of both ground- and excited-state librational tunneling splittings. The latter was computed to be 6.914 cm-1—in excellent agreement with the experimental value of 6.4 cm-1. This work represents the first full-dimensional ab initio exact QD calculation ever performed for dihydrogen ligand rotation in a coordination complex.

  8. 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.

  9. 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

  10. 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

  11. Dynamical parasupersymmetries in quantum mechanics

    International Nuclear Information System (INIS)

    Durand, S.; Vinet, L.

    1990-01-01

    This paper reports on supersymmetric field theories that have the distinctive feature of being invariant under transformations that mix bosonic and fermionic variables. Reduction to 0 + 1 dimensions yields mechanical models with an analogous invariance. In this case, the Grassmannian variables are interpreted as describing (classically) the spin degrees of freedom of the particles involved. After canonical quantization, the corresponding quantities obey the standard anticommutation relations of fermionic creation and annihilation operators. It is known that paraquantitization offers alternative to the usual quantization scheme. In this framework, one can expect that it is possible to construct parasupersymmetric theories, that is, theories which are invariant under transformations between bosonic and parafermionic variables. As a matter of fact, Rubakov and Spiridonov has recently shown how the parasupersymmetric generalization of supersymmetric Quantum Mechanics proceeds. In this case, the fermionic creation and annihilation operators obey paracommutation relations. The applications of supersymmetric Quantum Mechanics are many. One might hope that its parasupersymmetric generalization will be as useful. The elaboration of parasupersymmeric Quantum Mechanics moreover has led to new mathematical constructs; indeed, the symmetry generators realize algebras involving products of degree higher than 2

  12. 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.

  13. Phase space approach to quantum dynamics

    International Nuclear Information System (INIS)

    Leboeuf, P.

    1991-03-01

    The Schroedinger equation for the time propagation of states of a quantised two-dimensional spherical phase space is replaced by the dynamics of a system of N particles lying in phase space. This is done through factorization formulae of analytic function theory arising in coherent-state representation, the 'particles' being the zeros of the quantum state. For linear Hamiltonians, like a spin in a uniform magnetic field, the motion of the particles is classical. However, non-linear terms induce interactions between the particles. Their time propagation is studied and it is shown that, contrary to integrable systems, for chaotic maps they tend to fill, as their classical counterpart, the whole phase space. (author) 13 refs., 3 figs

  14. 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.

  15. 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

  16. 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....

  17. 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

  18. 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

  19. 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.

  20. 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

  1. 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)

  2. Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study

    International Nuclear Information System (INIS)

    Prosmiti, R; Arismendi-Arrieta, D J; Valdés, Á

    2015-01-01

    Clathrate hydrates have been found to occur naturally, and have been extensively studied due to their important industrial applications, such as the storage of the CO 2 from the atmosphere and control climate change. Thus, quantitative understanding of physical and chemical properties, as well as the factors that control the formation of CO 2 hydrates, on both macroscopic and microscopic levels is essential in several areas of physical science. (paper)

  3. Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3

    Science.gov (United States)

    Wang, Dunyou; Kwak, Dochan (Technical Monitor)

    2002-01-01

    Time-dependent wave-packet-propagation calculations are reported for the isotopic reactions, HD + CH3 and D2 + CH3, in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probabilities for different initial rotational-vibrational states are presented in this study. This study shows that excitations of the HD(D2) enhances the reactivities; whereas the excitations of the CH3 umbrella mode have the opposite effects. This is consistent with the reaction of H2 + CH3. The comparison of these three isotopic reactions also shows the isotopic effects in the initial-state-selected reaction probabilities. The cumulative reaction probabilities (CRP) are obtained by summing over initial-state-selected reaction probabilities. The energy-shift approximation to account for the contribution of degrees of freedom missing in the six dimensionality calculation is employed to obtain approximate full-dimensional CRPs. The rate constant comparison shows H2 + CH3 reaction has the biggest reactivity, then HD + CH3, and D2 + CH3 has the smallest.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Testing quantum dynamics in genetic information processing

    Indian Academy of Sciences (India)

    Unknown

    Centre for Theoretical Studies, and Supercomputer Education and Research Centre,. Indian Institute .... values of a and comparing their replication rates, we can experimentally ... This is a substantial tolerance margin for the quantum algorithm ...

  9. 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

  10. Azobenzene as a photoregulator covalently attached to RNA: a quantum mechanics/molecular mechanics-surface hopping dynamics study.

    Science.gov (United States)

    Mondal, Padmabati; Granucci, Giovanni; Rastädter, Dominique; Persico, Maurizio; Burghardt, Irene

    2018-05-28

    The photoregulation of nucleic acids by azobenzene photoswitches has recently attracted considerable interest in the context of emerging biotechnological applications. To understand the mechanism of photoinduced isomerisation and conformational control in these complex biological environments, we employ a Quantum Mechanics/Molecular Mechanics (QM/MM) approach in conjunction with nonadiabatic Surface Hopping (SH) dynamics. Two representative RNA-azobenzene complexes are investigated, both of which contain the azobenzene chromophore covalently attached to an RNA double strand via a β-deoxyribose linker. Due to the pronounced constraints of the local RNA environment, it is found that trans -to- cis isomerization is slowed down to a time scale of ∼10-15 picoseconds, in contrast to 500 femtoseconds in vacuo , with a quantum yield reduced by a factor of two. By contrast, cis -to- trans isomerization remains in a sub-picosecond regime. A volume-conserving isomerization mechanism is found, similarly to the pedal-like mechanism previously identified for azobenzene in solution phase. Strikingly, the chiral RNA environment induces opposite right-handed and left-handed helicities of the ground-state cis -azobenzene chromophore in the two RNA-azobenzene complexes, along with an almost completely chirality conserving photochemical pathway for these helical enantiomers.

  11. Hydration dynamics in water clusters via quantum molecular dynamics simulations

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-05-28

    We have investigated the hydration dynamics in size selected water clusters with n = 66, 104, 200, 500, and 1000 water molecules using molecular dynamics simulations. To study the most fundamental aspects of relaxation phenomena in clusters, we choose one of the simplest, still realistic, quantum mechanically treated test solute, an excess electron. The project focuses on the time evolution of the clusters following two processes, electron attachment to neutral equilibrated water clusters and electron detachment from an equilibrated water cluster anion. The relaxation dynamics is significantly different in the two processes, most notably restoring the equilibrium final state is less effective after electron attachment. Nevertheless, in both scenarios only minor cluster size dependence is observed. Significantly different relaxation patterns characterize electron detachment for interior and surface state clusters, interior state clusters relaxing significantly faster. This observation may indicate a potential way to distinguish surface state and interior state water cluster anion isomers experimentally. A comparison of equilibrium and non-equilibrium trajectories suggests that linear response theory breaks down for electron attachment at 200 K, but the results converge to reasonable agreement at higher temperatures. Relaxation following electron detachment clearly belongs to the linear regime. Cluster relaxation was also investigated using two different computational models, one preferring cavity type interior states for the excess electron in bulk water, while the other simulating non-cavity structure. While the cavity model predicts appearance of several different hydrated electron isomers in agreement with experiment, the non-cavity model locates only cluster anions with interior excess electron distribution. The present simulations show that surface isomers computed with the cavity predicting potential show similar dynamical behavior to the interior clusters of

  12. Dynamics of quantum wave packets

    International Nuclear Information System (INIS)

    Gosnell, T.R.; Taylor, A.J.; Rodriguez, G.; Clement, T.S.

    1998-01-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The objective of this project was to develop ultrafast laser techniques for the creation and measurement of quantum vibrational wave packets in gas phase diatomic molecules. Moreover, the authors sought to manipulate the constitution of these wave packets in terms of harmonic-oscillator basis wavefunctions by manipulating the time-dependent amplitude and phase of the incident ultrashort laser pulse. They specifically investigated gaseous diatomic potassium (K 2 ), and discovered variations in the shape of the wave packets as a result of changing the linear chirp in the ultrashort preparation pulse. In particular, they found evidence for wave-packet compression for a specific degree of chirp. Important ancillary results include development of new techniques for denoising and deconvolution of femtosecond time traces and techniques for diagnosing the phase and amplitude of the electric field of femtosecond laser pulses

  13. Theoretical study of quantum molecular reaction dynamics and of the effects of intense laser radiation on a diatomic molecule

    International Nuclear Information System (INIS)

    Dardi, P.S.

    1984-11-01

    Within the very broad field of molecular dynamics, we have concentrated on two simple yet important systems. The systems are simple enough so that they are adequately described with a single Born-Oppenheimer potential energy surface and that the dynamics can be calculated accurately. They are important because they give insight into solving more complicated systems. First we discuss H + H 2 reactive scattering. We present an exact formalism for atom-diatom reactive scattering which avoids the problem of finding a coordinate system appropriate for both reactants and products. We present computational results for collinear H + H 2 reactive scattering which agree very well with previous calculations. We also present a coupled channel distorted wave Born approximation for atom-diatom reactive scattering which we show is a first order approximation to our exact formalism. We present coupled channel DWBA results for three dimensional H + H 2 reactive scattering. The second system is an isolated HF molecule in an intense laser field. Using classical trajectories and quantum dynamics, we look at energy absorbed and transition probabilities as a function of the laser pulse time and also averaged over the pulse time. Calculations are performed for both rotating and nonrotating HF. We examine one and two photon absorption about the fundamental frequency, multiphoton absorption, and overtone absorption. 127 references, 31 figures, 12 tables

  14. Theoretical study of quantum molecular reaction dynamics and of the effects of intense laser radiation on a diatomic molecule

    Energy Technology Data Exchange (ETDEWEB)

    Dardi, P.S.

    1984-11-01

    Within the very broad field of molecular dynamics, we have concentrated on two simple yet important systems. The systems are simple enough so that they are adequately described with a single Born-Oppenheimer potential energy surface and that the dynamics can be calculated accurately. They are important because they give insight into solving more complicated systems. First we discuss H + H/sub 2/ reactive scattering. We present an exact formalism for atom-diatom reactive scattering which avoids the problem of finding a coordinate system appropriate for both reactants and products. We present computational results for collinear H + H/sub 2/ reactive scattering which agree very well with previous calculations. We also present a coupled channel distorted wave Born approximation for atom-diatom reactive scattering which we show is a first order approximation to our exact formalism. We present coupled channel DWBA results for three dimensional H + H/sub 2/ reactive scattering. The second system is an isolated HF molecule in an intense laser field. Using classical trajectories and quantum dynamics, we look at energy absorbed and transition probabilities as a function of the laser pulse time and also averaged over the pulse time. Calculations are performed for both rotating and nonrotating HF. We examine one and two photon absorption about the fundamental frequency, multiphoton absorption, and overtone absorption. 127 references, 31 figures, 12 tables.

  15. Computational methods to study the structure and dynamics of biomolecules and biomolecular processes from bioinformatics to molecular quantum mechanics

    CERN Document Server

    2014-01-01

    Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over t...

  16. 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.

  17. The Wigner semi-circle law in quantum electro dynamics

    International Nuclear Information System (INIS)

    Accardi, L.; Nagoya Univ.; Lu, Y.G.; Nagoya Univ.

    1996-01-01

    In the present paper, the basic ideas of the stochastic limit of quantum theory are applied to quantum electro-dynamics. This naturally leads to the study of a new type of quantum stochastic calculus on a Hilbert module. Our main result is that in the weak coupling limit of a system composed of a free particle (electron, atom,..) interacting, via the minimal coupling, with the quantum electromagnetic field, a new type of quantum noise arises, living on a Hilbert module rather than a Hilbert space. Moreover we prove that the vacuum distribution of the limiting field operator is not Gaussian, as usual, but a nonlinear deformation of the Wigner semi-circle law. A third new object arising from the present theory, is the so-called interacting Fock space. A kind of Fock space in which the n quanta, in the n-particle space, are not independent, but interact. The origin of all these new features is that we do not introduce the dipole approximation, but we keep the exponential response term, coupling the electron to the quantum electromagnetic field. This produces a nonlinear interaction among all the modes of the limit master field (quantum noise) whose explicit expression, that we find, can be considered as a nonlinear generalization of the Fermi golden rule. (orig.)

  18. 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.

  19. 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.

  20. 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

  1. 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.)

  2. 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

  3. 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...

  4. 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

  5. Quantum dynamical framework for Brownian heat engines

    Science.gov (United States)

    Agarwal, G. S.; Chaturvedi, S.

    2013-07-01

    We present a self-contained formalism modeled after the Brownian motion of a quantum harmonic oscillator for describing the performance of microscopic Brownian heat engines such as Carnot, Stirling, and Otto engines. Our theory, besides reproducing the standard thermodynamics results in the steady state, enables us to study the role dissipation plays in determining the efficiency of Brownian heat engines under actual laboratory conditions. In particular, we analyze in detail the dynamics associated with decoupling a system in equilibrium with one bath and recoupling it to another bath and obtain exact analytical results, which are shown to have significant ramifications on the efficiencies of engines involving such a step. We also develop a simple yet powerful technique for computing corrections to the steady state results arising from finite operation time and use it to arrive at the thermodynamic complementarity relations for various operating conditions and also to compute the efficiencies of the three engines cited above at maximum power. Some of the methods and exactly solvable models presented here are interesting in their own right and could find useful applications in other contexts as well.

  6. Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods

    International Nuclear Information System (INIS)

    Wang, Yan; Li, Jun; Guo, Hua; Chen, Liuyang; Yang, Minghui; Lu, Yunpeng

    2015-01-01

    An eight-dimensional quantum dynamical model is proposed and applied to the title reaction. The reaction probabilities and integral cross sections have been determined for both the ground and excited vibrational states of the two reactants. The results indicate that the H 2 stretching and CH 3 umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH 3 symmetric stretching mode has a negligible effect. The observed mode specificity is confirmed by full-dimensional quasi-classical trajectory calculations. The mode specificity can be interpreted by the recently proposed sudden vector projection model, which attributes the enhancement effects of the reactant modes to their strong couplings with the reaction coordinate at the transition state

  7. Quantum corrections to inflaton and curvaton dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Markkanen, Tommi [Helsinki Institute of Physics and Department of Physics, University of Helsinki, P.O. Box 64, FI-00014, Helsinki (Finland); Tranberg, Anders, E-mail: tommi.markkanen@helsinki.fi, E-mail: anders.tranberg@nbi.dk [Niels Bohr International Academy and Discovery Center, Niels Bohr Institute, Blegdamsvej 17, 2100 Copenhagen (Denmark)

    2012-11-01

    We compute the fully renormalized one-loop effective action for two interacting and self-interacting scalar fields in FRW space-time. We then derive and solve the quantum corrected equations of motion both for fields that dominate the energy density (such as an inflaton) and fields that do not (such as a subdominant curvaton). In particular, we introduce quantum corrected Friedmann equations that determine the evolution of the scale factor. We find that in general, gravitational corrections are negligible for the field dynamics. For the curvaton-type fields this leaves only the effect of the flat-space Coleman-Weinberg-type effective potential, and we find that these can be significant. For the inflaton case, both the corrections to the potential and the Friedmann equations can lead to behaviour very different from the classical evolution. Even to the point that inflation, although present at tree level, can be absent at one-loop order.

  8. Lattice constants of pure methane and carbon dioxide hydrates at low temperatures. Implementing quantum corrections to classical molecular dynamics studies

    Energy Technology Data Exchange (ETDEWEB)

    Costandy, Joseph; Michalis, Vasileios K.; Economou, Ioannis G., E-mail: i.tsimpanogiannis@qatar.tamu.edu, E-mail: ioannis.economou@qatar.tamu.edu [Chemical Engineering Program, Texas A& M University at Qatar, P.O. Box 23874, Doha (Qatar); Tsimpanogiannis, Ioannis N., E-mail: i.tsimpanogiannis@qatar.tamu.edu, E-mail: ioannis.economou@qatar.tamu.edu [Chemical Engineering Program, Texas A& M University at Qatar, P.O. Box 23874, Doha (Qatar); Environmental Research Laboratory, National Center for Scientific Research NCSR “Demokritos,” 15310 Aghia Paraskevi, Attikis (Greece); Stubos, Athanassios K. [Environmental Research Laboratory, National Center for Scientific Research NCSR “Demokritos,” 15310 Aghia Paraskevi, Attikis (Greece)

    2016-03-28

    We introduce a simple correction to the calculation of the lattice constants of fully occupied structure sI methane or carbon dioxide pure hydrates that are obtained from classical molecular dynamics simulations using the TIP4PQ/2005 water force field. The obtained corrected lattice constants are subsequently used in order to obtain isobaric thermal expansion coefficients of the pure gas hydrates that exhibit a trend that is significantly closer to the experimental behavior than previously reported classical molecular dynamics studies.

  9. 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)

  10. 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

  11. Dynamics of a Simple Quantum System in a Complex Environment

    CERN Document Server

    Bulgac, A; Kusnezov, D; Bulgac, Aurel; Dang, Gui Do; Kusnezov, Dimitri

    1998-01-01

    We present a theory for the dynamical evolution of a quantum system coupled to a complex many-body intrinsic system/environment. By modelling the intrinsic many-body system with parametric random matrices, we study the types of effective stochastic models which emerge from random matrix theory. Using the Feynman-Vernon path integral formalism, we derive the influence functional and obtain either analytical or numerical solutions for the time evolution of the entire quantum system. We discuss thoroughly the structure of the solutions for some representative cases and make connections to well known limiting results, particularly to Brownian motion, Kramers classical limit and the Caldeira-Leggett approach.

  12. Photo-Induced Spin Dynamics in Semiconductor Quantum Wells.

    Science.gov (United States)

    Miah, M Idrish

    2009-01-17

    We experimentally investigate the dynamics of spins in GaAs quantum wells under applied electric bias by photoluminescence (PL) measurements excited with circularly polarized light. The bias-dependent circular polarization of PL (P(PL)) with and without magnetic field is studied. The P(PL) without magnetic field is found to be decayed with an enhancement of increasing the strength of the negative bias. However, P(PL) in a transverse magnetic field shows oscillations under an electric bias, indicating that the precession of electron spin occurs in quantum wells. The results are discussed based on the electron-hole exchange interaction in the electric field.

  13. Photo-Induced Spin Dynamics in Semiconductor Quantum Wells

    Directory of Open Access Journals (Sweden)

    Miah M

    2009-01-01

    Full Text Available Abstract We experimentally investigate the dynamics of spins in GaAs quantum wells under applied electric bias by photoluminescence (PL measurements excited with circularly polarized light. The bias-dependent circular polarization of PL (P PL with and without magnetic field is studied. TheP PLwithout magnetic field is found to be decayed with an enhancement of increasing the strength of the negative bias. However,P PLin a transverse magnetic field shows oscillations under an electric bias, indicating that the precession of electron spin occurs in quantum wells. The results are discussed based on the electron–hole exchange interaction in the electric field.

  14. 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

  15. A Comparative Study of [CaEDTA](2-) and [MgEDTA](2-): Structural and Dynamical Insights from Quantum Mechanical Charge Field Molecular Dynamics.

    Science.gov (United States)

    Tirler, Andreas O; Hofer, Thomas S

    2015-07-09

    Structure and dynamics of [MgEDTA](2-) and [CaEDTA](2-) complexes in aqueous solution have been investigated via quantum mechanical/molecular mechanical (QM/MM) simulations. While for the first a 6-fold octahedral complex has been observed, the presence of an additional coordinating water ligand has been observed in the latter case. Because of rapidly exchanging water molecules, this 7-fold coordination complex was found to form pentagonal bipyramidal as well as capped trigonal prismatic configurations along the simulation interchanging on the picosecond time scale. Also in the case of [MgEDTA](2-) a trigonal prismatic configuration has been observed for a very short time period of approximately 1 ps. This work reports for the first time the presence of trigonal prismatic structures observed in the coordination sphere of [MgEDTA](2-) and [CaEDTA](2-) complexes in aqueous solution. In addition to the detailed characterization of structure and dynamics of the systems, the prediction of the associated infrared spectra indicates that the ion-water vibrational mode found at approximately 250 cm(-1) provides a distinctive measure to experimentally detect the presence of the coordinating water molecule via low-frequency IR setups.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. Orthonormal Wavelet Bases for Quantum Molecular Dynamics

    International Nuclear Information System (INIS)

    Tymczak, C.; Wang, X.

    1997-01-01

    We report on the use of compactly supported, orthonormal wavelet bases for quantum molecular-dynamics (Car-Parrinello) algorithms. A wavelet selection scheme is developed and tested for prototypical problems, such as the three-dimensional harmonic oscillator, the hydrogen atom, and the local density approximation to atomic and molecular systems. Our method shows systematic convergence with increased grid size, along with improvement on compression rates, thereby yielding an optimal grid for self-consistent electronic structure calculations. copyright 1997 The American Physical Society

  1. Parallelization of quantum molecular dynamics simulation code

    International Nuclear Information System (INIS)

    Kato, Kaori; Kunugi, Tomoaki; Shibahara, Masahiko; Kotake, Susumu

    1998-02-01

    A quantum molecular dynamics simulation code has been developed for the analysis of the thermalization of photon energies in the molecule or materials in Kansai Research Establishment. The simulation code is parallelized for both Scalar massively parallel computer (Intel Paragon XP/S75) and Vector parallel computer (Fujitsu VPP300/12). Scalable speed-up has been obtained with a distribution to processor units by division of particle group in both parallel computers. As a result of distribution to processor units not only by particle group but also by the particles calculation that is constructed with fine calculations, highly parallelization performance is achieved in Intel Paragon XP/S75. (author)

  2. Computational approach to large quantum dynamical problems

    International Nuclear Information System (INIS)

    Friesner, R.A.; Brunet, J.P.; Wyatt, R.E.; Leforestier, C.; Binkley, S.

    1987-01-01

    The organizational structure is described for a new program that permits computations on a variety of quantum mechanical problems in chemical dynamics and spectroscopy. Particular attention is devoted to developing and using algorithms that exploit the capabilities of current vector supercomputers. A key component in this procedure is the recursive transformation of the large sparse Hamiltonian matrix into a much smaller tridiagonal matrix. An application to time-dependent laser molecule energy transfer is presented. Rate of energy deposition in the multimode molecule for systematic variations in the molecular intermode coupling parameters is emphasized

  3. Quantum chromodynamics as dynamics of loops

    International Nuclear Information System (INIS)

    Makeenko, Yu.; Migdal, A.A.

    1980-01-01

    The problem of a possibility of reformulating quantum chromodynamics (QCD) in terms of colourless composite fields instead of coloured quarks and gluons is considered. The role of such fields is played by the gauge invariant loop functionals. The Shwinger equations of motion is derived in the loop space which completely describe dynamics of the loop fields. New manifestly gauge invariant diagram technique in the loop space is developed. These diagrams reproduce asymptotic freedom in the ultraviolet range and are consistent with the confinement law in the infrared range

  4. 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.

  5. Discrete ergodic Jacobi matrices: Spectral properties and Quantum dynamical bounds

    OpenAIRE

    Han, Rui

    2017-01-01

    In this thesis we study discrete quasiperiodic Jacobi operators as well as ergodic operators driven by more general zero topological entropy dynamics. Such operators are deeply connected to physics (quantum Hall effect and graphene) and have enjoyed great attention from mathematics (e.g. several of Simon’s problems). The thesis has two main themes. First, to study spectral properties of quasiperiodic Jacobi matrices, in particular when off-diagonal sampling function has non-zero winding numbe...

  6. 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'.

  7. Mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon-tetrachloride mixtures II: excited state hydrogen bonding structure and dynamics, infrared emission spectrum, and excited state lifetime.

    Science.gov (United States)

    Kwac, Kijeong; Geva, Eitan

    2012-03-08

    We present a mixed quantum-classical molecular dynamics study of the hydrogen-bonding structure and dynamics of a vibrationally excited hydroxyl stretch in methanol/carbon-tetrachloride mixtures. The adiabatic Hamiltonian of the quantum-mechanical hydroxyl is diagonalized on-the-fly to obtain the ground and first-excited adiabatic energy levels and wave functions which depend parametrically on the instantaneous configuration of the classical degrees of freedom. The dynamics of the classical degrees of freedom are determined by Hellmann-Feynman forces obtained by taking the expectation value of the force with respect to the ground or excited vibrational wave functions. Polarizable force fields are used which were previously shown to reproduce the experimental infrared absorption spectrum rather well, for different isotopomers and over a wide composition range [Kwac, K.; Geva, E. J. Phys. Chem. B 2011, 115, 9184]. We show that the agreement of the absorption spectra with experiment can be further improved by accounting for the dependence of the dipole moment derivatives on the configuration of the classical degrees of freedom. We find that the propensity of a methanol molecule to form hydrogen bonds increases upon photoexcitation of its hydroxyl stretch, thereby leading to a sizable red-shift of the corresponding emission spectrum relative to the absorption spectrum. Treating the relaxation from the first excited to the ground state as a nonadiabatic process, and calculating its rate within the framework of Fermi's golden rule and the harmonic-Schofield quantum correction factor, we were able to predict a lifetime which is of the same order of magnitude as the experimental value. The experimental dependence of the lifetime on the transition frequency is also reproduced. Nonlinear mapping relations between the hydroxyl transition frequency and bond length in the excited state and the electric field along the hydroxyl bond axis are established. These mapping relations

  8. Complex dynamics in planar two-electron quantum dots

    International Nuclear Information System (INIS)

    Schroeter, Sebastian Josef Arthur

    2013-01-01

    Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two-electron quantum dots an

  9. Complex dynamics in planar two-electron quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Schroeter, Sebastian Josef Arthur

    2013-06-25

    Quantum dots play an important role in a wide range of recent experimental and technological developments. In particular they are promising candidates for realisations of quantum bits and further applications in quantum information theory. The harmonically confined Hooke's atom model is experimentally verified and separates in centre-of-mass and relative coordinates. Findings that are contradictory to this separability call for an extension of the model, in particular changing the confinement potential. In order to study effects of an anharmonic confinement potential on spectral properties of planar two-electron quantum dots a sophisticated numerical approach is developed. Comparison between the Helium atom, Hooke's atom and an anharmonic potential model are undertaken in order to improve the description of quantum dots. Classical and quantum features of complexity and chaos are investigated and used to characterise the dynamics of the system to be mixed regular-chaotic. Influence of decoherence can be described by quantum fidelity, which measures the effect of a perturbation on the time evolution. The quantum fidelity of eigenstates of the system depends strongly on the properties of the perturbation. Several methods for solving the time-dependent Schrödinger equation are implemented and a high level of accuracy for long time evolutions is achieved. The concept of offset entanglement, the entanglement of harmonic models in the noninteracting limit, is introduced. This concept explains different questions raised in the literature for harmonic quantum dot models, recently. It shows that only in the groundstate the electrons are not entangled in the fermionic sense. The applicability, validity, and origin of Hund's first rule in general quantum dot models is further addressed. In fact Hund's first rule is only applicable, and in this case also valid, for one pair of singlet and triplet states in Hooke's atom. For more realistic models of two

  10. Modeling quantum fluid dynamics at nonzero temperatures

    Science.gov (United States)

    Berloff, Natalia G.; Brachet, Marc; Proukakis, Nick P.

    2014-01-01

    The detailed understanding of the intricate dynamics of quantum fluids, in particular in the rapidly growing subfield of quantum turbulence which elucidates the evolution of a vortex tangle in a superfluid, requires an in-depth understanding of the role of finite temperature in such systems. The Landau two-fluid model is the most successful hydrodynamical theory of superfluid helium, but by the nature of the scale separations it cannot give an adequate description of the processes involving vortex dynamics and interactions. In our contribution we introduce a framework based on a nonlinear classical-field equation that is mathematically identical to the Landau model and provides a mechanism for severing and coalescence of vortex lines, so that the questions related to the behavior of quantized vortices can be addressed self-consistently. The correct equation of state as well as nonlocality of interactions that leads to the existence of the roton minimum can also be introduced in such description. We review and apply the ideas developed for finite-temperature description of weakly interacting Bose gases as possible extensions and numerical refinements of the proposed method. We apply this method to elucidate the behavior of the vortices during expansion and contraction following the change in applied pressure. We show that at low temperatures, during the contraction of the vortex core as the negative pressure grows back to positive values, the vortex line density grows through a mechanism of vortex multiplication. This mechanism is suppressed at high temperatures. PMID:24704874

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Single-Particle Quantum Dynamics in a Magnetic Lattice

    Energy Technology Data Exchange (ETDEWEB)

    Venturini, Marco

    2001-02-01

    We study the quantum dynamics of a spinless charged-particle propagating through a magnetic lattice in a transport line or storage ring. Starting from the Klein-Gordon equation and by applying the paraxial approximation, we derive a Schroedinger-like equation for the betatron motion. A suitable unitary transformation reduces the problem to that of a simple harmonic oscillator. As a result we are able to find an explicit expression for the particle wavefunction.

  18. 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

  19. 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.

  20. Quantum dynamical simulations of local field enhancement in metal nanoparticles.

    Science.gov (United States)

    Negre, Christian F A; Perassi, Eduardo M; Coronado, Eduardo A; Sánchez, Cristián G

    2013-03-27

    Field enhancements (Γ) around small Ag nanoparticles (NPs) are calculated using a quantum dynamical simulation formalism and the results are compared with electrodynamic simulations using the discrete dipole approximation (DDA) in order to address the important issue of the intrinsic atomistic structure of NPs. Quite remarkably, in both quantum and classical approaches the highest values of Γ are located in the same regions around single NPs. However, by introducing a complete atomistic description of the metallic NPs in optical simulations, a different pattern of the Γ distribution is obtained. Knowing the correct pattern of the Γ distribution around NPs is crucial for understanding the spectroscopic features of molecules inside hot spots. The enhancement produced by surface plasmon coupling is studied by using both approaches in NP dimers for different inter-particle distances. The results show that the trend of the variation of Γ versus inter-particle distance is different for classical and quantum simulations. This difference is explained in terms of a charge transfer mechanism that cannot be obtained with classical electrodynamics. Finally, time dependent distribution of the enhancement factor is simulated by introducing a time dependent field perturbation into the Hamiltonian, allowing an assessment of the localized surface plasmon resonance quantum dynamics.

  1. 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.

  2. Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

    Science.gov (United States)

    Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

    2016-03-21

    We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

  3. 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.

  4. Approximation of quantum observables by molecular dynamics simulations

    KAUST Repository

    Sandberg, Mattias

    2016-01-01

    In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.

  5. Approximation of quantum observables by molecular dynamics simulations

    KAUST Repository

    Sandberg, Mattias

    2016-01-06

    In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.

  6. 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.

  7. Dynamical phase transitions in quantum mechanics

    International Nuclear Information System (INIS)

    Rotter, Ingrid

    2012-01-01

    1936 Niels Bohr: In the atom and in the nucleus we have indeed to do with two extreme cases of mechanical many-body problems for which a procedure of approximation resting on a combination of one-body problems, so effective in the former case, loses any validity in the latter where we, from the very beginning, have to do with essential collective aspects of the interplay between the constituent particles. 1963: Maria Goeppert-Mayer and J. Hans D. Jensen received the Nobel Prize in Physics for their discoveries concerning nuclear shell structure. State of the art 2011: - The nucleus is an open quantum system described by a non-Hermitian Hamilton operator with complex eigenvalues. The eigenvalues may cross in the complex plane ('exceptional points'), the phases of the eigenfunctions are not rigid in approaching the crossing points and the widths bifurcate. By this, a dynamical phase transition occurs in the many-level system. The dynamical phase transition starts at a critical value of the level density. Hence the properties of he low-lying nuclear states (described well by the shell model) and those of highly excited nuclear states (described by random ensembles) differ fundamentally from one another. The statement of Niels Bohr for compound nucleus states at high level density is not in contradiction to the shell-model description of nuclear (and atomic) states at low level density. Dynamical phase transitions are observed experimentally in different systems, including PT-symmetric ones, by varying one or more parameters

  8. Quantum chromodynamics and the dynamics of hadrons

    International Nuclear Information System (INIS)

    Brodsky, S.J.

    1979-03-01

    The application of perturbative quantum chromodynamics to the dynamics of hadrons at short distance is reviewed, with particular emphasis on the role of the hadronic bound state. A number of new applications are discussed, including the modification to QCD scaling violations in structure functions due to hadronic binding; a discussion of coherence and binding corrections to the gluon and sea-quark distributions; QCD radiative corrections to dimensional counting rules for exclusive processes and hadronic form factors at large momentum transfer; generalized counting rules for inclusive processes; the special role of photon-induced reactions in QCD, especially applications to jet production in photon-photon collisions, and photon production at large transverse momentum. Also presented is a short review of the central problems in large P/sub T/ hadronic reactions and the distinguishing characteristics of gluon and quark jets. 163 references

  9. Molecular Studies of Complex Soil Organic Matter Interactions with Metal Ions and Mineral Surfaces using Classical Molecular Dynamics and Quantum Chemistry Methods

    Science.gov (United States)

    Andersen, A.; Govind, N.; Laskin, A.

    2017-12-01

    Mineral surfaces have been implicated as potential protectors of soil organic matter (SOM) against decomposition and ultimate mineralization to small molecules which can provide nutrients for plants and soil microbes and can also contribute to the Earth's elemental cycles. SOM is a complex mixture of organic molecules of biological origin at varying degrees of decomposition and can, itself, self-assemble in such a way as to expose some biomolecule types to biotic and abiotic attack while protecting other biomolecule types. The organization of SOM and SOM with mineral surfaces and solvated metal ions is driven by an interplay of van der Waals and electrostatic interactions leading to partitioning of hydrophilic (e.g. sugars) and hydrophobic (e.g., lipids) SOM components that can be bridged with amphiphilic molecules (e.g., proteins). Classical molecular dynamics simulations can shed light on assemblies of organic molecules alone or complexation with mineral surfaces. The role of chemical reactions is also an important consideration in potential chemical changes of the organic species such as oxidation/reduction, degradation, chemisorption to mineral surfaces, and complexation with solvated metal ions to form organometallic systems. For the study of chemical reactivity, quantum chemistry methods can be employed and combined with structural insight provided by classical MD simulations. Moreover, quantum chemistry can also simulate spectroscopic signatures based on chemical structure and is a valuable tool in interpreting spectra from, notably, x-ray absorption spectroscopy (XAS). In this presentation, we will discuss our classical MD and quantum chemistry findings on a model SOM system interacting with mineral surfaces and solvated metal ions.

  10. Spin relaxation dynamics of holes in intrinsic GaAs quantum wells studied by transient circular dichromatic absorption spectroscopy at room temperature.

    Science.gov (United States)

    Fang, Shaoyin; Zhu, Ruidan; Lai, Tianshu

    2017-03-21

    Spin relaxation dynamics of holes in intrinsic GaAs quantum wells is studied using time-resolved circular dichromatic absorption spectroscopy at room temperature. It is found that ultrafast dynamics is dominated by the cooperative contributions of band filling and many-body effects. The relative contribution of the two effects is opposite in strength for electrons and holes. As a result, transient circular dichromatic differential transmission (TCD-DT) with co- and cross-circularly polarized pump and probe presents different strength at several picosecond delay time. Ultrafast spin relaxation dynamics of excited holes is sensitively reflected in TCD-DT with cross-circularly polarized pump and probe. A model, including coherent artifact, thermalization of nonthermal carriers and the cooperative contribution of band filling and many-body effects, is developed, and used to fit TCD-DT with cross-circularly polarized pump and probe. Spin relaxation time of holes is achieved as a function of excited hole density for the first time at room temperature, and increases with hole density, which disagrees with a theoretical prediction based on EY spin relaxation mechanism, implying that EY mechanism may be not dominant hole spin relaxation mechanism at room temperature, but DP mechanism is dominant possibly.

  11. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    International Nuclear Information System (INIS)

    Vikas

    2011-01-01

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field (B) of strength up to 10 11 G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schroedinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >10 9 G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >10 9 G, the conventional TD-DFT based approach differs 'dynamically' from the CDFT based approach under similar computational constraints. (author)

  12. Puzzles in studies of quantum chaos

    International Nuclear Information System (INIS)

    Xu Gongou

    1994-01-01

    Puzzles in studies of quantum chaos are discussed. From the view of global properties of quantum states, it is clarified that quantum chaos originates from the break-down of invariant properties of quantum canonical transformations. There exist precise correspondences between quantum and classical chaos

  13. 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.

  14. 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)

  15. Towards a Quantum Dynamical Study of the H_2O+H_2O Inelastic Collision: Representation of the Potential and Preliminary Results

    Science.gov (United States)

    Ndengue, Steve Alexandre; Dawes, Richard

    2017-06-01

    Water, an essential ingredient of life, is prevalent in space and various media. H_2O in the gas phase is the major polyatomic species in the interstellar medium (ISM) and a primary target of current studies of collisional dynamics. In recent years a number of theoretical and experimental studies have been devoted to H_2O-X (with X=He, H_2, D_2, Ar, ?) elastic and inelastic collisions in an effort to understand rotational distributions of H_2O in molecular clouds. Although those studies treated several abundant species, no quantum mechanical calculation has been reported to date for a nonlinear polyatomic collider. We present in this talk the preliminary steps toward this goal, using the H_2O molecule itself as our collider, the very accurate MB-Pol surface to describe the intermolecular interaction and the MultiConfiguration Time Dependent (MCTDH) algorithm to study the dynamics. One main challenge in this effort is the need to express the Potential Energy Surface (PES) in a sum-of-products form optimal for MCTDH calculations. We will describe how this was done and present preliminary results of state-to-state probabilities.

  16. Loop quantum cosmology of Bianchi IX: effective dynamics

    International Nuclear Information System (INIS)

    Corichi, Alejandro; Montoya, Edison

    2017-01-01

    We study solutions to the effective equations for the Bianchi IX class of spacetimes within loop quantum cosmology (LQC). We consider Bianchi IX models whose matter content is a massless scalar field, by numerically solving the loop quantum cosmology effective equations, with and without inverse triad corrections. The solutions are classified using certain geometrically motivated classical observables. We show that both effective theories—with lapse N   =   V and N   =  1—resolve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the positive spatial curvature, there is an infinite number of bounces and recollapses. We study the limit of large field momentum and show that both effective theories reproduce the same dynamics, thus recovering general relativity. We implement a procedure to identify amongst the Bianchi IX solutions, those that behave like k   =  0,1 FLRW as well as Bianchi I, II, and VII 0 models. The effective solutions exhibit Bianchi I phases with Bianchi II transitions and also Bianchi VII 0 phases, which had not been studied before. We comment on the possible implications of these results for a quantum modification to the classical BKL behaviour. (paper)

  17. Loop quantum cosmology of Bianchi IX: effective dynamics

    Science.gov (United States)

    Corichi, Alejandro; Montoya, Edison

    2017-03-01

    We study solutions to the effective equations for the Bianchi IX class of spacetimes within loop quantum cosmology (LQC). We consider Bianchi IX models whose matter content is a massless scalar field, by numerically solving the loop quantum cosmology effective equations, with and without inverse triad corrections. The solutions are classified using certain geometrically motivated classical observables. We show that both effective theories—with lapse N  =  V and N  =  1—resolve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the positive spatial curvature, there is an infinite number of bounces and recollapses. We study the limit of large field momentum and show that both effective theories reproduce the same dynamics, thus recovering general relativity. We implement a procedure to identify amongst the Bianchi IX solutions, those that behave like k  =  0,1 FLRW as well as Bianchi I, II, and VII0 models. The effective solutions exhibit Bianchi I phases with Bianchi II transitions and also Bianchi VII0 phases, which had not been studied before. We comment on the possible implications of these results for a quantum modification to the classical BKL behaviour.

  18. 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.

  19. 5D quantum dynamics of the H{sub 2}@SWNT system: Quantitative study of the rotational-translational coupling

    Energy Technology Data Exchange (ETDEWEB)

    Mondelo-Martell, M.; Huarte-Larrañaga, F., E-mail: fermin.huarte@ub.edu [Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB),Universitat de Barcelona, C/ Martí i Franqués 1, 08028 Barcelona (Spain)

    2015-02-28

    The dynamics of the dihydrogen molecule when confined in carbon nanotubes with different chiralities and diameters are studied by using a 5 dimensional model considering the most relevant degrees of freedom of the system. The nuclear eigenstates are calculated for an (8,0) and a (5,0) carbon nanotubes by the State-Average Multiconfigurational Time-dependent Hartree, and then studied using qualitative tools (mapping of the total wave functions onto given subspaces) and more rigorous analysis (different kinds of overlaps with reference functions). The qualitative analysis is seen to fail due to a strong coupling between the internal and translational degrees of freedom. Using more accurate tools allows us to gain a deeper insight into the behaviour of confined species.

  20. Optical Nonlinearities and Ultrafast Carrier Dynamics in Semiconductor Quantum Dots

    Energy Technology Data Exchange (ETDEWEB)

    Klimov, V.; McBranch, D.; Schwarz, C.

    1998-08-10

    Low-dimensional semiconductors have attracted great interest due to the potential for tailoring their linear and nonlinear optical properties over a wide-range. Semiconductor nanocrystals (NC's) represent a class of quasi-zero-dimensional objects or quantum dots. Due to quantum cordhement and a large surface-to-volume ratio, the linear and nonlinear optical properties, and the carrier dynamics in NC's are significantly different horn those in bulk materials. napping at surface states can lead to a fast depopulation of quantized states, accompanied by charge separation and generation of local fields which significantly modifies the nonlinear optical response in NC's. 3D carrier confinement also has a drastic effect on the energy relaxation dynamics. In strongly confined NC's, the energy-level spacing can greatly exceed typical phonon energies. This has been expected to significantly inhibit phonon-related mechanisms for energy losses, an effect referred to as a phonon bottleneck. It has been suggested recently that the phonon bottleneck in 3D-confined systems can be removed due to enhanced role of Auger-type interactions. In this paper we report femtosecond (fs) studies of ultrafast optical nonlinearities, and energy relaxation and trap ping dynamics in three types of quantum-dot systems: semiconductor NC/glass composites made by high temperature precipitation, ion-implanted NC's, and colloidal NC'S. Comparison of ultrafast data for different samples allows us to separate effects being intrinsic to quantum dots from those related to lattice imperfections and interface properties.

  1. 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

  2. Theoretical studies on nuclear spin selective quantum dynamics of non-linear molecules; Theoretische Untersuchung zur Quantendynamik der Kernspinisomere nicht-linearer Molekuele

    Energy Technology Data Exchange (ETDEWEB)

    Grohmann, Thomas

    2012-05-31

    In this thesis the wave packet dynamics of nuclear spin isomers of polyatomic molecules after interaction with static and time-dependent magnetic fields and moderate intense nonresonant laser pulses is investigated. In particular, the process of inducing (internal) molecular rotation as well as alignment of molecules by manipulating their rotational or rotational-torsional degrees of freedom is studied. In the first part of the thesis all theoretical concepts for identifying nuclear spin isomers and for describing their quantum dynamics will be discussed. Especially the symmetrization postulate and themolecular symmetry group will be introduced and illustrated for some examples of molecules. These concepts will be extended to the case of identifying nuclear spin isomers in the presence of an external field. In the second part it is shown for nitromethane that magnetic fields are able to induce unidirectional rotations in opposite directions for different nuclear spin isomers of molecules containing methyl groups if the dipolar interaction is included. Additionally, it is demonstrated that different nuclear spin isomers of a chemical compound may show different alignment after the interaction with a moderate intense laser pulse. As shown for the rigid symmetric top propadien and the rigid asymmetric tops ethene and analogues, distinct pairs of nuclear spin isomers show at certain points in time a complementary behavior: while one isomer is showing alignment the partner isomer is showing anti-alignment. Moreover, it is illustrated that not every nuclear spin isomer can be aligned equally efficient. The alignment of non-rigid molecules is considered as well. As an example for a molecule with feasible torsion in the electronic ground state, the alignment of diboron tetrafluoride is investigated. It becomes apparent that not only rotational but also the torsional dynamics of the molecules is nuclear spin selective; different nuclear spin isomers have at distinct points

  3. 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.

  4. Quantum mechanical aspects of dynamical neutron polarization

    International Nuclear Information System (INIS)

    Betz, T.; Badurek, G.; Jericha, E.

    2007-01-01

    Dynamic Neutron Polarization (DNP) is a concept which allows to achieve complete polarization of slow neutrons, virtually without any loss of intensity. There the neutrons pass through a combination of a static and a rotating magnetic field in resonance, like in a standard NMR apparatus. Depending on their initial spin state, they end up with different kinetic energies and therefore different velocity. In a succeeding magnetic precession field this distinction causes a different total precession angle. Tuning the field strength can lead to a final state where two original anti-parallel spin states are aligned parallel and hence to polarization. The goal of this work is to describe the quantum mechanical aspects of DNP and to work out the differences to the semi-classical treatment. We show by quantum mechanical means, that the concept works and DNP is feasible, indeed. Therefore, we have to take a closer look to the behavior of neutron wave functions in magnetic fields. In the first Section we consider a monochromatic continuous beam. The more realistic case of a pulsed, polychromatic beam requires a time-dependent field configuration and will be treated in the second Section. In particular the spatial separation of the spin up- and down-states is considered, because it causes an effect of polarization damping so that one cannot achieve a fully polarized final state. This effect is not predicted by the semi-classical treatment of DNP. However, this reduction of polarization is very small and can be neglected in realistic DNP-setups

  5. Non recurrent behaviour in quantum dynamics

    International Nuclear Information System (INIS)

    Casati, G.; Guarneri, I.

    1984-01-01

    We study the motion of a quantum rotator under an external periodic perturbation. For the resonant case, i.e. when the frequency of driving pulses is rationally connected with the frequencies of the free rotator, the quasi-energy spectrum is known to be continuous. We prove that for a generic choice of the potential there is a non-empty set of non-resonant values of the external frequency such that the quasi-energy spectrum still has a continuous component. (orig.)

  6. 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)

  7. 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)

  8. Intrinsic Dynamics of Quantum-Dash Lasers

    KAUST Repository

    Chen, Cheng; Djie, Hery Susanto; Hwang, James C. M.; Koch, Thomas L.; Lester, Luke F.; Ooi, Boon S.; Wang, Yang

    2011-01-01

    Temperature-dependent intrinsic modulation response of InAs/InAlGaAs quantum-dash lasers was investigated by using pulse optical injection modulation to minimize the effects of parasitics and self-heating. Compared to typical quantum-well lasers, the quantum-dash lasers were found to have comparable differential gain but approximately twice the gain compression factor, probably due to carrier heating by free-carrier absorption, as opposed to stimulated transition. Therefore, the narrower modulation bandwidth of the quantum-dash lasers than that of quantum-well lasers was attributed to their higher gain compression factor. In addition, as expected, quantum-dash lasers with relatively long and uniform dashes exhibit higher temperature stability than quantum-well lasers. However, the lasers with relatively short and nonuniform dashes exhibit stronger temperature dependence, probably due to their higher surface-to-volume ratio and nonuniform dash sizes. © 2011 IEEE.

  9. Intrinsic Dynamics of Quantum-Dash Lasers

    KAUST Repository

    Chen, Cheng

    2011-10-01

    Temperature-dependent intrinsic modulation response of InAs/InAlGaAs quantum-dash lasers was investigated by using pulse optical injection modulation to minimize the effects of parasitics and self-heating. Compared to typical quantum-well lasers, the quantum-dash lasers were found to have comparable differential gain but approximately twice the gain compression factor, probably due to carrier heating by free-carrier absorption, as opposed to stimulated transition. Therefore, the narrower modulation bandwidth of the quantum-dash lasers than that of quantum-well lasers was attributed to their higher gain compression factor. In addition, as expected, quantum-dash lasers with relatively long and uniform dashes exhibit higher temperature stability than quantum-well lasers. However, the lasers with relatively short and nonuniform dashes exhibit stronger temperature dependence, probably due to their higher surface-to-volume ratio and nonuniform dash sizes. © 2011 IEEE.

  10. Dynamics of spins in semiconductor quantum wells under drift

    International Nuclear Information System (INIS)

    Idrish Miah, M.

    2009-01-01

    The dynamics of spins in semiconductor quantum wells under applied electric bias has been investigated by photoluminescence (PL) spectroscopy. The bias-dependent polarization of PL (P PL ) was measured at different temperatures. The P PL was found to decay with an enhancement of increasing the strength of the negative bias, with an exception occurred for a low value of the negative bias. The P PL was also found to depend on the temperature. The P PL in the presence of a transverse magnetic field was also studied. The results showed that P PL in the magnetic field oscillates under an applied bias, demonstrating that the dephasing of electron spin occurs during the drift transport in semiconductor quantum wells.

  11. Dynamics of spins in semiconductor quantum wells under drift

    Energy Technology Data Exchange (ETDEWEB)

    Idrish Miah, M., E-mail: m.miah@griffith.edu.a [Nanoscale Science and Technology Centre, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); School of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane, QLD 4111 (Australia); Department of Physics, University of Chittagong, Chittagong 4331 (Bangladesh)

    2009-09-15

    The dynamics of spins in semiconductor quantum wells under applied electric bias has been investigated by photoluminescence (PL) spectroscopy. The bias-dependent polarization of PL (P{sub PL}) was measured at different temperatures. The P{sub PL} was found to decay with an enhancement of increasing the strength of the negative bias, with an exception occurred for a low value of the negative bias. The P{sub PL} was also found to depend on the temperature. The P{sub PL} in the presence of a transverse magnetic field was also studied. The results showed that P{sub PL} in the magnetic field oscillates under an applied bias, demonstrating that the dephasing of electron spin occurs during the drift transport in semiconductor quantum wells.

  12. Non-equilibrium dynamics near a quantum multicritical point

    International Nuclear Information System (INIS)

    Patra, Ayoti; Mukherjee, Victor; Dutta, Amit

    2011-01-01

    We study the non-equilibrium dynamics of a quantum system close to a quantum multi-critical point (MCP) using the example of a one-dimensional spin-1/2 transverse XY spin chain. We summarize earlier results of defect generenation and fidelity susceptibility for quenching through MCP and close to the MCP, respectively. For a quenching scheme which enables the system to hit the MCP along different paths, we emphasize the role of path on exponents associated with quasicritical points which appear in the scaling relations. Finally, we explicitly derive the scaling of concurrence and negativity for two spin entanglement generated following a slow quenching across the MCP and enlist the results for different quenching schemes. We explicity show the dependence of the scaling on the quenching path and dicuss the limiting situations.

  13. 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'.

  14. Comparison of reactivity on step and terrace sites of Pd (3 3 2) surface for the dissociative adsorption of hydrogen: A quantum chemical molecular dynamics study

    International Nuclear Information System (INIS)

    Ahmed, Farouq; Nagumo, Ryo; Miura, Ryuji; Ai, Suzuki; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Miyamoto, Akira

    2011-01-01

    The notion of 'active sites' is fundamental to heterogeneous catalysis. However, the exact nature of the active sites, and hence the mechanism by which they act, are still largely a matter of speculation. In this study, we have presented a systematic quantum chemical molecular dynamics (QCMD) calculations for the interaction of hydrogen on different step and terrace sites of the Pd (3 3 2) surface. Finally the dissociative adsorption of hydrogen on step and terrace as well as the influence of surface hydrogen vacancy for the dissociative adsorption of hydrogen has been investigated through QCMD. This is a state-of-the-art method for calculating the interaction of atoms and molecules with metal surfaces. It is found that fully hydrogen covered (saturated) step sites can dissociate hydrogen moderately and that a monovacancy surface is suitable for significant dissociative adsorption of hydrogen. However in terrace site of the surface we have found that dissociation of hydrogen takes place only on Pd sites where the metal atom is not bound to any pre-adsorbed hydrogen atoms. Furthermore, from the molecular dynamics and electronic structure calculations, we identify a number of consequences for the interpretation and modeling of diffusion experiments demonstrating the coverage and directional dependence of atomic hydrogen diffusion on stepped palladium surface.

  15. 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.

  16. 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)

  17. 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.

  18. 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....

  19. Effective dynamics of the closed loop quantum cosmology

    International Nuclear Information System (INIS)

    Mielczarek, Jakub; Szydłowski, Marek; Hrycyna, Orest

    2009-01-01

    In this paper we study dynamics of the closed FRW model with holonomy corrections coming from loop quantum cosmology. We consider models with a scalar field and cosmological constant. In case of the models with cosmological constant and free scalar field, dynamics reduce to 2D system and analysis of solutions simplify. If only free scalar field is included then universe undergoes non-singular oscillations. For the model with cosmological constant, different behaviours are obtained depending on the value of Λ. If the value of Λ is sufficiently small, bouncing solutions with asymptotic de Sitter stages are obtained. However if the value of Λ exceeds critical value Λ c = 3 1/2 m Pl 2 /2πγ 3 ≅ 21m Pl 2 then solutions become oscillatory. Subsequently we study models with a massive scalar field. We find that this model possess generic inflationary attractors. In particular field, initially situated in the bottom of the potential, is driven up during the phase of quantum bounce. This subsequently leads to the phase of inflation. Finally we find that, comparing with the flat case, effects of curvature do not change qualitatively dynamics close to the phase of bounce. Possible effects of inverse volume corrections are also briefly discussed

  20. 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

  1. Comparison of phase space dynamics of Kopenhagen and causal interpretations of quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Tempel, Christoph; Schleich, Wolfgang P. [Institut fuer Quantenphysik, Universitaet Ulm, D-89069 Ulm (Germany)

    2013-07-01

    Recent publications pursue the attempt to reconstruct Bohm trajectories experimentally utilizing the technique of weak measurements. We study the phase space dynamics of a specific double slit setup in terms of the Bohm de-Broglie formulation of quantum mechanics. We want to compare the results of those Bohmian phase space dynamics to the usual quantum mechanical phase space formulation with the Wigner function as a quasi probability density.

  2. Full quantum treatment of charge dynamics in amorphous molecular semiconductors

    Science.gov (United States)

    de Vries, Xander; Friederich, Pascal; Wenzel, Wolfgang; Coehoorn, Reinder; Bobbert, Peter A.

    2018-02-01

    We present a treatment of charge dynamics in amorphous molecular semiconductors that accounts for the coupling of charges to all intramolecular phonon modes in a fully quantum mechanical way. Based on ab initio calculations, we derive charge transfer rates that improve on the widely used semiclassical Marcus rate and obtain benchmark results for the mobility and energetic relaxation of electrons and holes in three semiconductors commonly applied in organic light-emitting diodes. Surprisingly, we find very similar results when using the simple Miller-Abrahams rate. We conclude that extracting the disorder strength from temperature-dependent charge transport studies is very possible but extracting the reorganization energy is not.

  3. Nonequilibrium dynamic critical scaling of the quantum Ising chain.

    Science.gov (United States)

    Kolodrubetz, Michael; Clark, Bryan K; Huse, David A

    2012-07-06

    We solve for the time-dependent finite-size scaling functions of the one-dimensional transverse-field Ising chain during a linear-in-time ramp of the field through the quantum critical point. We then simulate Mott-insulating bosons in a tilted potential, an experimentally studied system in the same equilibrium universality class, and demonstrate that universality holds for the dynamics as well. We find qualitatively athermal features of the scaling functions, such as negative spin correlations, and we show that they should be robustly observable within present cold atom experiments.

  4. Noninertial effects on the quantum dynamics of scalar bosons

    International Nuclear Information System (INIS)

    Castro, Luis B.

    2016-01-01

    The noninertial effect of rotating frames on the quantum dynamics of scalar bosons embedded in the background of a cosmic string is considered. In this work, scalar bosons are described by the Duffin-Kemmer-Petiau (DKP) formalism. Considering the DKP oscillator in this background the combined effects of a rotating frames and cosmic string on the equation of motion, energy spectrum, and DKP spinor are analyzed and discussed in detail. Additionally, the effect of rotating frames on the scalar bosons' localization is studied. (orig.)

  5. 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.

  6. 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

  7. Quantum centipedes: collective dynamics of interacting quantum walkers

    International Nuclear Information System (INIS)

    Krapivsky, P L; Luck, J M; Mallick, K

    2016-01-01

    We consider the quantum centipede made of N fermionic quantum walkers on the one-dimensional lattice interacting by means of the simplest of all hard-bound constraints: the distance between two consecutive fermions is either one or two lattice spacings. This composite quantum walker spreads ballistically, just as the simple quantum walk. However, because of the interactions between the internal degrees of freedom, the distribution of its center-of-mass velocity displays numerous ballistic fronts in the long-time limit, corresponding to singularities in the empirical velocity distribution. The spectrum of the centipede and the corresponding group velocities are analyzed by direct means for the first few values of N . Some analytical results are obtained for arbitrary N by exploiting an exact mapping of the problem onto a free-fermion system. We thus derive the maximal velocity describing the ballistic spreading of the two extremal fronts of the centipede wavefunction, including its non-trivial value in the large- N limit. (paper)

  8. Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta

    Science.gov (United States)

    In the crystal structure of cellulose Ibeta, disordered hydrogen (H) bonding can be represented by the average of two mutually exclusive H bonding schemes that have been designated A and B. An unanswered question is whether A and B interconvert dynamically, or whether they are static but present in ...

  9. 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.

  10. Direct Observation of Dynamical Quantum Phase Transitions in an Interacting Many-Body System.

    Science.gov (United States)

    Jurcevic, P; Shen, H; Hauke, P; Maier, C; Brydges, T; Hempel, C; Lanyon, B P; Heyl, M; Blatt, R; Roos, C F

    2017-08-25

    The theory of phase transitions represents a central concept for the characterization of equilibrium matter. In this work we study experimentally an extension of this theory to the nonequilibrium dynamical regime termed dynamical quantum phase transitions (DQPTs). We investigate and measure DQPTs in a string of ions simulating interacting transverse-field Ising models. During the nonequilibrium dynamics induced by a quantum quench we show for strings of up to 10 ions the direct detection of DQPTs by revealing nonanalytic behavior in time. Moreover, we provide a link between DQPTs and the dynamics of other quantities such as the magnetization, and we establish a connection between DQPTs and entanglement production.

  11. Direct Observation of Dynamical Quantum Phase Transitions in an Interacting Many-Body System

    Science.gov (United States)

    Jurcevic, P.; Shen, H.; Hauke, P.; Maier, C.; Brydges, T.; Hempel, C.; Lanyon, B. P.; Heyl, M.; Blatt, R.; Roos, C. F.

    2017-08-01

    The theory of phase transitions represents a central concept for the characterization of equilibrium matter. In this work we study experimentally an extension of this theory to the nonequilibrium dynamical regime termed dynamical quantum phase transitions (DQPTs). We investigate and measure DQPTs in a string of ions simulating interacting transverse-field Ising models. During the nonequilibrium dynamics induced by a quantum quench we show for strings of up to 10 ions the direct detection of DQPTs by revealing nonanalytic behavior in time. Moreover, we provide a link between DQPTs and the dynamics of other quantities such as the magnetization, and we establish a connection between DQPTs and entanglement production.

  12. 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.

  13. 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.

  14. 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.)

  15. Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study

    International Nuclear Information System (INIS)

    Chakraborty, Debdutta; Chattaraj, Pratim Kumar

    2014-01-01

    Highlights: • Quantum–classical correspondence is manifested at strong external coupling regime. • Suppression of classical chaos takes place in quantum domain. • Quantum chaos promotes quantum diffusion. • Quantum localisation is realised when interference effects are dominant. - Abstract: A quantum mechanical analogue of the classically chaotic triple-well oscillator under the influence of an external field and parametric excitation has been studied by using the quantum theory of motion. The on the fly calculations show the correspondence between some dynamical aspects of the classical and quantum oscillators along with a strictly quantum mechanical behaviour in case of diffusion and tunneling. Suitable external conditions have been obtained which can either assist or suppress the movement of quantum particles from one well to another. Quantum interference effects play a critical role in determining the nature of the quantum dynamics and in the presence of strong coupling to the external forces, quantum interference effects reduce drastically leading to decoherence of the quantum wave packet. In such situations, quantum dynamical features qualitatively resemble the corresponding classical dynamical behaviour and a correspondence between classical and quantum dynamics is obtained

  16. 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

    tomography, which is a necessary 'primitive' for inferring the target quantum state and thereby diagnosing the control performance. Next, the impact of realistic control and system imperfections in continuous-time Markovian feedback strategies for rapid state preparation is analyzed by Combes and Wiseman. A prominent role is played in the special issue by optimal control (OC) approaches, reflecting their central importance for quantum control and QIP. The OC contributions have been divided into two separate sections, depending on whether the target dynamics is modeled as Hamiltonian (section 3) or dissipative (section 4), respectively. The contribution by Beltrani et al deals with `control landscapes', which provide a foundation for analyzing the performance of numerical OC algorithms and their robustness against control errors. Specifically, this paper characterizes geometric properties of the control landscape, relevant to the optimal control of state-to-state transitions. Application of OC theory to the problem of population transfer and coherence enhancement in Λ-systems is studied by Kumar et al, whereas Goerz et al report on the OC-design of a high-fidelity controlled phase-gate in atomic qubits. The robustness of an OC solution is specifically addressed by Negretti et al, along with an approach for identifying easily implementable while still 'close-to-optimal' control pulses. Powerful relaxation-optimized OC schemes (based on so-called opengrape algorithms) for generating unitary target gates in the presence of known dissipation parameters are discussed by Schulte-Herbrüggen et al. Next, Lapert et al report on the problem of time-optimal control of spin-1/2 systems undergoing Bloch relaxation dynamics, highlighting the crucial role played by singular extremals in the control synthesis. Alternative approaches for optimized control of qubits exposed to various decoherence processes are developed by Esher et al and Xue et al, based on a perturbative 'bath

  17. [Studies in quantum field theory

    International Nuclear Information System (INIS)

    1990-01-01

    During the period 4/1/89--3/31/90 the theoretical physics group supported by Department of Energy Contract No. AC02-78ER04915.A015 and consisting of Professors Bender and Shrauner, Associate Professor Papanicolaou, Assistant Professor Ogilvie, and Senior Research Associate Visser has made progress in many areas of theoretical and mathematical physics. Professors Bender and Shrauner, Associate Professor Papanicolaou, Assistant Professor Ogilvie, and Research Associate Visser are currently conducting research in many areas of high energy theoretical and mathematical physics. These areas include: strong-coupling approximation; classical solutions of non-Abelian gauge theories; mean-field approximation in quantum field theory; path integral and coherent state representations in quantum field theory; lattice gauge calculations; the nature of perturbation theory in large order; quark condensation in QCD; chiral symmetry breaking; the 1/N expansion in quantum field theory; effective potential and action in quantum field theories, including OCD; studies of the early universe and inflation, and quantum gravity

  18. Exciton-polariton dynamics in quantum dot-cavity system

    Energy Technology Data Exchange (ETDEWEB)

    Neto, Antonio F.; Lima, William J.; Villas-Boas, Jose M. [Universidade Federal de Uberlandia (UFU), MG (Brazil). Inst. de Fisica

    2012-07-01

    Full text: One of the basic requirement for quantum information processing systems is the ability to completely control the state of a single qubit. This imply in know all sources of decoherence and elaborate ways to avoid them. In recent work, A. Laucht et al. [1] presented detailed theoretical and experimental investigations of electrically tunable single quantum dot (QD) - photonic crystal (PhC) nanocavity systems operating in the strong coupling regime of the light matter interaction. Unlike previous studies, where the exciton-cavity spectral detuning was varied by changing the lattice temperature, or by the adsorption of inert gases at low temperatures, they employ the quantum confined Stark-effect to electro-optically control the exciton-cavity detuning. The new built device enabled them to systematically probe the emission spectrum of the strongly coupled system as a function of external control parameters, as for example the incoherent excitation power density or the lattice temperature. Those studies reveal for the first time insights in dephasing mechanisms of 0D exciton polaritons [1]. In another study [2], using a similar device, they investigate the coupling between two different QDs with a single cavity mode. In both works, incoherent pumping was used, but for quantum information, coherent and controlled excitations are necessary. Here, we theoretically investigate the dynamics a single quantum dot inside a cavity under coherent pulse excitation and explore a wide range of parameters, as for example, the exciton-cavity detunings, the excitation power, the spontaneous decay, and pure dephasing. We use density matrix formalism in the Lindblad form, and we solve it numerically. Our results show that coherent excitation can be used to probe strong coupling between exciton and cavity mode by monitoring the exciton Rabi oscillation as function of the cavity detuning. This can give new insights for future experimental measurement focusing on quantum

  19. 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.

  20. 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.

  1. Wave-packet dynamics in quantum wells

    DEFF Research Database (Denmark)

    Kuznetsov, A. V.; Sanders, G. D.; Stanton, C. J.

    1995-01-01

    It has been recently recognized that in bulk semiconductors the displacement current caused by ultrafast optical generation of ''polarized pairs'' in the applied de field is an important mechanism of charge transport in addition to the usual transport current. In quantum-well systems, this polari......It has been recently recognized that in bulk semiconductors the displacement current caused by ultrafast optical generation of ''polarized pairs'' in the applied de field is an important mechanism of charge transport in addition to the usual transport current. In quantum-well systems...... that the carriers in a quantum well can behave as an ensemble of classical particles and produce a transport like photocurrent....

  2. 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

  3. Quantum Critical Point revisited by the Dynamical Mean Field Theory

    Science.gov (United States)

    Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei

    Dynamical mean field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low energy kink and the high energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high energy antiferromagnetic paramagnons. We use the frequency dependent four-point correlation function of spin operators to calculate the momentum dependent correction to the electron self energy. Our results reveal a substantial difference with the calculations based on the Spin-Fermion model which indicates that the frequency dependence of the the quasiparitcle-paramagnon vertices is an important factor. The authors are supported by Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant DE-FOA-0001276.

  4. Quantum critical point revisited by dynamical mean-field theory

    Science.gov (United States)

    Xu, Wenhu; Kotliar, Gabriel; Tsvelik, Alexei M.

    2017-03-01

    Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. The QCP is characterized by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. We use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. By comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

  5. Quantum critical point revisited by dynamical mean-field theory

    International Nuclear Information System (INIS)

    Xu, Wenhu; Kotliar, Gabriel; Rutgers University, Piscataway, NJ; Tsvelik, Alexei M.

    2017-01-01

    Dynamical mean-field theory is used to study the quantum critical point (QCP) in the doped Hubbard model on a square lattice. We characterize the QCP by a universal scaling form of the self-energy and a spin density wave instability at an incommensurate wave vector. The scaling form unifies the low-energy kink and the high-energy waterfall feature in the spectral function, while the spin dynamics includes both the critical incommensurate and high-energy antiferromagnetic paramagnons. Here, we use the frequency-dependent four-point correlation function of spin operators to calculate the momentum-dependent correction to the electron self-energy. Furthermore, by comparing with the calculations based on the spin-fermion model, our results indicate the frequency dependence of the quasiparticle-paramagnon vertices is an important factor to capture the momentum dependence in quasiparticle scattering.

  6. Photoabsorption of Acridine Yellow and Proflavin Bound to Human Serum Albumin Studied by Means of Quantum Mechanics/Molecular Dynamics

    DEFF Research Database (Denmark)

    Aidas, Kestutis; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob

    2013-01-01

    Attempting to unravel mechanisms in optical probing of proteins, we have performed pilot calculations of two cationic chromophores—acridine yellow and proflavin—located at different binding sites within human serum albumin, including the two primary drug binding sites as well as a heme binding site....... The computational scheme adopted involves classical molecular dynamics simulations of the ligands bound to the protein and subsequent linear response polarizable embedding density functional theory calculations of the excitation energies. A polarizable embedding potential consisting of point charges fitted...

  7. Concurrence of Quantum States: Algebraic Dynamical Method Study XXX Models in a Time-Depending Random External Field

    International Nuclear Information System (INIS)

    Fu Chuanji; Zhu Qinsheng; Wu Shaoyi

    2010-01-01

    Based on algebraic dynamics and the concept of the concurrence of the entanglement, we investigate the evolutive properties of the two-qubit entanglement that formed by Heisenberg XXX models under a time-depending external held. For this system, the property of the concurrence that is only dependent on the coupling constant J and total values of the external field is proved. Furthermore, we found that the thermal concurrence of the system under a static random external field is a function of the coupling constant J, temperature T, and the magnitude of external held. (general)

  8. Dynamical entropy, quantum K-systems and clustering

    International Nuclear Information System (INIS)

    Narnhofer, H.

    1989-01-01

    The two possibilities to define a quantum K-system, either using algebraic relations or using properties of the dynamical entropy, are compared. It is shown that under the additional assumption of strong asymptotic abelianess the algebraic relations imply the properties of the dynamical entropy. 14 refs. (Author)

  9. Broken dynamical symmetries in quantum mechanics and phase transition phenomena

    International Nuclear Information System (INIS)

    Guenther, N.J.

    1979-12-01

    This thesis describes applications of dynamical symmetries to problems in quantum mechanics and many-body physics where the latter is formulated as a Euclidean scalar field theory in d-space dimensions. By invoking the concept of a dynamical symmetry group a unified understanding of apparently disparate results is achieved. (author)

  10. 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.

  11. Dynamic localization in quantum dots: Analytical theory

    International Nuclear Information System (INIS)

    Basko, D.M.; Skvortsov, M.A.; Kravtsov, V.E.

    2003-02-01

    We analyze the response of a complex quantum-mechanical system (e.g., a quantum dot) to a time-dependent perturbation φ(t). Assuming the dot to be described by random matrix theory for GOE we find the quantum correction to the energy absorption rate as a function of the dephasing time t φ . If φ(t) is a sum of d harmonics with incommensurate frequencies, the correction behaves similarly to that to the conductivity δσ d (t φ ) in the d-dimensional Anderson model of the orthogonal symmetry class. For a generic periodic perturbation the leading quantum correction is absent as in the systems of the unitary symmetry class, unless φ(-t+τ)=φ(t+τ) for some τ, which falls into the quasi-1d orthogonal universality class. (author)

  12. Molecular quantum dynamics from theory to applications

    CERN Document Server

    Gatti, Fabien

    2014-01-01

    Emphasizing fundamental educational concepts, this book offers an accessible introduction that covers eigenstates, wave packets, quantum mechanical resonances and more. Examples show that high-level experiments and theory must work closely together.

  13. Next Generation Extended Lagrangian Quantum-based Molecular Dynamics

    Science.gov (United States)

    Negre, Christian

    2017-06-01

    A new framework for extended Lagrangian first-principles molecular dynamics simulations is presented, which overcomes shortcomings of regular, direct Born-Oppenheimer molecular dynamics, while maintaining important advantages of the unified extended Lagrangian formulation of density functional theory pioneered by Car and Parrinello three decades ago. The new framework allows, for the first time, energy conserving, linear-scaling Born-Oppenheimer molecular dynamics simulations, which is necessary to study larger and more realistic systems over longer simulation times than previously possible. Expensive, self-consinstent-field optimizations are avoided and normal integration time steps of regular, direct Born-Oppenheimer molecular dynamics can be used. Linear scaling electronic structure theory is presented using a graph-based approach that is ideal for parallel calculations on hybrid computer platforms. For the first time, quantum based Born-Oppenheimer molecular dynamics simulation is becoming a practically feasible approach in simulations of +100,000 atoms-representing a competitive alternative to classical polarizable force field methods. In collaboration with: Anders Niklasson, Los Alamos National Laboratory.

  14. 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...

  15. A Molecular Dynamics-Quantum Mechanics Theoretical Study of DNA-Mediated Charge Transport in Hydrated Ionic Liquids.

    Science.gov (United States)

    Meng, Zhenyu; Kubar, Tomas; Mu, Yuguang; Shao, Fangwei

    2018-05-08

    Charge transport (CT) through biomolecules is of high significance in the research fields of biology, nanotechnology, and molecular devices. Inspired by our previous work that showed the binding of ionic liquid (IL) facilitated charge transport in duplex DNA, in silico simulation is a useful means to understand the microscopic mechanism of the facilitation phenomenon. Here molecular dynamics simulations (MD) of duplex DNA in water and hydrated ionic liquids were employed to explore the helical parameters. Principal component analysis was further applied to capture the subtle conformational changes of helical DNA upon different environmental impacts. Sequentially, CT rates were calculated by a QM/MM simulation of the flickering resonance model based upon MD trajectories. Herein, MD simulation illustrated that the binding of ionic liquids can restrain dynamic conformation and lower the on-site energy of the DNA base. Confined movement among the adjacent base pairs was highly related to the increase of electronic coupling among base pairs, which may lead DNA to a CT facilitated state. Sequentially combining MD and QM/MM analysis, the rational correlations among the binding modes, the conformational changes, and CT rates illustrated the facilitation effects from hydrated IL on DNA CT and supported a conformational-gating mechanism.

  16. Time dependent quantum dynamics study of the O++H2(v=0,j=0)→OH++H ion-molecule reaction and isotopic variants (D2,HD)

    International Nuclear Information System (INIS)

    Martinez, Rodrigo; Sierra, Jose Daniel; Gray, Stephen K.; Gonzalez, Miguel

    2006-01-01

    The time dependent real wave packet method using the helicity decoupling approximation was used to calculate the cross section evolution with collision energy (excitation function) of the O + +H 2 (v=0,j=0)→OH + +H reaction and its isotopic variants with D 2 and HD, using the best available ab initio analytical potential energy surface. The comparison of the calculated excitation functions with exact quantum results and experimental data showed that the present quantum dynamics approach is a very useful tool for the study of the selected and related systems, in a quite wide collision energy interval (approximately 0.0-1.1 eV), involving a much lower computational cost than the quantum exact methods and without a significant loss of accuracy in the cross sections

  17. 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.

  18. Quantum Coherent Dynamics Enhanced by Synchronization with Nonequilibrium Environments

    Science.gov (United States)

    Ishikawa, Akira; Okada, Ryo; Uchiyama, Kazuharu; Hori, Hirokazu; Kobayashi, Kiyoshi

    2018-05-01

    We report the discovery of the anomalous enhancement of quantum coherent dynamics (CD) due to a non-Markovian mechanism originating from not thermal-equilibrium phonon baths but nonequilibrium coherent phonons. CD is an elementary process for quantum phenomena in nanosystems, such as excitation transfer (ET) in semiconductor nanostructures and light-harvesting systems. CD occurs in homogeneous nanosystems because system inhomogeneity typically destroys coherence. In real systems, however, nanosystems behave as open systems surrounded by environments such as phonon systems. Typically, CD in inhomogeneous nanosystems is enhanced by the absorption and emission of thermal-equilibrium phonons, and the enhancement is described by the conventional master equation. On the other hand, CD is also enhanced by synchronization between population dynamics in nanosystems and coherent phonons; namely, coherent phonons, which are self-consistently induced by phase matching with Rabi oscillation, are fed back to enhance CD. This anomalous enhancement of CD essentially originates from the nonequilibrium and dynamical non-Markovian nature of coherent phonon environments, and the enhancement is firstly predicted by applying time-dependent projection operators to nonequilibrium and dynamical environments. Moreover, CD is discussed by considering ET from a donor to an acceptor. It is found that the enhancement of ET by synchronization with coherent phonons depends on the competition between the output time from a system to an acceptor and the formation time of coherent phonons. These findings in this study will stimulate the design and manipulation of CD via structured environments from the viewpoint of application to nano-photoelectronic devices.

  19. 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)

  20. Two-Photon Absorption Properties of Gold Fluorescent Protein: A Combined Molecular Dynamics and Quantum Chemistry Study.

    Science.gov (United States)

    Simsek, Yusuf; Brown, Alex

    2018-05-09

    Molecular dynamic (MD) simulations were carried out to obtain the conformational changes of the chromophore in the gold fluorescent protein (PDB ID: 1OXF). To obtain two-photon absorption (TPA) cross-sections, time dependent density functional theory (TD-DFT) computations were performed for chromophore geometries sampled along the trajectory. The TD-DFT computations used the CAM-B3LYP functional and 6-31+G(d) basis set with the conductor-like polarizable continuum model (PCM) with parameters for water. Results showed that two dihedral angles change remarkably over the simulation time. TPA cross-sections were found to average 20 GM for the excitation to S1 between 430 and 460 nm; however, the maximal and minimal values were 35GM and 5GM, respectively. Besides the effects of the dihedrals on the spectroscopic properties, some bond lengths affected the excitation energies and the TPA cross-sections significantly (up to ±25-30%) while the effects of bond angles were smaller (±5%). Overall the present results provide insight in the effects of conformational exibility on TPA (with gold fluorescent protein as a specific example) and suggest that further experimental measurements of TPA for gold fluorescent protein should be undertaken.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. Quantum dynamics of classical stochastic systems

    Energy Technology Data Exchange (ETDEWEB)

    Casati, G

    1983-01-01

    It is shown that one hand Quantum Mechanics introduces limitations to the manifestations of chaotic motion resulting, for the case of the periodically kicked rotator, in the limitation of energy growth; also, as it is confirmed by numerical experiments, phenomena like the exponential instability of orbits, inherent to strongly chaotic systems, are absent here and therefore Quantum Mechanics appear to be more stable and predictable than Classical Mechanics. On the other hand, we have seen that nonrecurrent behavior may arise in Quantum Systems and it is connected to the presence of singular continuous spectrum. We conjecture that the classical chaotic behavior is reflected, at least partially, in the nature of the spectrum and the singular-continuity of the latter may possess a self-similar structure typical of classical chaos.

  6. Classical dynamics and its quantum analogues

    International Nuclear Information System (INIS)

    Park, D.

    1979-01-01

    In this book the author establishes mathematical connections between classical and quantum mechanics, between ray optics and wave optics. The approach is to consider classical mechanics as a limiting case of quantum mechanics, and ray optics as a limiting case of wave optics. The conceptual background is discussed where necessary, so the reader should be already fairly familiar with it. The main goal of this approach is the revelation that classical and quantum theory are not so different conceptually as one thinks at first exposure. The first chapters recall the basic facts about light waves and light rays and demonstrate the construction of Newtonian orbits from Schroedinger waves. In the following the Lagrangian and Hamiltonian formulation of few-body system is developed showing as often as possible the relations to the corresponding quantum systems. To illustrate the theory planetary motion using perturbation theory is treated in some detail and several calculations in general relativity such as the deflection and retardation of light by the sun and the precession of planetary perikelia are included. The final parts deal with the motions of systems of many particles. The quantum mechanics of rigid bodies is presented in analogy with the classical theory and contrasts are noted. There is also a discussion of the roles of spinors in the two theories. The book is intended as a text in classical mechanics for readers which have already some knowledge in classical and quantum mechanics. It may help to deepen their understanding of the relation between the old and new theory and show something of the ways in which new discoveries are made. (orig.) 891 HJ/orig. 892 BRE

  7. 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...

  8. 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.

  9. 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.

  10. 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)

  11. 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.

  12. Quantum Logic as a Dynamic Logic

    NARCIS (Netherlands)

    Baltag, A.; Smets, S.

    We address the old question whether a logical understanding of Quantum Mechanics requires abandoning some of the principles of classical logic. Against Putnam and others (Among whom we may count or not E. W. Beth, depending on how we interpret some of his statements), our answer is a clear “no”.

  13. Quantum logic as a dynamic logic

    NARCIS (Netherlands)

    Baltag, Alexandru; Smets, Sonja

    We address the old question whether a logical understanding of Quantum Mechanics requires abandoning some of the principles of classical logic. Against Putnam and others (Among whom we may count or not E. W. Beth, depending on how we interpret some of his statements), our answer is a clear "no".

  14. Classical particle dynamics in the quantum space

    International Nuclear Information System (INIS)

    Dineykhan, M.; Namsrai, Kh.

    1985-01-01

    It is suggested that if space-time is quantized at small distances then even at the classical level the particle motion in whole space is complicated and described by a nonlinear equation. In the quantum space the Lagrangian function or energy of the particle consists of two parts: usual kinetic and rotation term determined by the square of the inner angular momentum-torsion torque origin of which is caused by quantum nature of space. Rotation energy and rotation motion of the particle disappear in the limit l→0, l is the value of the fundamental length. In the free particle case, in addition to the rectilinear motion the particle undergoes rotation given by the inner angular momentum. Different possible types of the particle motion are discussed. Thus, the scheme may shed light on the essence of the appearance of rotation or twisting, stochastic and turbulent types of motion in classical physics and, perhaps, on the notion of spin in quantum physics within the framework of quantum character of space-time at small distances

  15. 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...

  16. Decoherence in a dynamical quantum phase transition of the transverse Ising chain

    International Nuclear Information System (INIS)

    Mostame, Sarah; Schaller, Gernot; Schuetzhold, Ralf

    2007-01-01

    For the prototypical example of the Ising chain in a transverse field, we study the impact of decoherence on the sweep through a second-order quantum phase transition. Apart from the advance in the general understanding of the dynamics of quantum phase transitions, these findings are relevant for adiabatic quantum algorithms due to the similarities between them. It turns out that (in contrast to first-order transitions studied previously) the impact of decoherence caused by a weak coupling to a rather general environment increases with system size (i.e., number of spins or qubits), which might limit the scalability of the system

  17. 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.

  18. 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.

  19. Nonlinearity from quantum mechanics: Dynamically unstable Bose-Einstein condensate in a double-well trap

    International Nuclear Information System (INIS)

    Javanainen, Juha

    2010-01-01

    We study theoretically an atomic Bose-Einstein condensate in a double-well trap, both quantum-mechanically and classically, under conditions such that in the classical model an unstable equilibrium dissolves into large-scale oscillations of the atoms between the potential wells. Quantum mechanics alone does not exhibit such nonlinear dynamics, but measurements of the atom numbers in the potential wells may nevertheless cause the condensate to behave essentially classically.

  20. 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.

  1. Global optimization for quantum dynamics of few-fermion systems

    Science.gov (United States)

    Li, Xikun; Pecak, Daniel; Sowiński, Tomasz; Sherson, Jacob; Nielsen, Anne E. B.

    2018-03-01

    Quantum state preparation is vital to quantum computation and quantum information processing tasks. In adiabatic state preparation, the target state is theoretically obtained with nearly perfect fidelity if the control parameter is tuned slowly enough. As this, however, leads to slow dynamics, it is often desirable to be able to carry out processes more rapidly. In this work, we employ two global optimization methods to estimate the quantum speed limit for few-fermion systems confined in a one-dimensional harmonic trap. Such systems can be produced experimentally in a well-controlled manner. We determine the optimized control fields and achieve a reduction in the ramping time of more than a factor of four compared to linear ramping. We also investigate how robust the fidelity is to small variations of the control fields away from the optimized shapes.

  2. Classical and quantum dynamics from classical paths to path integrals

    CERN Document Server

    Dittrich, Walter

    2017-01-01

    Graduate students who wish to become familiar with advanced computational strategies in classical and quantum dynamics will find in this book both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name just a few topics. Well-chosen and detailed examples illustrate perturbation theory, canonical transformations and the action principle, and demonstrate the usage of path integrals. The fifth edition has been revised and enlarged to include chapters on quantum electrodynamics, in particular, Schwinger’s proper time method and the treatment of classical and quantum mechanics with Lie brackets and pseudocanonical transformations. It is shown that operator quantum electrodynamics can be equivalently described with c-numbers, as demonstrated by calculating the propagation function for an electron in a prescribed classical electromagnetic field.

  3. Coupled quantum-classical method for long range charge transfer: relevance of the nuclear motion to the quantum electron dynamics

    International Nuclear Information System (INIS)

    Da Silva, Robson; Hoff, Diego A; Rego, Luis G C

    2015-01-01

    Charge and excitonic-energy transfer phenomena are fundamental for energy conversion in solar cells as well as artificial photosynthesis. Currently, much interest is being paid to light-harvesting and energy transduction processes in supramolecular structures, where nuclear dynamics has a major influence on electronic quantum dynamics. For this reason, the simulation of long range electron transfer in supramolecular structures, under environmental conditions described within an atomistic framework, has been a difficult problem to study. This work describes a coupled quantum mechanics/molecular mechanics method that aims at describing long range charge transfer processes in supramolecular systems, taking into account the atomistic details of large molecular structures, the underlying nuclear motion, and environmental effects. The method is applied to investigate the relevance of electron–nuclei interaction on the mechanisms for photo-induced electron–hole pair separation in dye-sensitized interfaces as well as electronic dynamics in molecular structures. (paper)

  4. Open quantum dynamics via environmental monitoring

    Energy Technology Data Exchange (ETDEWEB)

    Hornberger, Klaus [Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universitaet Muenchen, Theresienstrasse 37, 80333 Munich (Germany)

    2007-05-15

    A general method is discussed to obtain Markovian master equations which describe the interaction with the environment in a microscopic and non-perturbative fashion. It is based on combining time-dependent scattering theory with the concept of continuous quantum measurements. The applications to the case of a Brownian point particle and to the case of a complex molecule, both in the presence of a gaseous environment, are outlined.

  5. Quantum dynamics of the driven and dissipative Rabi model

    Science.gov (United States)

    Henriet, Loïc; Ristivojevic, Zoran; Orth, Peter P.; Le Hur, Karyn

    2014-08-01

    The Rabi model considers a two-level system (or spin 1/2) coupled to a quantized harmonic oscillator and describes the simplest interaction between matter and light. The recent experimental progress in solid-state circuit quantum electrodynamics has engendered theoretical efforts to quantitatively describe the mathematical and physical aspects of the light-matter interaction beyond the rotating-wave approximation. We develop a stochastic Schrödinger equation approach which enables us to access the strong-coupling limit of the Rabi model and study the effects of dissipation and ac drive in an exact manner. We include the effect of Ohmic noise on the non-Markovian spin dynamics, resulting in Kondo-type correlations, as well as cavity losses. We compute the time evolution of spin variables in various conditions. As a consideration for future work, we discuss the possibility of reaching a steady state with one polariton in realistic experimental conditions.

  6. 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

  7. Optimal diabatic dynamics of Majorana-based quantum gates

    Science.gov (United States)

    Rahmani, Armin; Seradjeh, Babak; Franz, Marcel

    2017-08-01

    In topological quantum computing, unitary operations on qubits are performed by adiabatic braiding of non-Abelian quasiparticles, such as Majorana zero modes, and are protected from local environmental perturbations. In the adiabatic regime, with timescales set by the inverse gap of the system, the errors can be made arbitrarily small by performing the process more slowly. To enhance the performance of quantum information processing with Majorana zero modes, we apply the theory of optimal control to the diabatic dynamics of Majorana-based qubits. While we sacrifice complete topological protection, we impose constraints on the optimal protocol to take advantage of the nonlocal nature of topological information and increase the robustness of our gates. By using the Pontryagin's maximum principle, we show that robust equivalent gates to perfect adiabatic braiding can be implemented in finite times through optimal pulses. In our implementation, modifications to the device Hamiltonian are avoided. Focusing on thermally isolated systems, we study the effects of calibration errors and external white and 1 /f (pink) noise on Majorana-based gates. While a noise-induced antiadiabatic behavior, where a slower process creates more diabatic excitations, prohibits indefinite enhancement of the robustness of the adiabatic scheme, our fast optimal protocols exhibit remarkable stability to noise and have the potential to significantly enhance the practical performance of Majorana-based information processing.

  8. 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.

  9. Quantum dynamics characteristic and the flow of information for an open quantum system under relativistic motion

    Science.gov (United States)

    Sun, Wen-Yang; Wang, Dong; Fang, Bao-Long; Ye, Liu

    2018-03-01

    In this letter, the dynamics characteristics of quantum entanglement (negativity) and distinguishability (trace distance), and the flow of information for an open quantum system under relativistic motion are investigated. Explicitly, we propose a scenario that a particle A held by Alice suffers from an amplitude damping (AD) noise in a flat space-time and another particle B by Bob entangled with A travels with a fixed acceleration under a non-inertial frame. The results show that quantum distinguishability and entanglement are very vulnerable and fragile under the collective influence of AD noise and Unruh effect. Both of them will decrease with the growing intensity of the Unruh effect and the AD thermal bath. It means that the abilities of quantum distinguishability and entanglement to suppress the collective decoherence (AD noise and Unruh effect) are very weak. Furthermore, it turns out that the reduced quantum distinguishability of Alice’s system and Bob in the physically accessible region is distributed to another quantum distinguishability for Alice’s environment and Bob in the physically inaccessible region. That is, the information regarding the scenario is that the lost quantum distinguishability, as a fixed information, flows from the systems to the collective decoherence environment.

  10. Chaotic Dynamics and Transport in Classical and Quantum Systems

    International Nuclear Information System (INIS)

    2003-01-01

    The aim of this summer school is to provide a set of extended and pedagogical lectures, on the major present-day topics in dynamical systems and statistical mechanics including applications. Some articles are dedicated to chaotic transport in plasma turbulence and to quantum chaos. This document gathers the summaries of some presentations

  11. Ultrafast Dynamics of Quantum-Dot Semiconductor Optical Amplifiers

    DEFF Research Database (Denmark)

    Poel, Mike van der; Hvam, Jørn Märcher

    2007-01-01

    We report on a series of experiments on the dynamical properties of quantum-dot semiconductor optical amplifiers. We show how the amplifier responds to one or several ultrafast (170 fs) pulses in rapid succession and our results demonstrate applicability and ultimate limitations to application...

  12. Theory of coherent dynamic nuclear polarization in quantum dots

    DEFF Research Database (Denmark)

    Neder, Izhar; Rudner, Mark Spencer; Halperin, Bertrand

    2014-01-01

    We consider the production of dynamic nuclear spin polarization (DNP) in a two-electron double quantum dot, in which the electronic levels are repeatedly swept through a singlet-triplet avoided crossing. Our analysis helps to elucidate the intriguing interplay between electron-nuclear hyperfine...

  13. Chaotic Dynamics and Transport in Classical and Quantum Systems

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2003-07-01

    The aim of this summer school is to provide a set of extended and pedagogical lectures, on the major present-day topics in dynamical systems and statistical mechanics including applications. Some articles are dedicated to chaotic transport in plasma turbulence and to quantum chaos. This document gathers the summaries of some presentations.

  14. Quantum gravity from simplices: analytical investigations of causal dynamical triangulations

    NARCIS (Netherlands)

    Benedetti, D.

    2007-01-01

    A potentially powerful approach to quantum gravity has been developed over the last few years under the name of Causal Dynamical Triangulations. Although these models can be solved exactly in a variety of ways in the case of pure gravity in (1+1) dimensions,it is difficult to extend any of the

  15. The Dynamic Turn in Quantum Logic

    NARCIS (Netherlands)

    Baltag, A.; Smets, S.

    2012-01-01

    In this paper we show how ideas coming from two areas of research in logic can reinforce each other. The first such line of inquiry concerns the "dynamic turn" in logic and especially the formalisms inspired by Propositional Dynamic Logic (PDL); while the second line concerns research into the

  16. The dynamic turn in quantum logic

    NARCIS (Netherlands)

    Baltag, Alexandru; Smets, Sonja

    In this paper we show how ideas coming from two areas of research in logic can reinforce each other. The first such line of inquiry concerns the "dynamic turn" in logic and especially the formalisms inspired by Propositional Dynamic Logic (PDL); while the second line concerns research into the

  17. 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.

  18. Steering the dynamics within reduced space through quantum learning control

    International Nuclear Information System (INIS)

    Kim, Young Sik

    2003-01-01

    In quantum dynamics of many-body systems, to identify the Hamiltonian becomes more difficult very rapidly as the number of degrees of freedom increases. In order to simplify the dynamics and to deduce dynamically relevant Hamiltonian information, it is desirable to control the dynamics to lie within a reduced space. With a judicious choice for the cost functional, the closed loop optimal control experiments can be manipulated efficiently to steer the dynamics to lie within a subspace of the system eigenstates without requiring any prior detailed knowledge about the system Hamiltonian. The procedure is simulated for optimally controlled population transfer experiments in the system of two degrees of freedom. To show the feasibility of steering the dynamics to lie in a specified subspace, the learning algorithms guiding the dynamics are presented along with frequency filtering. The results demonstrate that the optimal control fields derive the system to the desired target state through the desired subspace

  19. Quantum Gowdy model within the new loop quantum cosmology improved dynamics

    International Nuclear Information System (INIS)

    Martin-Benito, M; Garay, L J; Mena Marugan, G A

    2011-01-01

    The linearly polarized Gowdy T 3 model can be regarded as compact Bianchi I cosmologies with inhomogeneous modes allowed to travel in one direction. We study a hybrid quantization of this model that combines the loop quantization of the Bianchi I background, adopting the improved dynamics scheme put forward by Ashtekar and Wilson-Ewing, with a Fock quantization for the inhomogeneities. The Hamiltonian constraint operator provides a resolution of the cosmological singularity and superselects separable sectors. We analyze the complicated structure of these sectors. In any of them the Hamiltonian constraint provides an evolution equation with respect to the volume of the associated Bianchi I universe, with a well posed initial value problem. This fact allows us to construct the Hilbert space of physical states and to show that we recover the standard quantum field theory for the inhomogeneities.

  20. InP quantum dots embedded in GaP: Optical properties and carrier dynamics

    International Nuclear Information System (INIS)

    Hatami, F.; Masselink, W.T.; Schrottke, L.; Tomm, J.W.; Talalaev, V.; Kristukat, C.; Goni, A.R.

    2003-01-01

    The optical emission and dynamics of carriers in Stranski-Krastanow self-organized InP quantum dots embedded in a GaP matrix are studied. InP deposited on GaP (001) using gas-source molecular-beam epitaxy forms quantum dots for InP coverage greater than 1.8 monolayers. Strong photoluminescence from the quantum dots is observed up to room temperature at about 2 eV; photoluminescence from the two-dimensional InP wetting layer is measured at about 2.2 eV. Modeling based on the 'model-solid theory' indicates that the band alignment for the InP quantum dots is direct and type I. Furthermore, low-temperature time-resolved photoluminescence measurements indicate that the carrier lifetime in the quantum dots is about 2 ns, typical for type-I quantum dots. Pressure-dependent photoluminescence measurements provide further evidence for a type-I band alignment for InP/GaP quantum dots at normal pressure with the GaP X states lying about 30 meV higher than the Γ states in the InP quantum dots, but indicate that they become type II under hydrostatic pressures of about 1.2 GPa

  1. 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.

  2. Classical and quantum dynamics from classical paths to path integrals

    CERN Document Server

    Dittrich, Walter

    2016-01-01

    Graduate students who want to become familiar with advanced computational strategies in classical and quantum dynamics will find here both the fundamentals of a standard course and a detailed treatment of the time-dependent oscillator, Chern-Simons mechanics, the Maslov anomaly and the Berry phase, to name a few. Well-chosen and detailed examples illustrate the perturbation theory, canonical transformations, the action principle and demonstrate the usage of path integrals. This new edition has been revised and enlarged with chapters on quantum electrodynamics, high energy physics, Green’s functions and strong interaction.

  3. 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

  4. Mean field dynamics of some open quantum systems.

    Science.gov (United States)

    Merkli, Marco; Rafiyi, Alireza

    2018-04-01

    We consider a large number N of quantum particles coupled via a mean field interaction to another quantum system (reservoir). Our main result is an expansion for the averages of observables, both of the particles and of the reservoir, in inverse powers of [Formula: see text]. The analysis is based directly on the Dyson series expansion of the propagator. We analyse the dynamics, in the limit [Formula: see text], of observables of a fixed number n of particles, of extensive particle observables and their fluctuations, as well as of reservoir observables. We illustrate our results on the infinite mode Dicke model and on various energy-conserving models.

  5. Mean field dynamics of some open quantum systems

    Science.gov (United States)

    Merkli, Marco; Rafiyi, Alireza

    2018-04-01

    We consider a large number N of quantum particles coupled via a mean field interaction to another quantum system (reservoir). Our main result is an expansion for the averages of observables, both of the particles and of the reservoir, in inverse powers of √{N }. The analysis is based directly on the Dyson series expansion of the propagator. We analyse the dynamics, in the limit N →∞ , of observables of a fixed number n of particles, of extensive particle observables and their fluctuations, as well as of reservoir observables. We illustrate our results on the infinite mode Dicke model and on various energy-conserving models.

  6. 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

  7. Studies of quantum dots in the quantum Hall regime

    Science.gov (United States)

    Goldmann, Eyal

    We present two studies of quantum dots in the quantum Hall regime. In the first study, presented in Chapter 3, we investigate the edge reconstruction phenomenon believed to occur when the quantum dot filling fraction is n≲1 . Our approach involves the examination of large dots (≤40 electrons) using a partial diagonalization technique in which the occupancies of the deep interior orbitals are frozen. To interpret the results of this calculation, we evaluate the overlap between the diagonalized ground state and a set of trial wavefunctions which we call projected necklace (PN) states. A PN state is simply the angular momentum projection of a maximum density droplet surrounded by a ring of localized electrons. Our calculations reveal that PN states have up to 99% overlap with the diagonalized ground states, and are lower in energy than the states identified in Chamon and Wen's study of the edge reconstruction. In the second study, presented in Chapter 4, we investigate quantum dots in the fractional quantum Hall regime using a Hartree formulation of composite fermion theory. We find that under appropriate conditions, the chemical potential of the dots oscillates periodically with B due to the transfer of composite fermions between quasi-Landau bands. This effect is analogous the addition spectrum oscillations which occur in quantum dots in the integer quantum Hall regime. Period f0 oscillations are found in sharply confined dots with filling factors nu = 2/5 and nu = 2/3. Period 3 f0 oscillations are found in a parabolically confined nu = 2/5 dot. More generally, we argue that the oscillation period of dots with band pinning should vary continuously with B, whereas the period of dots without band pinning is f0 .

  8. 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.

  9. Complex dynamics in diatomic molecules. Part II: Quantum trajectories

    International Nuclear Information System (INIS)

    Yang, C.-D.; Weng, H.-J.

    2008-01-01

    The second part of this paper deals with quantum trajectories in diatomic molecules, which has not been considered before in the literature. Morse potential serves as a more accurate function than a simple harmonic oscillator for illustrating a realistic picture about the vibration of diatomic molecules. However, if we determine molecular dynamics by integrating the classical force equations derived from a Morse potential, we will find that the resulting trajectories do not consist with the probabilistic prediction of quantum mechanics. On the other hand, the quantum trajectory determined by Bohmian mechanics [Bohm D. A suggested interpretation of the quantum theory in terms of hidden variable. Phys. Rev. 1952;85:166-179] leads to the conclusion that a diatomic molecule is motionless in all its vibrational eigen-states, which also contradicts probabilistic prediction of quantum mechanics. In this paper, we point out that the quantum trajectory of a diatomic molecule completely consistent with quantum mechanics does exist and can be solved from the quantum Hamilton equations of motion derived in Part I, which is based on a complex-space formulation of fractal spacetime [El Naschie MS. A review of E-Infinity theory and the mass spectrum of high energy particle physics. Chaos, Solitons and Fractals 2004;19:209-36; El Naschie MS. E-Infinity theory - some recent results and new interpretations. Chaos, Solitons and Fractals 2006;29:845-853; El Naschie MS. The concepts of E-infinity. An elementary introduction to the cantorian-fractal theory of quantum physics. Chaos, Solitons and Fractals 2004;22:495-511; El Naschie MS. SU(5) grand unification in a transfinite form. Chaos, Solitons and Fractals 2007;32:370-374; Nottale L. Fractal space-time and microphysics: towards a theory of scale relativity. Singapore: World Scientific; 1993; Ord G. Fractal space time and the statistical mechanics of random works. Chaos, Soiltons and Fractals 1996;7:821-843] approach to quantum

  10. Quantum unitary dynamics in cosmological spacetimes

    International Nuclear Information System (INIS)

    Cortez, Jerónimo; Mena Marugán, Guillermo A.; Velhinho, José M.

    2015-01-01

    We address the question of unitary implementation of the dynamics for scalar fields in cosmological scenarios. Together with invariance under spatial isometries, the requirement of a unitary evolution singles out a rescaling of the scalar field and a unitary equivalence class of Fock representations for the associated canonical commutation relations. Moreover, this criterion provides as well a privileged quantization for the unscaled field, even though the associated dynamics is not unitarily implementable in that case. We discuss the relation between the initial data that determine the Fock representations in the rescaled and unscaled descriptions, and clarify that the S-matrix is well defined in both cases. In our discussion, we also comment on a recently proposed generalized notion of unitary implementation of the dynamics, making clear the difference with the standard unitarity criterion and showing that the two approaches are not equivalent.

  11. Quantum unitary dynamics in cosmological spacetimes

    Energy Technology Data Exchange (ETDEWEB)

    Cortez, Jerónimo, E-mail: jacq@ciencias.unam.mx [Departamento de Física, Facultad de Ciencias, Universidad Nacional Autónoma de México, México D.F. 04510 (Mexico); Mena Marugán, Guillermo A., E-mail: mena@iem.cfmac.csic.es [Instituto de Estructura de la Materia, IEM-CSIC, Serrano 121, 28006 Madrid (Spain); Velhinho, José M., E-mail: jvelhi@ubi.pt [Departamento de Física, Faculdade de Ciências, Universidade da Beira Interior, R. Marquês D’Ávila e Bolama, 6201-001 Covilhã (Portugal)

    2015-12-15

    We address the question of unitary implementation of the dynamics for scalar fields in cosmological scenarios. Together with invariance under spatial isometries, the requirement of a unitary evolution singles out a rescaling of the scalar field and a unitary equivalence class of Fock representations for the associated canonical commutation relations. Moreover, this criterion provides as well a privileged quantization for the unscaled field, even though the associated dynamics is not unitarily implementable in that case. We discuss the relation between the initial data that determine the Fock representations in the rescaled and unscaled descriptions, and clarify that the S-matrix is well defined in both cases. In our discussion, we also comment on a recently proposed generalized notion of unitary implementation of the dynamics, making clear the difference with the standard unitarity criterion and showing that the two approaches are not equivalent.

  12. Quantum dynamics and electronic spectroscopy within the framework of wavelets

    International Nuclear Information System (INIS)

    Toutounji, Mohamad

    2013-01-01

    This paper serves as a first-time report on formulating important aspects of electronic spectroscopy and quantum dynamics in condensed harmonic systems using the framework of wavelets, and a stepping stone to our future work on developing anharmonic wavelets. The Morlet wavelet is taken to be the mother wavelet for the initial state of the system of interest. This work reports daughter wavelets that may be used to study spectroscopy and dynamics of harmonic systems. These wavelets are shown to arise naturally upon optical electronic transition of the system of interest. Natural birth of basis (daughter) wavelets emerging on exciting an electronic two-level system coupled, both linearly and quadratically, to harmonic phonons is discussed. It is shown that this takes place through using the unitary dilation and translation operators, which happen to be part of the time evolution operator of the final electronic state. The corresponding optical autocorrelation function and linear absorption spectra are calculated to test the applicability and correctness of the herein results. The link between basis wavelets and the Liouville space generating function is established. An anharmonic mother wavelet is also proposed in the case of anharmonic electron–phonon coupling. A brief description of deriving anharmonic wavelets and the corresponding anharmonic Liouville space generating function is explored. In conclusion, a mother wavelet (be it harmonic or anharmonic) which accounts for Duschinsky mixing is suggested. (paper)

  13. Dynamics of quantum tomography in an open system

    Science.gov (United States)

    Uchiyama, Chikako

    2015-06-01

    In this study, we provide a way to describe the dynamics of quantum tomography in an open system with a generalized master equation, considering a case where the relevant system under tomographic measurement is influenced by the environment. We apply this to spin tomography because such situations typically occur in μSR (muon spin rotation/relaxation/resonance) experiments where microscopic features of the material are investigated by injecting muons as probes. As a typical example to describe the interaction between muons and a sample material, we use a spin-boson model where the relevant spin interacts with a bosonic environment. We describe the dynamics of a spin tomogram using a time-convolutionless type of generalized master equation that enables us to describe short time scales and/or low-temperature regions. Through numerical evaluation for the case of Ohmic spectral density with an exponential cutoff, a clear interdependency is found between the time evolution of elements of the density operator and a spin tomogram. The formulation in this paper may provide important fundamental information for the analysis of results from, for example, μSR experiments on short time scales and/or in low-temperature regions using spin tomography.

  14. 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.

  15. Molecular dynamics simulations and quantum chemical calculations ...

    African Journals Online (AJOL)

    Molecular dynamic simulation results indicate that the imidazoline derivative molecules uses the imidazoline ring to effectively adsorb on the surface of iron, with the alkyl hydrophobic tail forming an n shape (canopy like covering) at geometry optimization and at 353 K. The n shape canopy like covering to a large extent may ...

  16. The dynamical entropy of quantum systems

    International Nuclear Information System (INIS)

    Connes, A.; Narnhofer, H.; Thirring, W.

    1987-01-01

    The definition of the dynamical entropy for automorphisms of C * - algebras is represented. Several properties are discussed; especially it is argued that the entropy of the shift can be shown in special cases to be equal with the entropy density. (Author)

  17. Loop quantum cosmology: from pre-inflationary dynamics to observations

    International Nuclear Information System (INIS)

    Ashtekar, Abhay; Barrau, Aurélien

    2015-01-01

    The Planck collaboration has provided us rich information about the early Universe, and a host of new observational missions will soon shed further light on the ‘anomalies’ that appear to exist on the largest angular scales. From a quantum gravity perspective, it is natural to inquire if one can trace back the origin of such puzzling features to Planck scale physics. Loop quantum cosmology provides a promising avenue to explore this issue because of its natural resolution of the big bang singularity. Thanks to advances over the last decade, the theory has matured sufficiently to allow concrete calculations of the phenomenological consequences of its pre-inflationary dynamics. In this article we summarize the current status of the ensuing two-way dialog between quantum gravity and observations. (paper)

  18. Optimally combining dynamical decoupling and quantum error correction.

    Science.gov (United States)

    Paz-Silva, Gerardo A; Lidar, D A

    2013-01-01

    Quantum control and fault-tolerant quantum computing (FTQC) are two of the cornerstones on which the hope of realizing a large-scale quantum computer is pinned, yet only preliminary steps have been taken towards formalizing the interplay between them. Here we explore this interplay using the powerful strategy of dynamical decoupling (DD), and show how it can be seamlessly and optimally integrated with FTQC. To this end we show how to find the optimal decoupling generator set (DGS) for various subspaces relevant to FTQC, and how to simultaneously decouple them. We focus on stabilizer codes, which represent the largest contribution to the size of the DGS, showing that the intuitive choice comprising the stabilizers and logical operators of the code is in fact optimal, i.e., minimizes a natural cost function associated with the length of DD sequences. Our work brings hybrid DD-FTQC schemes, and their potentially considerable advantages, closer to realization.

  19. Study of the dynamics of the lower hybrid wave during current drive in tokamaks and of the Weyl-Wigner in quantum mechanics

    International Nuclear Information System (INIS)

    Bizarro, J.P.

    1993-10-01

    A comprehensive and detailed investigation is presented on the dynamics of the lower hybrid wave during current drive in tokamaks in situations where toroidally induced ray stochasticity is important and on the Weyl-Wigner formalism for rotation angle and angular momentum variables in quantum mechanics. It is shown that ray-tracing and Fokker-Planck codes are reliable tools for modelling the physics of lower-hybrid current drive provided a large number of rays is used when stochastic effects are important, and, in particular, that such codes are capable of reproducing the experimentally observed features of the hard X-ray emission. The balance between the wave damping and the stochastic divergence of nearby ray trajectories appears to be of great importance in governing the dynamics of the launched power spectrum and in establishing the characteristics of the deposition patterns. The implications of rotational periodicity and of angular momentum quantization for the Weyl-Wigner formalism are analyzed. Particular attention is paid to discreteness and its consequences: importance of evenness and oddness, use of two difference operators instead of one differential operator. 24 refs

  20. Dynamical quantum Hall effect in the parameter space.

    Science.gov (United States)

    Gritsev, V; Polkovnikov, A

    2012-04-24

    Geometric phases in quantum mechanics play an extraordinary role in broadening our understanding of fundamental significance of geometry in nature. One of the best known examples is the Berry phase [M.V. Berry (1984), Proc. Royal. Soc. London A, 392:45], which naturally emerges in quantum adiabatic evolution. So far the applicability and measurements of the Berry phase were mostly limited to systems of weakly interacting quasi-particles, where interference experiments are feasible. Here we show how one can go beyond this limitation and observe the Berry curvature, and hence the Berry phase, in generic systems as a nonadiabatic response of physical observables to the rate of change of an external parameter. These results can be interpreted as a dynamical quantum Hall effect in a parameter space. The conventional quantum Hall effect is a particular example of the general relation if one views the electric field as a rate of change of the vector potential. We illustrate our findings by analyzing the response of interacting spin chains to a rotating magnetic field. We observe the quantization of this response, which we term the rotational quantum Hall effect.

  1. Dynamics of Coupled Quantum Spin Chains

    International Nuclear Information System (INIS)

    Schulz, H.J.

    1996-01-01

    Static and dynamical properties of weakly coupled antiferromagnetic spin chains are treated using a mean-field approximation for the interchain coupling and exact results for the resulting effective one-dimensional problem. Results for staggered magnetization, Nacute eel temperature, and spin wave excitations are in agreement with experiments on KCuF 3 . The existence of a narrow longitudinal mode is predicted. The results are in agreement with general scaling arguments, contrary to spin wave theory. copyright 1996 The American Physical Society

  2. Dynamic electron-ion collisions and nuclear quantum effects in quantum simulation of warm dense matter

    Science.gov (United States)

    Kang, Dongdong; Dai, Jiayu

    2018-02-01

    The structural, thermodynamic and transport properties of warm dense matter (WDM) are crucial to the fields of astrophysics and planet science, as well as inertial confinement fusion. WDM refers to the states of matter in a regime of temperature and density between cold condensed matter and hot ideal plasmas, where the density is from near-solid up to ten times solid density, and the temperature between 0.1 and 100 eV. In the WDM regime, matter exhibits moderately or strongly coupled, partially degenerate properties. Therefore, the methods used to deal with condensed matter and isolated atoms need to be properly validated for WDM. It is therefore a big challenge to understand WDM within a unified theoretical description with reliable accuracy. Here, we review the progress in the theoretical study of WDM with state-of-the-art simulations, i.e. quantum Langevin molecular dynamics and first principles path integral molecular dynamics. The related applications for WDM are also included.

  3. Studies in quantum field theory

    International Nuclear Information System (INIS)

    Bender, C.M.; Mandula, J.E.; Shrauner, J.E.

    1982-01-01

    Washington University is currently conducting research in many areas of high energy theoretical and mathematical physics. These areas include: strong-coupling approximation; classical solutions of non-Abelian gauge theories; mean-field approximation in quantum field theory; path integral and coherent state representations in quantum field theory; lattice gauge calculations; the nature of perturbation theory in large orders; quark condensation in QCD; chiral symmetry breaking; the l/N expansion in quantum field theory; effective potential and action in quantum field theories, including QCD

  4. Entanglement dynamics in quantum information theory

    Energy Technology Data Exchange (ETDEWEB)

    Cubitt, T.S.

    2007-03-29

    This thesis contributes to the theory of entanglement dynamics, that is, the behaviour of entanglement in systems that are evolving with time. Progressively more complex multipartite systems are considered, starting with low-dimensional tripartite systems, whose entanglement dynamics can nonetheless display surprising properties, progressing through larger networks of interacting particles, and finishing with infinitely large lattice models. Firstly, what is perhaps the most basic question in entanglement dynamics is considered: what resources are necessary in order to create entanglement between distant particles? The answer is surprising: sending separable states between the parties is sufficient; entanglement can be created without it being carried by a ''messenger'' particle. The analogous result also holds in the continuous-time case: two particles interacting indirectly via a common ancilla particle can be entangled without the ancilla ever itself becoming entangled. The latter result appears to discount any notion of entanglement flow. However, for pure states, this intuitive idea can be recovered, and even made quantitative. A ''bottleneck'' inequality is derived that relates the entanglement rate of the end particles in a tripartite chain to the entanglement of the middle one. In particular, no entanglement can be created if the middle particle is not entangled. However, although this result can be applied to general interaction networks, it does not capture the full entanglement dynamics of these more complex systems. This is remedied by the derivation of entanglement rate equations, loosely analogous to the rate equations describing a chemical reaction. A complete set of rate equations for a system reflects the full structure of its interaction network, and can be used to prove a lower bound on the scaling with chain length of the time required to entangle the ends of a chain. Finally, in contrast with these more

  5. Entanglement dynamics in quantum information theory

    International Nuclear Information System (INIS)

    Cubitt, T.S.

    2007-01-01

    This thesis contributes to the theory of entanglement dynamics, that is, the behaviour of entanglement in systems that are evolving with time. Progressively more complex multipartite systems are considered, starting with low-dimensional tripartite systems, whose entanglement dynamics can nonetheless display surprising properties, progressing through larger networks of interacting particles, and finishing with infinitely large lattice models. Firstly, what is perhaps the most basic question in entanglement dynamics is considered: what resources are necessary in order to create entanglement between distant particles? The answer is surprising: sending separable states between the parties is sufficient; entanglement can be created without it being carried by a ''messenger'' particle. The analogous result also holds in the continuous-time case: two particles interacting indirectly via a common ancilla particle can be entangled without the ancilla ever itself becoming entangled. The latter result appears to discount any notion of entanglement flow. However, for pure states, this intuitive idea can be recovered, and even made quantitative. A ''bottleneck'' inequality is derived that relates the entanglement rate of the end particles in a tripartite chain to the entanglement of the middle one. In particular, no entanglement can be created if the middle particle is not entangled. However, although this result can be applied to general interaction networks, it does not capture the full entanglement dynamics of these more complex systems. This is remedied by the derivation of entanglement rate equations, loosely analogous to the rate equations describing a chemical reaction. A complete set of rate equations for a system reflects the full structure of its interaction network, and can be used to prove a lower bound on the scaling with chain length of the time required to entangle the ends of a chain. Finally, in contrast with these more abstract results, the entanglement and

  6. Dynamic localization in finite quantum dot superlattices

    International Nuclear Information System (INIS)

    Madureira, Justino R.; Schulz, Peter A.; Maialle, Marcelo Z.

    2004-01-01

    Full text: The dynamic properties of electrons and holes in low dimensional systems, driven by ac fields, reveal exciting emergent phenomena in the time span around the turn of the century. Such a rich scenario has been established by the concurrent development of powerful theoretical analysis tools, design and realization of high quality nano structured devices, as well as of tunable microwave and T Hz ac field sources. These striking developments made possible the exploration of the interaction of T Hz fields with condensed matter, leading even to biological tissue imaging. Therefore, a microscopic understanding of the T Hz field effects on designed nano structures constitute an important framework for further developments. A very interesting example in this context is the prediction of dynamic localization, which has been a subject of intense research in the past few years, from both theoretical and experimental point of views. The initial prediction states that, within a single band tight-binding approximation, an initially localized particle will return to its initial state following the periodical evolution of a driving pure sinusoidal field. This phenomenon can be simply visualized by the related collapse of the quasi energy mini bands, i.e., the localization of electronic states of a periodic unidimensional structure in real space driven by a field periodic in time. Such collapses occur whenever the field intensity/frequency ratio, eaF/(h/2π)ω, is a root of the zero-order Bessel function of the first kind. The quest for experimental signatures of dynamic localization is an involved task, since a variety of perturbations to an ideal situation is always present in real systems. The question that has to be answered is how the dynamic localization, related to the quasi-energy mini band collapses, may be identified in a context where concurring effects also tend to modify the quasi-energy spectra. For semiconductor superlattices, dynamic localization has been

  7. Classical and quantum dynamics of a kicked relativistic particle in a box

    Science.gov (United States)

    Yusupov, J. R.; Otajanov, D. M.; Eshniyazov, V. E.; Matrasulov, D. U.

    2018-03-01

    We study classical and quantum dynamics of a kicked relativistic particle confined in a one dimensional box. It is found that in classical case for chaotic motion the average kinetic energy grows in time, while for mixed regime the growth is suppressed. However, in case of regular motion energy fluctuates around certain value. Quantum dynamics is treated by solving the time-dependent Dirac equation with delta-kicking potential, whose exact solution is obtained for single kicking period. In quantum case, depending on the values of the kicking parameters, the average kinetic energy can be quasi periodic, or fluctuating around some value. Particle transport is studied by considering spatio-temporal evolution of the Gaussian wave packet and by analyzing the trembling motion.

  8. Kraus map for non-Markovian quantum dynamics driven by a thermal reservoir

    NARCIS (Netherlands)

    van Wonderen, A.J.; Suttorp, L.G.

    2013-01-01

    Starting from unitary dynamics we study the evolution in time of a non-relativistic quantum system that exchanges energy with a thermal reservoir of harmonic oscillators. System and reservoir are assumed to be initially decorrelated. Reservoir correlation functions are factorized by means of a Kraus

  9. Carrier dynamics in submonolayer InGaAs/GaAs quantum dots

    DEFF Research Database (Denmark)

    Xu, Zhangcheng; Zhang, Yating; Hvam, Jørn Märcher

    2006-01-01

    Carrier dynamics of submonolayer InGaAs/GaAs quantum dots (QDs) were studied by microphotoluminecence (MPL), selectively excited photoluminescence (SEPL), and time-resolved photoluminescence (TRPL). MPL and SEPL show the coexistence of localized and delocalized states, and different local phonon...

  10. 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.

  11. 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.

  12. 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.

  13. Nonlinear laser dynamics from quantum dots to cryptography

    CERN Document Server

    Lüdge, Kathy

    2012-01-01

    A distinctive discussion of the nonlinear dynamical phenomena of semiconductor lasers. The book combines recent results of quantum dot laser modeling with mathematical details and an analytic understanding of nonlinear phenomena in semiconductor lasers and points out possible applications of lasers in cryptography and chaos control. This interdisciplinary approach makes it a unique and powerful source of knowledge for anyone intending to contribute to this field of research.By presenting both experimental and theoretical results, the distinguished authors consider solitary lase

  14. High-field spin dynamics of antiferromagnetic quantum spin chains

    DEFF Research Database (Denmark)

    Enderle, M.; Regnault, L.P.; Broholm, C.

    2000-01-01

    present recent work on the high-field spin dynamics of the S = I antiferromagnetic Heisenberg chains NENP (Haldane ground state) and CsNiCl3 (quasi-1D HAF close to the quantum critical point), the uniform S = 1/2 chain CTS, and the spin-Peierls system CuGeO3. (C) 2000 Elsevier Science B,V. All rights...

  15. Limitations on tests of quantum flavour dynamics from quark confinement

    International Nuclear Information System (INIS)

    Pietschmann, H.

    1989-01-01

    Quantum Flavour Dynamics is a theory of electroweak interactions. The Lagrangian is formulated for leptons and quarks. Since quarks are not directly accessible in experiment, predictions are model-dependent and the predictive power of the theory is limited. In view of these limitations QFD theory is formulated and confronted in several instances with experimental results: leptonic- and semi-leptonic processes, non-leptonic decay processes and radiative decay processes. 17 refs. (qui)

  16. LSZ asymptotic condition and dynamic equations in quantum field theory

    International Nuclear Information System (INIS)

    Arkhipov, A.A.; Savrin, V.I.

    1983-01-01

    Some techniques that may be appropriate for the derivation of dynamic equations in quantum field theory are considered. A new method of deriving equations based on the use of LSZ asymptotic condition is described. It is proved that with the help of this method it becomes possible to obtain equations for wave functions both of scattering and bound states. Work is described in several papers under the dame title. The first paper is devoted to the Bethe-Salpeter equation

  17. 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.

  18. Method for discovering relationships in data by dynamic quantum clustering

    Science.gov (United States)

    Weinstein, Marvin; Horn, David

    2014-10-28

    Data clustering is provided according to a dynamical framework based on quantum mechanical time evolution of states corresponding to data points. To expedite computations, we can approximate the time-dependent Hamiltonian formalism by a truncated calculation within a set of Gaussian wave-functions (coherent states) centered around the original points. This allows for analytic evaluation of the time evolution of all such states, opening up the possibility of exploration of relationships among data-points through observation of varying dynamical-distances among points and convergence of points into clusters. This formalism may be further supplemented by preprocessing, such as dimensional reduction through singular value decomposition and/or feature filtering.

  19. Dynamics of symmetry breaking during quantum real-time evolution in a minimal model system.

    Science.gov (United States)

    Heyl, Markus; Vojta, Matthias

    2014-10-31

    One necessary criterion for the thermalization of a nonequilibrium quantum many-particle system is ergodicity. It is, however, not sufficient in cases where the asymptotic long-time state lies in a symmetry-broken phase but the initial state of nonequilibrium time evolution is fully symmetric with respect to this symmetry. In equilibrium, one particular symmetry-broken state is chosen as a result of an infinitesimal symmetry-breaking perturbation. From a dynamical point of view the question is: Can such an infinitesimal perturbation be sufficient for the system to establish a nonvanishing order during quantum real-time evolution? We study this question analytically for a minimal model system that can be associated with symmetry breaking, the ferromagnetic Kondo model. We show that after a quantum quench from a completely symmetric state the system is able to break its symmetry dynamically and discuss how these features can be observed experimentally.

  20. 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.

  1. Universal spin dynamics in quantum wires

    Energy Technology Data Exchange (ETDEWEB)

    Fajardo, E. A.; Zülicke, U.; Winkler, R.

    2017-10-01

    We discuss the universal spin dynamics in quasi-one-dimensional systems including the real spin in narrow-gap semiconductors like InAs and InSb, the valley pseudospin in staggered single-layer graphene, and the combination of real spin and valley pseudospin characterizing single-layer transition metal dichalcogenides (TMDCs) such as MoS2, WS2, MoS2, and WSe2. All these systems can be described by the same Dirac-like Hamiltonian. Spin-dependent observable effects in one of these systems thus have counterparts in each of the other systems. Effects discussed in more detail include equilibrium spin currents, current-induced spin polarization (Edelstein effect), and spin currents generated via adiabatic spin pumping. Our work also suggests that a long-debated spin-dependent correction to the position operator in single-band models should be absent.

  2. 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)

  3. A Molecular Dynamics (MD and Quantum Mechanics/Molecular Mechanics (QM/MM Study on Ornithine Cyclodeaminase (OCD: A Tale of Two Iminiums

    Directory of Open Access Journals (Sweden)

    James W. Gauld

    2012-10-01

    Full Text Available Ornithine cyclodeaminase (OCD is an NAD+-dependent deaminase that is found in bacterial species such as Pseudomonas putida. Importantly, it catalyzes the direct conversion of the amino acid L-ornithine to L-proline. Using molecular dynamics (MD and a hybrid quantum mechanics/molecular mechanics (QM/MM method in the ONIOM formalism, the catalytic mechanism of OCD has been examined. The rate limiting step is calculated to be the initial step in the overall mechanism: hydride transfer from the L-ornithine’s Cα–H group to the NAD+ cofactor with concomitant formation of a Cα=NH2+ Schiff base with a barrier of 90.6 kJ mol−1. Importantly, no water is observed within the active site during the MD simulations suitably positioned to hydrolyze the Cα=NH2+ intermediate to form the corresponding carbonyl. Instead, the reaction proceeds via a non-hydrolytic mechanism involving direct nucleophilic attack of the δ-amine at the Cα-position. This is then followed by cleavage and loss of the α-NH2 group to give the Δ1-pyrroline-2-carboxylate that is subsequently reduced to L-proline.

  4. A Molecular Dynamics (MD) and Quantum Mechanics/Molecular Mechanics (QM/MM) Study on Ornithine Cyclodeaminase (OCD): A Tale of Two Iminiums

    Science.gov (United States)

    Ion, Bogdan F.; Bushnell, Eric A. C.; De Luna, Phil; Gauld, James W.

    2012-01-01

    Ornithine cyclodeaminase (OCD) is an NAD+-dependent deaminase that is found in bacterial species such as Pseudomonas putida. Importantly, it catalyzes the direct conversion of the amino acid L-ornithine to L-proline. Using molecular dynamics (MD) and a hybrid quantum mechanics/molecular mechanics (QM/MM) method in the ONIOM formalism, the catalytic mechanism of OCD has been examined. The rate limiting step is calculated to be the initial step in the overall mechanism: hydride transfer from the L-ornithine’s Cα–H group to the NAD+ cofactor with concomitant formation of a Cα=NH2 + Schiff base with a barrier of 90.6 kJ mol−1. Importantly, no water is observed within the active site during the MD simulations suitably positioned to hydrolyze the Cα=NH2 + intermediate to form the corresponding carbonyl. Instead, the reaction proceeds via a non-hydrolytic mechanism involving direct nucleophilic attack of the δ-amine at the Cα-position. This is then followed by cleavage and loss of the α-NH2 group to give the Δ1-pyrroline-2-carboxylate that is subsequently reduced to L-proline. PMID:23202934

  5. Exact quantum dynamics study of the O++H2(v=0,j=0)→OH++H ion-molecule reaction and comparison with quasiclassical trajectory calculations

    International Nuclear Information System (INIS)

    Martinez, Rodrigo; Lucas, Josep M.; Gimenez, Xavier; Aguilar, Antonio; Gonzalez, Miguel

    2006-01-01

    The close-coupling hyperspherical (CCH) exact quantum method was used to study the title barrierless reaction up to a collision energy (E T ) of 0.75 eV, and the results compared with quasiclassical trajectory (QCT) calculations to determine the importance of quantum effects. The CCH integral cross section decreased with E T and, although the QCT results were in general quite similar to the CCH ones, they presented a significant deviation from the CCH data within the 0.2-0.6 eV collision energy range, where the QCT method did not correctly describe the reaction probability. A very good accord between both methods was obtained for the OH + vibrational distribution, where no inversion of population was found. For the OH + rotational distributions, the agreement between the CCH and QCT results was not as good as in the vibrational case, but it was satisfactory in many conditions. The kk ' angular distribution showed a preferential forward character, and the CCH method produced higher forward peaks than the QCT one. All the results were interpreted considering the potential energy surface and plots of a representative sampling of reactive trajectories

  6. Molecular dynamics and quantum chemical calculation studies on 4,4-dimethyl-3-thiosemicarbazide as corrosion inhibitor in 2.5 M H{sub 2}SO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Musa, Ahmed Y., E-mail: ahmed.musa@ymail.com [Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangor (Malaysia); Kadhum, Abdul Amir H.; Mohamad, Abu Bakar; Takriff, Mohd Sobri [Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, Bangi 43600, Selangor (Malaysia)

    2011-09-15

    Highlights: {yields} This work deals with a study of chemical additives for corrosion inhibition of mild steel in acidic conditions. {yields} The effects of the additive 4,4-dimethyl-3-thiosemicarbazide (DTS) on mild steel were studied by means of electrochemical techniques. {yields} Quantum chemical calculations and molecular dynamic model were performed to characterize the inhibition mechanism. {yields} The calculations provided information that helps in the analysis/interpretation of the experimental work. - Abstract: The inhibition of mild steel corrosion in a 2.5 M H{sub 2}SO{sub 4} solution by 4,4-dimethyl-3-thiosemicarbazide (DTS) was studied at 30 deg. C using potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). Quantum chemical parameters were calculated for DTS using PM3-SCF method. The molecular dynamic method was performed to simulate the adsorption of the DTS molecules on Fe surface. Results showed that DTS performed excellent as inhibitor for mild steel corrosion in a 2.5 M H{sub 2}SO{sub 4} solution and indicated that the inhibition efficiencies increase with the concentration of inhibitor. Theoretical results indicated that DTS could adsorb on the mild steel surface firmly through heteroatoms.

  7. 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

  8. Exact solutions in the dynamics of alternating open chains of spins s = 1/2 with the XY Hamiltonian and their application to problems of multiple-quantum dynamics and quantum information theory

    International Nuclear Information System (INIS)

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

    2006-01-01

    A method for exactly diagonalizing the XY Hamiltonian of an alternating open chain of spins s = 1/2 has been proposed on the basis of the Jordan-Wigner transformation and analysis of the dynamics of spinless fermions. The multiple-quantum spin dynamics of alternating open chains at high temperatures has been analyzed and the intensities of multiple-quantum coherences have been calculated. The problem of the transfer of a quantum state from one end of the alternating chain to the other is studied. It has been shown that the ideal transfer of qubits is possible in alternating chains with a larger number of spins than that in homogeneous chains

  9. 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.

  10. 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)

  11. Stabilizing simulations of complex stochastic representations for quantum dynamical systems

    Energy Technology Data Exchange (ETDEWEB)

    Perret, C; Petersen, W P, E-mail: wpp@math.ethz.ch [Seminar for Applied Mathematics, ETH, Zurich (Switzerland)

    2011-03-04

    Path integral representations of quantum dynamics can often be formulated as stochastic differential equations (SDEs). In a series of papers, Corney and Drummond (2004 Phys. Rev. Lett. 93 260401), Deuar and Drummond (2001 Comput. Phys. Commun. 142 442-5), Drummond and Gardnier (1980 J. Phys. A: Math. Gen. 13 2353-68), Gardiner and Zoller (2004 Quantum Noise: A Handbook of Markovian and Non-Markovian Quantum Stochastic Methods with Applications to Quantum Optics (Springer Series in Synergetics) 3rd edn (Berlin: Springer)) and Gilchrist et al (1997 Phys. Rev. A 55 3014-32) and their collaborators have derived SDEs from coherent states representations for density matrices. Computationally, these SDEs are attractive because they seem simple to simulate. They can be quite unstable, however. In this paper, we consider some of the instabilities and propose a few remedies. Particularly, because the variances of the simulated paths typically grow exponentially, the processes become de-localized in relatively short times. Hence, the issues of boundary conditions and stable integration methods become important. We use the Bose-Einstein Hamiltonian as an example. Our results reveal that it is possible to significantly extend integration times and show the periodic structure of certain functionals.

  12. 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.

  13. 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

  14. First-principles quantum molecular dynamics study of Ti x Zr1-x N(111)/SiN y heterostructures and comparison with experimental results.

    Science.gov (United States)

    Ivashchenko, Volodymyr; Veprek, Stan; Pogrebnjak, Alexander; Postolnyi, Bogdan

    2014-04-01

    The heterostructures of five monolayers B1-Ti x Zr 1- x N(111), x = 1.0, 0.6, 0.4 and 0.0 (where B1 is a NaCl-type structure) with one monolayer of a Si 3 N 4 -like Si 2 N 3 interfacial layer were investigated by means of first-principles quantum molecular dynamics and a structure optimization procedure using the Quantum ESPRESSO code. Slabs consisting of stoichiometric TiN and ZrN and random, as well as segregated, B1-Ti x Zr 1- x N(111) solutions were considered. The calculations of the B1-Ti x Zr 1- x N solid solutions, as well as of the heterostructures, showed that the pseudo-binary TiN-ZrN system exhibits a miscibility gap. The segregated heterostructures in which Zr atoms surround the Si y N z interface were found to be the most stable. For the Zr-rich heterostructures, the total energy of the random solid solution was lower compared to that of the segregated one, whereas for the Ti-rich heterostructures the opposite tendency was observed. Hard and super hard Zr-Ti-Si-N coatings with thicknesses from 2.8 to 3.5 μ m were obtained using a vacuum arc source with high frequency stimulation. The samples were annealed in a vacuum and in air at 1200 °C. Experimental investigations of Zr-Ti-N, Zr-Ti-Si-N and Ti-Si-N coatings with different Zr, Ti and Si concentrations were carried out for comparison with results obtained from Ti x Zr 1 - x N(111)/SiN y systems. During annealing, the hardness of the best series samples was increased from (39.6 ± 1.4) to 53.6 GPa, which seemed to indicate that a spinodal segregation along grain interfaces was finished. A maximum hardness of 40.8 GPa before and 55 GPa after annealing in air at 500 °C was observed for coatings with a concentration of elements of Si≽ (7-8) at.%, Ti ≽ 22 at.% and Zr ⩽ 70 at.%.

  15. Dynamical manifestations of quantum chaos: correlation hole and bulge

    Science.gov (United States)

    Torres-Herrera, E. J.; Santos, Lea F.

    2017-10-01

    A main feature of a chaotic quantum system is a rigid spectrum where the levels do not cross. We discuss how the presence of level repulsion in lattice many-body quantum systems can be detected from the analysis of their time evolution instead of their energy spectra. This approach is advantageous to experiments that deal with dynamics, but have limited or no direct access to spectroscopy. Dynamical manifestations of avoided crossings occur at long times. They correspond to a drop, referred to as correlation hole, below the asymptotic value of the survival probability and to a bulge above the saturation point of the von Neumann entanglement entropy and the Shannon information entropy. By contrast, the evolution of these quantities at shorter times reflects the level of delocalization of the initial state, but not necessarily a rigid spectrum. The correlation hole is a general indicator of the integrable-chaos transition in disordered and clean models and as such can be used to detect the transition to the many-body localized phase in disordered interacting systems. This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'.

  16. Quantum optimal control theory and dynamic coupling in the spin-boson model

    International Nuclear Information System (INIS)

    Jirari, H.; Poetz, W.

    2006-01-01

    A Markovian master equation describing the evolution of open quantum systems in the presence of a time-dependent external field is derived within the Bloch-Redfield formalism. It leads to a system-bath interaction which depends on the control field. Optimal control theory is used to select control fields which allow accelerated or decelerated system relaxation, or suppression of relaxation (dissipation) altogether, depending on the dynamics we impose on the quantum system. The control-dissipation correlation and the nonperturbative treatment of the control field are essential for reaching this goal. The optimal control problem is formulated within Pontryagin's minimum principle and the resulting optimal differential system is solved numerically. As an application, we study the dynamics of a spin-boson model in the strong coupling regime under the influence of an external control field. We show how trapping the system in unstable quantum states and transfer of population can be achieved by optimized control of the dissipative quantum system. We also used optimal control theory to find the driving field that generates the quantum Z gate. In several cases studied, we find that the selected optimal field which reduces the purity loss significantly is a multicomponent low-frequency field including higher harmonics, all of which lie below the phonon cutoff frequency. Finally, in the undriven case we present an analytic result for the Lamb shift at zero temperature

  17. Dynamics of a quantum two-level system under the action of phase-diffusion field

    Energy Technology Data Exchange (ETDEWEB)

    Sobakinskaya, E.A. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Pankratov, A.L., E-mail: alp@ipm.sci-nnov.ru [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation); Vaks, V.L. [Institute for Physics of Microstructures of RAS, Nizhny Novgorod, 603950 (Russian Federation)

    2012-01-09

    We study a behavior of quantum two-level system, interacting with noisy phase-diffusion field. The dynamics is shown to split into two regimes, determined by the coherence time of the phase-diffusion field. For both regimes we present a model of quantum system behavior and discuss possible applications of the obtained effect for spectroscopy. In particular, the obtained analytical formula for the macroscopic polarization demonstrates that the phase-diffusion field does not affect the absorption line shape, which opens up an intriguing possibility of noisy spectroscopy, based on broadband sources with Lorentzian line shape. -- Highlights: ► We study dynamics of quantum system interacting with noisy phase-diffusion field. ► At short times the phase-diffusion field induces polarization in the quantum system. ► At long times the noise leads to polarization decay and heating of a quantum system. ► Simple model of interaction is derived. ► Application of the described effects for spectroscopy is discussed.

  18. Holographic control of information and dynamical topology change for composite open quantum systems

    Science.gov (United States)

    Aref'eva, I. Ya.; Volovich, I. V.; Inozemcev, O. V.

    2017-12-01

    We analyze how the compositeness of a system affects the characteristic time of equilibration. We study the dynamics of open composite quantum systems strongly coupled to the environment after a quantum perturbation accompanied by nonequilibrium heating. We use a holographic description of the evolution of entanglement entropy. The nonsmooth character of the evolution with holographic entanglement is a general feature of composite systems, which demonstrate a dynamical change of topology in the bulk space and a jumplike velocity change of entanglement entropy propagation. Moreover, the number of jumps depends on the system configuration and especially on the number of composite parts. The evolution of the mutual information of two composite systems inherits these jumps. We present a detailed study of the mutual information for two subsystems with one of them being bipartite. We find five qualitatively different types of behavior of the mutual information dynamics and indicate the corresponding regions of the system parameters.

  19. From Classical to Quantum: New Canonical Tools for the Dynamics of Gravity

    Science.gov (United States)

    Höhn, P. A.

    2012-05-01

    In a gravitational context, canonical methods offer an intuitive picture of the dynamics and simplify an identification of the degrees of freedom. Nevertheless, extracting dynamical information from background independent approaches to quantum gravity is a highly non-trivial challenge. In this thesis, the conundrum of (quantum) gravitational dynamics is approached from two different directions by means of new canonical tools. This thesis is accordingly divided into two parts: In the first part, a general canonical formalism for discrete systems featuring a variational action principle is developed which is equivalent to the covariant formulation following directly from the action. This formalism can handle evolving phase spaces and is thus appropriate for describing evolving lattices. Attention will be devoted to a characterization of the constraints, symmetries and degrees of freedom appearing in such discrete systems which, in the case of evolving phase spaces, is time step dependent. The advantage of this formalism is that it does not depend on the particular discretization and, hence, is suitable for coarse graining procedures. This formalism is applicable to discrete mechanics, lattice field theories and discrete gravity models---underlying some approaches to quantum gravity---and, furthermore, may prove useful for numerical imple mentations. For concreteness, these new tools are employed to formulate Regge Calculus canonically as a theory of the dynamics of discrete hypersurfaces in discrete spacetimes, thereby removing a longstanding obstacle to connecting covariant simplicial gravity models with canonical frameworks. This result is interesting in view of several background independent approaches to quantum gravity. In addition, perturbative expansions around symmetric background solutions of Regge Calculus are studied up to second order. Background gauge modes generically become propagating at second order as a consequence of a symmetry breaking. In the

  20. Scale relativity: from quantum mechanics to chaotic dynamics.

    Science.gov (United States)

    Nottale, L.

    Scale relativity is a new approach to the problem of the origin of fundamental scales and of scaling laws in physics, which consists in generalizing Einstein's principle of relativity to the case of scale transformations of resolutions. We recall here how it leads one to the concept of fractal space-time, and to introduce a new complex time derivative operator which allows to recover the Schrödinger equation, then to generalize it. In high energy quantum physics, it leads to the introduction of a Lorentzian renormalization group, in which the Planck length is reinterpreted as a lowest, unpassable scale, invariant under dilatations. These methods are successively applied to two problems: in quantum mechanics, that of the mass spectrum of elementary particles; in chaotic dynamics, that of the distribution of planets in the Solar System.

  1. High-performance dynamic quantum clustering on graphics processors

    Energy Technology Data Exchange (ETDEWEB)

    Wittek, Peter, E-mail: peterwittek@acm.org [Swedish School of Library and Information Science, University of Boras, Boras (Sweden)

    2013-01-15

    Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schroedinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up to two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.

  2. High-performance dynamic quantum clustering on graphics processors

    International Nuclear Information System (INIS)

    Wittek, Peter

    2013-01-01

    Clustering methods in machine learning may benefit from borrowing metaphors from physics. Dynamic quantum clustering associates a Gaussian wave packet with the multidimensional data points and regards them as eigenfunctions of the Schrödinger equation. The clustering structure emerges by letting the system evolve and the visual nature of the algorithm has been shown to be useful in a range of applications. Furthermore, the method only uses matrix operations, which readily lend themselves to parallelization. In this paper, we develop an implementation on graphics hardware and investigate how this approach can accelerate the computations. We achieve a speedup of up to two magnitudes over a multicore CPU implementation, which proves that quantum-like methods and acceleration by graphics processing units have a great relevance to machine learning.

  3. Infra-red finiteness in quantum electro-dynamics

    International Nuclear Information System (INIS)

    Kawai, Takahiro

    1984-01-01

    The authors report some mathematical aspects of a recent solution of the infra-red catastrophe in quantum electro-dynamics. A principal result is that the coordinate space Feynman function can be separated into two factors the first of which is a unitary operator in photon space representing the classical electro-magnetic contribution to the amplitude, and the second of which is a residual factor representing the quantum fluctuation about the classical contribution. The main objectives were to verify: (i) the residual factor is free of infra-red divergences, and (ii) the dominant part of the singularity of the residual factor on the positive-α Landau surface has the same analytic form as it would have if the photons were massive. (Auth.)

  4. Quantum Dynamics of Test Particle in Curved Space-Time

    International Nuclear Information System (INIS)

    Piechocki, W.

    2002-01-01

    To reveal the nature of space-time singularities of removable type we examine classical and quantum dynamics of a free particle in the Sitter type spacetimes. Consider space-times have different topologies otherwise are isometric. Our systems are integrable and we present analytic solutions of the classical dynamics. We quantize the systems by making use of the group theoretical method: we find an essentially self-adjoint representation of the algebra of observables integrable to the irreducible unitarity representation of the symmetry group of each consider gravitational system. The massless particle dynamics is obtained in the zero-mass limit of the massive case. Global properties of considered gravitational systems are of primary importance for the quantization procedure. Systems of a particle in space-times with removable singularities appear to be quantizable. We give specific proposal for extension of our analysis to space-times with essential type singularities. (author)

  5. 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.

  6. 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

  7. Hydrodynamic theory for quantum plasmonics: Linear-response dynamics of the inhomogeneous electron gas

    DEFF Research Database (Denmark)

    Yan, Wei

    2015-01-01

    We investigate the hydrodynamic theory of metals, offering systematic studies of the linear-response dynamics for an inhomogeneous electron gas. We include the quantum functional terms of the Thomas-Fermi kinetic energy, the von Weizsa¨cker kinetic energy, and the exchange-correlation Coulomb...... energies under the local density approximation. The advantages, limitations, and possible improvements of the hydrodynamic theory are transparently demonstrated. The roles of various parameters in the theory are identified. We anticipate that the hydrodynamic theory can be applied to investigate the linear...... response of complex metallic nanostructures, including quantum effects, by adjusting theory parameters appropriately....

  8. Quantum gases. Observation of many-body dynamics in long-range tunneling after a quantum quench.

    Science.gov (United States)

    Meinert, Florian; Mark, Manfred J; Kirilov, Emil; Lauber, Katharina; Weinmann, Philipp; Gröbner, Michael; Daley, Andrew J; Nägerl, Hanns-Christoph

    2014-06-13

    Quantum tunneling is at the heart of many low-temperature phenomena. In strongly correlated lattice systems, tunneling is responsible for inducing effective interactions, and long-range tunneling substantially alters many-body properties in and out of equilibrium. We observe resonantly enhanced long-range quantum tunneling in one-dimensional Mott-insulating Hubbard chains that are suddenly quenched into a tilted configuration. Higher-order tunneling processes over up to five lattice sites are observed as resonances in the number of doubly occupied sites when the tilt per site is tuned to integer fractions of the Mott gap. This forms a basis for a controlled study of many-body dynamics driven by higher-order tunneling and demonstrates that when some degrees of freedom are frozen out, phenomena that are driven by small-amplitude tunneling terms can still be observed. Copyright © 2014, American Association for the Advancement of Science.

  9. The quantum structure of matter grand challenge project: Large-scale 3-D solutions in relativistic quantum dynamics

    International Nuclear Information System (INIS)

    Wells, J.C.; Oberacker, V.E.; Umar, A.S.

    1993-01-01

    We describe the numerical methods used to solve the time-dependent Dirac equation on a three-dimensional Cartesian lattice. Efficient algorithms are required for computationally intensive studies of nonperturbative relativistic quantum dynamics. Discretization is achieved through the lattice basis-spline collocation method, in which quantum-state vectors and coordinate-space operators are expressed in terms of basis-spline functions on a spatial lattice. All numerical procedures reduce to a series of matrix-vector operations which we perform on the Intel iPSC/860 hypercube, making full use of parallelism. We discuss our solutions to the problems of limited node memory and node-to-node communication overhead inherent in using distributed-memory, multiple-instruction, multiple-data stream parallel computers

  10. Cis-to- Trans Isomerization of Azobenzene Derivatives Studied with Transition Path Sampling and Quantum Mechanical/Molecular Mechanical Molecular Dynamics.

    Science.gov (United States)

    Muždalo, Anja; Saalfrank, Peter; Vreede, Jocelyne; Santer, Mark

    2018-04-10

    Azobenzene-based molecular photoswitches are becoming increasingly important for the development of photoresponsive, functional soft-matter material systems. Upon illumination with light, fast interconversion between a more stable trans and a metastable cis configuration can be established resulting in pronounced changes in conformation, dipole moment or hydrophobicity. A rational design of functional photosensitive molecules with embedded azo moieties requires a thorough understanding of isomerization mechanisms and rates, especially the thermally activated relaxation. For small azo derivatives considered in the gas phase or simple solvents, Eyring's classical transition state theory (TST) approach yields useful predictions for trends in activation energies or corresponding half-life times of the cis isomer. However, TST or improved theories cannot easily be applied when the azo moiety is part of a larger molecular complex or embedded into a heterogeneous environment, where a multitude of possible reaction pathways may exist. In these cases, only the sampling of an ensemble of dynamic reactive trajectories (transition path sampling, TPS) with explicit models of the environment may reveal the nature of the processes involved. In the present work we show how a TPS approach can conveniently be implemented for the phenomenon of relaxation-isomerization of azobenzenes starting with the simple examples of pure azobenzene and a push-pull derivative immersed in a polar (DMSO) and apolar (toluene) solvent. The latter are represented explicitly at a molecular mechanical (MM) and the azo moiety at a quantum mechanical (QM) level. We demonstrate for the push-pull azobenzene that path sampling in combination with the chosen QM/MM scheme produces the expected change in isomerization pathway from inversion to rotation in going from a low to a high permittivity (explicit) solvent model. We discuss the potential of the simulation procedure presented for comparative calculation of

  11. Quantum dynamics of a two-atom-qubit system

    International Nuclear Information System (INIS)

    Nguyen Van Hieu; Nguyen Bich Ha; Le Thi Ha Linh

    2009-01-01

    A physical model of the quantum information exchange between two qubits is studied theoretically. The qubits are two identical two-level atoms, the physical mechanism of the quantum information exchange is the mutual dependence of the reduced density matrices of two qubits generated by their couplings with a multimode radiation field. The Lehmberg-Agarwal master equation is exactly solved. The explicit form of the mutual dependence of two reduced density matrices is established. The application to study the entanglement of two qubits is discussed.

  12. Quantum Gravity, Dynamical Triangulation and Higer Derivative Regularization

    DEFF Research Database (Denmark)

    Ambjorn, J.; Jurkiewicz, J.; Kristjansen, C. F.

    1992-01-01

    We consider a discrete model of euclidean quantum gravity in four dimensions based on a summation over random simplicial manifolds. The action used is the Einstein-Hilbert action plus an $R^2$-term. The phase diagram as a function of the bare coupling constants is studied in the search for a sens......We consider a discrete model of euclidean quantum gravity in four dimensions based on a summation over random simplicial manifolds. The action used is the Einstein-Hilbert action plus an $R^2$-term. The phase diagram as a function of the bare coupling constants is studied in the search...

  13. Formulations of classical and quantum dynamical theory

    CERN Document Server

    Rosen, Gerald

    1969-01-01

    In this book, we study theoretical and practical aspects of computing methods for mathematical modelling of nonlinear systems. A number of computing techniques are considered, such as methods of operator approximation with any given accuracy; operator interpolation techniques including a non-Lagrange interpolation; methods of system representation subject to constraints associated with concepts of causality, memory and stationarity; methods of system representation with an accuracy that is the best within a given class of models; methods of covariance matrix estimation;methods for low-rank

  14. Dynamics and thermodynamics of linear quantum open systems.

    Science.gov (United States)

    Martinez, Esteban A; Paz, Juan Pablo

    2013-03-29

    We analyze the evolution of the quantum state of networks of quantum oscillators coupled with arbitrary external environments. We show that the reduced density matrix of the network always obeys a local master equation with a simple analytical solution. We use this to study the emergence of thermodynamical laws in the long time regime demonstrating two main results: First, we show that it is impossible to build a quantum absorption refrigerator using linear networks (thus, nonlinearity is an essential resource for such refrigerators recently studied by Levy and Kosloff [Phys. Rev. Lett. 108, 070604 (2012)] and Levy et al. [Phys. Rev. B 85, 061126 (2012)]). Then, we show that the third law imposes constraints on the low frequency behavior of the environmental spectral densities.

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

    NARCIS (Netherlands)

    McCormack, D.A.

    2006-01-01

    We investigate the viability of dynamical pruning of localized basis sets in time-dependent quantum wave packet methods. Basis functions that have a very small population at any given time are removed from the active set. The basis functions themselves are time independent, but the set of active

  16. 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.

  17. Understanding quantum measurement from the solution of dynamical models

    Energy Technology Data Exchange (ETDEWEB)

    Allahverdyan, Armen E. [Laboratoire de Physique Statistique et Systèmes Complexes, ISMANS, 44 Av. Bartholdi, 72000 Le Mans (France); Balian, Roger [Institut de Physique Théorique, CEA Saclay, 91191 Gif-sur-Yvette cedex (France); Nieuwenhuizen, Theo M., E-mail: T.M.Nieuwenhuizen@uva.nl [Center for Cosmology and Particle Physics, New York University, 4 Washington Place, New York, NY 10003 (United States)

    2013-04-15

    The quantum measurement problem, to wit, understanding why a unique outcome is obtained in each individual experiment, is currently tackled by solving models. After an introduction we review the many dynamical models proposed over the years for elucidating quantum measurements. The approaches range from standard quantum theory, relying for instance on quantum statistical mechanics or on decoherence, to quantum–classical methods, to consistent histories and to modifications of the theory. Next, a flexible and rather realistic quantum model is introduced, describing the measurement of the z-component of a spin through interaction with a magnetic memory simulated by a Curie–Weiss magnet, including N≫1 spins weakly coupled to a phonon bath. Initially prepared in a metastable paramagnetic state, it may transit to its up or down ferromagnetic state, triggered by its coupling with the tested spin, so that its magnetization acts as a pointer. A detailed solution of the dynamical equations is worked out, exhibiting several time scales. Conditions on the parameters of the model are found, which ensure that the process satisfies all the features of ideal measurements. Various imperfections of the measurement are discussed, as well as attempts of incompatible measurements. The first steps consist in the solution of the Hamiltonian dynamics for the spin-apparatus density matrix D{sup -hat} (t). Its off-diagonal blocks in a basis selected by the spin–pointer coupling, rapidly decay owing to the many degrees of freedom of the pointer. Recurrences are ruled out either by some randomness of that coupling, or by the interaction with the bath. On a longer time scale, the trend towards equilibrium of the magnet produces a final state D{sup -hat} (t{sub f}) that involves correlations between the system and the indications of the pointer, thus ensuring registration. Although D{sup -hat} (t{sub f}) has the form expected for ideal measurements, it only describes a large set of

  18. Finite difference evolution equations and quantum dynamical semigroups

    International Nuclear Information System (INIS)

    Ghirardi, G.C.; Weber, T.

    1983-12-01

    We consider the recently proposed [Bonifacio, Lett. Nuovo Cimento, 37, 481 (1983)] coarse grained description of time evolution for the density operator rho(t) through a finite difference equation with steps tau, and we prove that there exists a generator of the quantum dynamical semigroup type yielding an equation giving a continuous evolution coinciding at all time steps with the one induced by the coarse grained description. The map rho(0)→rho(t) derived in this way takes the standard form originally proposed by Lindblad [Comm. Math. Phys., 48, 119 (1976)], even when the map itself (and, therefore, the corresponding generator) is not bounded. (author)

  19. Thermo field dynamics: a quantum field theory at finite temperature

    International Nuclear Information System (INIS)

    Mancini, F.; Marinaro, M.; Matsumoto, H.

    1988-01-01

    A brief review of the theory of thermo field dynamics (TFD) is presented. TFD is introduced and developed by Umezawa and his coworkers at finite temperature. The most significant concept in TFD is that of a thermal vacuum which satisfies some conditions denoted as thermal state conditions. The TFD permits to reformulate theories at finite temperature. There is no need in an additional principle to determine particle distributions at T ≠ 0. Temperature and other macroscopic parameters are introduced in the definition of the vacuum state. All operator formalisms used in quantum field theory at T=0 are preserved, although the field degrees of freedom are doubled. 8 refs

  20. Non-Markovian dynamics of charge carriers in quantum dots

    International Nuclear Information System (INIS)

    Vaz, E; Kyriakidis, J

    2008-01-01

    We have investigated the dynamics of bound particles in multilevel current-carrying quantum dots. We look specifically in the regime of resonant tunnelling transport, where several channels are available for transport. Through a non-Markovian formalism under the Born approximation, we investigate the real-time evolution of the confined particles including transport-induced decoherence and relaxation. In the case of a coherent superposition between states with different particle number, we find that a Fock-space coherence may be preserved even in the presence of tunneling into and out of the dot. Real-time results are presented for various asymmetries of tunneling rates into different orbitals

  1. Instability and dynamics of two nonlinearly coupled intense laser beams in a quantum plasma

    International Nuclear Information System (INIS)

    Wang Yunliang; Shukla, P. K.; Eliasson, B.

    2013-01-01

    We consider nonlinear interactions between two relativistically strong laser beams and a quantum plasma composed of degenerate electron fluids and immobile ions. The collective behavior of degenerate electrons is modeled by quantum hydrodynamic equations composed of the electron continuity, quantum electron momentum (QEM) equation, as well as the Poisson and Maxwell equations. The QEM equation accounts the quantum statistical electron pressure, the quantum electron recoil due to electron tunneling through the quantum Bohm potential, electron-exchange, and electron-correlation effects caused by electron spin, and relativistic ponderomotive forces (RPFs) of two circularly polarized electromagnetic (CPEM) beams. The dynamics of the latter are governed by nonlinear wave equations that include nonlinear currents arising from the relativistic electron mass increase in the CPEM wave fields, as well as from the beating of the electron quiver velocity and electron density variations reinforced by the RPFs of the two CPEM waves. Furthermore, nonlinear electron density variations associated with the driven (by the RPFs) quantum electron plasma oscillations obey a coupled nonlinear Schrödinger and Poisson equations. The nonlinearly coupled equations for our purposes are then used to obtain a general dispersion relation (GDR) for studying the parametric instabilities and the localization of CPEM wave packets in a quantum plasma. Numerical analyses of the GDR reveal that the growth rate of a fastest growing parametrically unstable mode is in agreement with the result that has been deduced from numerical simulations of the governing nonlinear equations. Explicit numerical results for two-dimensional (2D) localized CPEM wave packets at nanoscales are also presented. Possible applications of our investigation to intense laser-solid density compressed plasma experiments are highlighted.

  2. Wigner's dynamical transition state theory in phase space: classical and quantum

    International Nuclear Information System (INIS)

    Waalkens, Holger; Schubert, Roman; Wiggins, Stephen

    2008-01-01

    We develop Wigner's approach to a dynamical transition state theory in phase space in both the classical and quantum mechanical settings. The key to our development is the construction of a normal form for describing the dynamics in the neighbourhood of a specific type of saddle point that governs the evolution from reactants to products in high dimensional systems. In the classical case this is the standard Poincaré–Birkhoff normal form. In the quantum case we develop a normal form based on the Weyl calculus and an explicit algorithm for computing this quantum normal form. The classical normal form allows us to discover and compute the phase space structures that govern classical reaction dynamics. From this knowledge we are able to provide a direct construction of an energy dependent dividing surface in phase space having the properties that trajectories do not locally 're-cross' the surface and the directional flux across the surface is minimal. Using this, we are able to give a formula for the directional flux through the dividing surface that goes beyond the harmonic approximation. We relate this construction to the flux–flux autocorrelation function which is a standard ingredient in the expression for the reaction rate in the chemistry community. We also give a classical mechanical interpretation of the activated complex as a normally hyperbolic invariant manifold (NHIM), and further describe the structure of the NHIM. The quantum normal form provides us with an efficient algorithm to compute quantum reaction rates and we relate this algorithm to the quantum version of the flux–flux autocorrelation function formalism. The significance of the classical phase space structures for the quantum mechanics of reactions is elucidated by studying the phase space distribution of scattering states. The quantum normal form also provides an efficient way of computing Gamov–Siegert resonances. We relate these resonances to the lifetimes of the quantum activated

  3. Quantum mean-field theory of collective dynamics and tunneling

    International Nuclear Information System (INIS)

    Negele, J.W.

    1981-01-01

    A fundamental problem in quantum many-body theory is formulation of a microscopic theory of collective motion. For self-bound, saturating systems like finite nuclei described in the context of nonrelativistic quantum mechanics with static interactions, the essential problem is how to formulate a systematic quantal theory in which the relevant collective variables and their dynamics arise directly and naturally from the Hamiltonian and the system under consideration. Significant progress has been made recently in formulating the quantum many-body problem in terms of an expansion about solutions to time-dependent mean-field equations. The essential ideas, principal results, and illustrative examples are summarized. An exact expression for an observable of interest is written using a functional integral representation for the evolution operator, and tractable time-dependent mean field equations are obtained by application of the stationary-phase approximation (SPA) to the functional integral. Corrections to the lowest-order theory may be systematically enumerated. 6 figures

  4. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan

    2016-03-14

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  5. Coherent quantum dynamics of excitons in monolayer transition metal dichalcogenides

    KAUST Repository

    Moody, Galan; Hao, Kai; Dass, Chandriker Kavir; Singh, Akshay; Xu, Lixiang; Tran, Kha; Chen, Chang-Hsiao; Li, Ming-yang; Li, Lain-Jong; Clark, Genevieve; Bergh ä user, Gunnar; Malic, Ermin; Knorr, Andreas; Xu, Xiaodong; Li, Xiaoqin

    2016-01-01

    Transition metal dichalcogenides (TMDs) have garnered considerable interest in recent years owing to their layer thickness-dependent optoelectronic properties. In monolayer TMDs, the large carrier effective masses, strong quantum confinement, and reduced dielectric screening lead to pronounced exciton resonances with remarkably large binding energies and coupled spin and valley degrees of freedom (valley excitons). Coherent control of valley excitons for atomically thin optoelectronics and valleytronics requires understanding and quantifying sources of exciton decoherence. In this work, we reveal how exciton-exciton and exciton-phonon scattering influence the coherent quantum dynamics of valley excitons in monolayer TMDs, specifically tungsten diselenide (WSe2), using two-dimensional coherent spectroscopy. Excitation-density and temperature dependent measurements of the homogeneous linewidth (inversely proportional to the optical coherence time) reveal that exciton-exciton and exciton-phonon interactions are significantly stronger compared to quasi-2D quantum wells and 3D bulk materials. The residual homogeneous linewidth extrapolated to zero excitation density and temperature is ~1:6 meV (equivalent to a coherence time of 0.4 ps), which is limited only by the population recombination lifetime in this sample. © (2016) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  6. Theory and simulation of cavity quantum electro-dynamics in multi-partite quantum complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Alidoosty Shahraki, Moslem; Khorasani, Sina; Aram, Mohammad Hasan [Sharif University of Technology, School of Electrical Engineering, Tehran (Iran, Islamic Republic of)

    2014-05-15

    The cavity quantum electrodynamics of various complex systems is here analyzed using a general versatile code developed in this research. Such quantum multi-partite systems normally consist of an arbitrary number of quantum dots in interaction with an arbitrary number of cavity modes. As an example, a nine-partition system is simulated under different coupling regimes, consisting of eight emitters interacting with one cavity mode. Two-level emitters (e.g. quantum dots) are assumed to have an arrangement in the form of a linear chain, defining the mutual dipole-dipole interactions. It was observed that plotting the system trajectory in the phase space reveals a chaotic behavior in the so-called ultrastrong-coupling regime. This result is mathematically confirmed by detailed calculation of the Kolmogorov entropy, as a measure of chaotic behavior. In order to study the computational complexity of our code, various multi-partite systems consisting of one to eight quantum dots in interaction with one cavity mode were solved individually. Computation run times and the allocated memory for each system were measured. (orig.)

  7. Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.

    Science.gov (United States)

    Kelly, Aaron; Brackbill, Nora; Markland, Thomas E

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  8. Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations

    Energy Technology Data Exchange (ETDEWEB)

    Kelly, Aaron; Markland, Thomas E., E-mail: tmarkland@stanford.edu [Department of Chemistry, Stanford University, Stanford, California 94305 (United States); Brackbill, Nora [Department of Physics, Stanford University, Stanford, California 94305 (United States)

    2015-03-07

    In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.

  9. Atomic physics and quantum optics using superconducting circuits: from the Dynamical Casimir effect to Majorana fermions

    Science.gov (United States)

    Nori, Franco

    2012-02-01

    This talk will present an overview of some of our recent results on atomic physics and quantum optics using superconducting circuits. Particular emphasis will be given to photons interacting with qubits, interferometry, the Dynamical Casimir effect, and also studying Majorana fermions using superconducting circuits.[4pt] References available online at our web site:[0pt] J.Q. You, Z.D. Wang, W. Zhang, F. Nori, Manipulating and probing Majorana fermions using superconducting circuits, (2011). Arxiv. J.R. Johansson, G. Johansson, C.M. Wilson, F. Nori, Dynamical Casimir effect in a superconducting coplanar waveguide, Phys. Rev. Lett. 103, 147003 (2009). [0pt] J.R. Johansson, G. Johansson, C.M. Wilson, F. Nori, Dynamical Casimir effect in superconducting microwave circuits, Phys. Rev. A 82, 052509 (2010). [0pt] C.M. Wilson, G. Johansson, A. Pourkabirian, J.R. Johansson, T. Duty, F. Nori, P. Delsing, Observation of the Dynamical Casimir Effect in a superconducting circuit. Nature, in press (Nov. 2011). P.D. Nation, J.R. Johansson, M.P. Blencowe, F. Nori, Stimulating uncertainty: Amplifying the quantum vacuum with superconducting circuits, Rev. Mod. Phys., in press (2011). [0pt] J.Q. You, F. Nori, Atomic physics and quantum optics using superconducting circuits, Nature 474, 589 (2011). [0pt] S.N. Shevchenko, S. Ashhab, F. Nori, Landau-Zener-Stuckelberg interferometry, Phys. Reports 492, 1 (2010). [0pt] I. Buluta, S. Ashhab, F. Nori. Natural and artificial atoms for quantum computation, Reports on Progress in Physics 74, 104401 (2011). [0pt] I.Buluta, F. Nori, Quantum Simulators, Science 326, 108 (2009). [0pt] L.F. Wei, K. Maruyama, X.B. Wang, J.Q. You, F. Nori, Testing quantum contextuality with macroscopic superconducting circuits, Phys. Rev. B 81, 174513 (2010). [0pt] J.Q. You, X.-F. Shi, X. Hu, F. Nori, Quantum emulation of a spin system with topologically protected ground states using superconducting quantum circuit, Phys. Rev. A 81, 063823 (2010).

  10. 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)

  11. Quantum mechanical simulation methods for studying biological systems

    International Nuclear Information System (INIS)

    Bicout, D.; Field, M.

    1996-01-01

    Most known biological mechanisms can be explained using fundamental laws of physics and chemistry and a full understanding of biological processes requires a multidisciplinary approach in which all the tools of biology, chemistry and physics are employed. An area of research becoming increasingly important is the theoretical study of biological macromolecules where numerical experimentation plays a double role of establishing a link between theoretical models and predictions and allowing a quantitative comparison between experiments and models. This workshop brought researchers working on different aspects of the development and application of quantum mechanical simulation together, assessed the state-of-the-art in the field and highlighted directions for future research. Fourteen lectures (theoretical courses and specialized seminars) deal with following themes: 1) quantum mechanical calculations of large systems, 2) ab initio molecular dynamics where the calculation of the wavefunction and hence the energy and forces on the atoms for a system at a single nuclear configuration are combined with classical molecular dynamics algorithms in order to perform simulations which use a quantum mechanical potential energy surface, 3) quantum dynamical simulations, electron and proton transfer processes in proteins and in solutions and finally, 4) free seminars that helped to enlarge the scope of the workshop. (N.T.)

  12. Large scale exact quantum dynamics calculations: Ten thousand quantum states of acetonitrile

    Science.gov (United States)

    Halverson, Thomas; Poirier, Bill

    2015-03-01

    'Exact' quantum dynamics (EQD) calculations of the vibrational spectrum of acetonitrile (CH3CN) are performed, using two different methods: (1) phase-space-truncated momentum-symmetrized Gaussian basis and (2) correlated truncated harmonic oscillator basis. In both cases, a simple classical phase space picture is used to optimize the selection of individual basis functions-leading to drastic reductions in basis size, in comparison with existing methods. Massive parallelization is also employed. Together, these tools-implemented into a single, easy-to-use computer code-enable a calculation of tens of thousands of vibrational states of CH3CN to an accuracy of 0.001-10 cm-1.

  13. Dynamic Trap Formation and Elimination in Colloidal Quantum Dots

    KAUST Repository

    Voznyy, O.

    2013-03-21

    Using first-principles simulations on PbS and CdSe colloidal quantum dots, we find that surface defects form in response to electronic doping and charging of the nanoparticles. We show that electronic trap states in nanocrystals are dynamic entities, in contrast with the conventional picture wherein traps are viewed as stable electronic states that can be filled or emptied, but not created or destroyed. These traps arise from the formation or breaking of atomic dimers at the nanoparticle surface. The dimers\\' energy levels can reside within the bandgap, in which case a trap is formed. Fortunately, we are also able to identify a number of shallow-electron-affinity cations that stabilize the surface, working to counter dynamic trap formation and allowing for trap-free doping. © 2013 American Chemical Society.

  14. Dynamic Trap Formation and Elimination in Colloidal Quantum Dots

    KAUST Repository

    Voznyy, O.; Thon, S. M.; Ip, A. H.; Sargent, E. H.

    2013-01-01

    Using first-principles simulations on PbS and CdSe colloidal quantum dots, we find that surface defects form in response to electronic doping and charging of the nanoparticles. We show that electronic trap states in nanocrystals are dynamic entities, in contrast with the conventional picture wherein traps are viewed as stable electronic states that can be filled or emptied, but not created or destroyed. These traps arise from the formation or breaking of atomic dimers at the nanoparticle surface. The dimers' energy levels can reside within the bandgap, in which case a trap is formed. Fortunately, we are also able to identify a number of shallow-electron-affinity cations that stabilize the surface, working to counter dynamic trap formation and allowing for trap-free doping. © 2013 American Chemical Society.

  15. Role of quantum statistics in multi-particle decay dynamics

    Science.gov (United States)

    Marchewka, Avi; Granot, Er'el

    2015-04-01

    The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.

  16. Role of quantum statistics in multi-particle decay dynamics

    International Nuclear Information System (INIS)

    Marchewka, Avi; Granot, Er’el

    2015-01-01

    The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested

  17. Role of quantum statistics in multi-particle decay dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Marchewka, Avi, E-mail: avi.marchewka@gmail.com [Galei Tchelet St 8 Herzliya (Israel); Granot, Er’el [Department of Electrical and Electronics Engineering, Ariel University, Ariel (Israel)

    2015-04-15

    The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.

  18. Information dynamics and open systems classical and quantum approach

    CERN Document Server

    Ingarden, R S; Ohya, M

    1997-01-01

    This book aims to present an information-theoretical approach to thermodynamics and its generalisations On the one hand, it generalises the concept of `information thermodynamics' to that of `information dynamics' in order to stress applications outside thermal phenomena On the other hand, it is a synthesis of the dynamics of state change and the theory of complexity, which provide a common framework to treat both physical and nonphysical systems together Both classical and quantum systems are discussed, and two appendices are included to explain principal definitions and some important aspects of the theory of Hilbert spaces and operator algebras The concept of higher-order temperatures is explained and applied to biological and linguistic systems The theory of open systems is presented in a new, much more general form Audience This volume is intended mainly for theoretical and mathematical physicists, but also for mathematicians, experimental physicists, physical chemists, theoretical biologists, communicat...

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

    Directory of Open Access Journals (Sweden)

    J. Schachenmayer

    2015-02-01

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

  20. 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

  1. Hardware for dynamic quantum computing experiments: Part I

    Science.gov (United States)

    Johnson, Blake; Ryan, Colm; Riste, Diego; Donovan, Brian; Ohki, Thomas

    Static, pre-defined control sequences routinely achieve high-fidelity operation on superconducting quantum processors. Efforts toward dynamic experiments depending on real-time information have mostly proceeded through hardware duplication and triggers, requiring a combinatorial explosion in the number of channels. We provide a hardware efficient solution to dynamic control with a complete platform of specialized FPGA-based control and readout electronics; these components enable arbitrary control flow, low-latency feedback and/or feedforward, and scale far beyond single-qubit control and measurement. We will introduce the BBN Arbitrary Pulse Sequencer 2 (APS2) control system and the X6 QDSP readout platform. The BBN APS2 features: a sequencer built around implementing short quantum gates, a sequence cache to allow long sequences with branching structures, subroutines for code re-use, and a trigger distribution module to capture and distribute steering information. The X6 QDSP features a single-stage DSP pipeline that combines demodulation with arbitrary integration kernels, and multiple taps to inspect data flow for debugging and calibration. We will show system performance when putting it all together, including a latency budget for feedforward operations. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), through the Army Research Office Contract No. W911NF-10-1-0324.

  2. Classical and quantum dynamics of driven elliptical billiards

    Energy Technology Data Exchange (ETDEWEB)

    Lenz, Florian

    2009-12-09

    Subject of this thesis is the investigation of the classical dynamics of the driven elliptical billiard and the development of a numerical method allowing the propagation of arbitrary initial states in the quantum version of the system. In the classical case, we demonstrate that there is Fermi acceleration in the driven billiard. The corresponding transport process in momentum space shows a surprising crossover from sub- to normal diffusion. This crossover is not parameter induced, but rather occurs dynamically in the evolution of the ensemble. The four-dimensional phase space is analyzed in depth, especially how its composition changes in different velocity regimes. We show that the stickiness properties, which eventually determine the diffusion, are intimately connected with this change of the composition of the phase space with respect to velocity. In the course of the evolution, the accelerating ensemble thus explores regions of varying stickiness, leading to the mentioned crossover in the diffusion. In the quantum case, a series of transformations tailored to the elliptical billiard is applied to circumvent the time-dependent Dirichlet boundary conditions. By means of an expansion ansatz, this eventually yields a large system of coupled ordinary differential equations, which can be solved by standard techniques. (orig.)

  3. Classical and quantum dynamics of driven elliptical billiards

    International Nuclear Information System (INIS)

    Lenz, Florian

    2009-01-01

    Subject of this thesis is the investigation of the classical dynamics of the driven elliptical billiard and the development of a numerical method allowing the propagation of arbitrary initial states in the quantum version of the system. In the classical case, we demonstrate that there is Fermi acceleration in the driven billiard. The corresponding transport process in momentum space shows a surprising crossover from sub- to normal diffusion. This crossover is not parameter induced, but rather occurs dynamically in the evolution of the ensemble. The four-dimensional phase space is analyzed in depth, especially how its composition changes in different velocity regimes. We show that the stickiness properties, which eventually determine the diffusion, are intimately connected with this change of the composition of the phase space with respect to velocity. In the course of the evolution, the accelerating ensemble thus explores regions of varying stickiness, leading to the mentioned crossover in the diffusion. In the quantum case, a series of transformations tailored to the elliptical billiard is applied to circumvent the time-dependent Dirichlet boundary conditions. By means of an expansion ansatz, this eventually yields a large system of coupled ordinary differential equations, which can be solved by standard techniques. (orig.)

  4. A new time-frequency method to reveal quantum dynamics of atomic hydrogen in intense laser pulses: Synchrosqueezing transform

    International Nuclear Information System (INIS)

    Sheu, Yae-lin; Hsu, Liang-Yan; Wu, Hau-tieng; Li, Peng-Cheng; Chu, Shih-I

    2014-01-01

    This study introduces a new adaptive time-frequency (TF) analysis technique, the synchrosqueezing transform (SST), to explore the dynamics of a laser-driven hydrogen atom at an ab initio level, upon which we have demonstrated its versatility as a new viable venue for further exploring quantum dynamics. For a signal composed of oscillatory components which can be characterized by instantaneous frequency, the SST enables rendering the decomposed signal based on the phase information inherited in the linear TF representation with mathematical support. Compared with the classical type of TF methods, the SST clearly depicts several intrinsic quantum dynamical processes such as selection rules, AC Stark effects, and high harmonic generation

  5. 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.

  6. Simulation of Quantum Many-Body Dynamics for Generic Strongly-Interacting Systems

    Science.gov (United States)

    Meyer, Gregory; Machado, Francisco; Yao, Norman

    2017-04-01

    Recent experimental advances have enabled the bottom-up assembly of complex, strongly interacting quantum many-body systems from individual atoms, ions, molecules and photons. These advances open the door to studying dynamics in isolated quantum systems as well as the possibility of realizing novel out-of-equilibrium phases of matter. Numerical studies provide insight into these systems; however, computational time and memory usage limit common numerical methods such as exact diagonalization to relatively small Hilbert spaces of dimension 215 . Here we present progress toward a new software package for dynamical time evolution of large generic quantum systems on massively parallel computing architectures. By projecting large sparse Hamiltonians into a much smaller Krylov subspace, we are able to compute the evolution of strongly interacting systems with Hilbert space dimension nearing 230. We discuss and benchmark different design implementations, such as matrix-free methods and GPU based calculations, using both pre-thermal time crystals and the Sachdev-Ye-Kitaev model as examples. We also include a simple symbolic language to describe generic Hamiltonians, allowing simulation of diverse quantum systems without any modification of the underlying C and Fortran code.

  7. Nonequilibrium dynamics of moving mirrors in quantum fields: Influence functional and the Langevin equation

    International Nuclear Information System (INIS)

    Wu, C.-H.; Lee, D.-S.

    2005-01-01

    We employ the Schwinger-Keldysh formalism to study the nonequilibrium dynamics of the mirror with perfect reflection moving in a quantum field. In the case where the mirror undergoes the small displacement, the coarse-grained effective action is obtained by integrating out the quantum field with the method of influence functional. The semiclassical Langevin equation is derived, and is found to involve two levels of backreaction effects on the dynamics of mirrors: radiation reaction induced by the motion of the mirror and backreaction dissipation arising from fluctuations in quantum field via a fluctuation-dissipation relation. Although the corresponding theorem of fluctuation and dissipation for the case with the small mirror's displacement is of model independence, the study from the first principles derivation shows that the theorem is also independent of the regulators introduced to deal with short-distance divergences from the quantum field. Thus, when the method of regularization is introduced to compute the dissipation and fluctuation effects, this theorem must be fulfilled as the results are obtained by taking the short-distance limit in the end of calculations. The backreaction effects from vacuum fluctuations on moving mirrors are found to be hardly detected while those effects from thermal fluctuations may be detectable

  8. Computational strong-field quantum dynamics. Intense light-matter interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Dieter (ed.) [Rostock Univ. (Germany). Inst. fuer Physik

    2017-09-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  9. Computational strong-field quantum dynamics. Intense light-matter interactions

    International Nuclear Information System (INIS)

    Bauer, Dieter

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time dependent Schroedinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  10. Dynamical Mass Generation and Confinement in Maxwell-Chern-Simons Planar Quantum Electrodynamics

    International Nuclear Information System (INIS)

    Sanchez Madrigal, S; Raya, A; Hofmann, C P

    2011-01-01

    We study the non-perturbative phenomena of Dynamical Mass Generation and Confinement by truncating at the non-perturbative level the Schwinger-Dyson equations in Maxwell-Chern-Simons planar quantum electrodynamics. We obtain numerical solutions for the fermion propagator in Landau gauge within the so-called rainbow approximation. A comparison with the ordinary theory without the Chern-Simons term is presented.

  11. Computational strong-field quantum dynamics intense light-matter interactions

    CERN Document Server

    2017-01-01

    This graduate textbook introduces the computational techniques to study ultra-fast quantum dynamics of matter exposed to strong laser fields. Coverage includes methods to propagate wavefunctions according to the time-dependent Schrödinger, Klein-Gordon or Dirac equation, the calculation of typical observables, time-dependent density functional theory, multi-configurational time-dependent Hartree-Fock, time-dependent configuration interaction singles, the strong-field approximation, and the microscopic particle-in-cell approach.

  12. Quantum Dynamical Behaviour in Complex Systems - A Semiclassical Approach

    Energy Technology Data Exchange (ETDEWEB)

    Ananth, Nandini [Univ. of California, Berkeley, CA (United States)

    2008-01-01

    One of the biggest challenges in Chemical Dynamics is describing the behavior of complex systems accurately. Classical MD simulations have evolved to a point where calculations involving thousands of atoms are routinely carried out. Capturing coherence, tunneling and other such quantum effects for these systems, however, has proven considerably harder. Semiclassical methods such as the Initial Value Representation (SC-IVR) provide a practical way to include quantum effects while still utilizing only classical trajectory information. For smaller systems, this method has been proven to be most effective, encouraging the hope that it can be extended to deal with a large number of degrees of freedom. Several variations upon the original idea of the SCIVR have been developed to help make these larger calculations more tractable; these range from the simplest, classical limit form, the Linearized IVR (LSC-IVR) to the quantum limit form, the Exact Forward-Backward version (EFB-IVR). In this thesis a method to tune between these limits is described which allows us to choose exactly which degrees of freedom we wish to treat in a more quantum mechanical fashion and to what extent. This formulation is called the Tuning IVR (TIVR). We further describe methodology being developed to evaluate the prefactor term that appears in the IVR formalism. The regular prefactor is composed of the Monodromy matrices (jacobians of the transformation from initial to finial coordinates and momenta) which are time evolved using the Hessian. Standard MD simulations require the potential surfaces and their gradients, but very rarely is there any information on the second derivative. We would like to be able to carry out the SC-IVR calculation without this information too. With this in mind a finite difference scheme to obtain the Hessian on-the-fly is proposed. Wealso apply the IVR formalism to a few problems of current interest. A method to obtain energy eigenvalues accurately for complex

  13. On quantum effects in the dynamics of macroscopic test masses

    International Nuclear Information System (INIS)

    Mueller-Ebhardt, Helge

    2009-01-01

    This thesis provides theoretically a link between the increase of the sensitivity of gravitational-wave detectors and the possibility of preparing macroscopic quantum states in such detectors. In the first part of this thesis, we theoretically explore the quantum measurement noise of an optical speed meter topology, the Sagnac interferometer, equipped with an additional detuned cavity at the output port. This detuned signal-recycling technique was already investigated when applying it to a Michelson interferometer and is used in the gravitational-wave detector GEO600. Together with the quantum noise analysis of the simple Sagnac interferometer, it is the basis of our study: we optimize the Sagnac interferometer's sensitivity towards the detection of a certain gravitational-wave source in the vicinity of a realistic classical noise environment. Motivated by the fact that the Michelson interferometer, as a position meter, with detuned signal-recycling can transduce the gravitational-wave strain into real mirror motion, we compare the transducer effect in a speed and in a position meter. Furthermore, we theoretically investigate the conditional output squeezing of a cavity which is detuned with respect to its carrier and its subcarrier. Therewith we pursue the theoretical analysis of the ponderomotive squeezer. With the knowledge gained in the first part about the quantum measurement process in laser interferometers, the second part of this thesis comprises a theoretical analysis of the conditonal state in positon and momentum of the interferometer's test masses. We motivate not to obtain the conditional states from a stochastic master equation but with the help of the so-called Wiener filtering method. Using this method, we calculate the most general expression for the conditional covariance matrix of the Gaussian state of a test mass under any linear Markovian measurement process. Then we specify to the interferometry and theoretically show under which circumstances

  14. Reconstructing a nonlinear dynamical framework for testing quantum mechanics

    International Nuclear Information System (INIS)

    Jordan, T.F.

    1993-01-01

    The nonlinear generalization of quantum dynamics constructed by Weinberg as a basis for experimental tests is reconstructed in terms of density-matrix elements to allow independent dynamics for subsystems. Dynamics is generated with a Lie bracket and a nonlinear Hamiltonian function. It takes density matrices to density matrices and pure states to pure states. Each density matrix has a Hamiltonian operator that makes its evolution for an infinitesimal time, but the Hamiltonian operator may be different for different density matrices and may change in time as the density matrix changes. A Hamiltonian function for a subsystem serves also for the entire system. Independence of separate subsystems is confirmed by seeing that brackets are zero for functions from different subsystems and by looking at the Hamiltonian operator for each density matrix. Scaling properties of Hamiltonian functions are found to be important in connection with locality. An example of all this is obtained from every one of the local nonlinear Schroedinger equations described by Bialynicki-Birula and Mycielski. Examples are worked out for spins coupled together or to fields, demonstrating Hamiltonian functions and equations of motion written directly in terms of physical mean values. Observables and states are taken to be the same as in ordinary quantum mechanics. An attempt to find nonlinear representations of observables by characterizing propositions as functions equal to their squares yields a negative result. Sharper interpretation of mixed states is proposed. In a mixture of parts that are prepared separately, time dependence must be calculated separately for each part so different mixtures that yield the same density matrix can be distinguished. No criticism has shown that a consistent interpretation cannot be made this way. Thus, nonlinearity remains a viable hypothesis for experimental tests. 16 refs

  15. Ultrafast dynamics of type-II GaSb/GaAs quantum dots

    International Nuclear Information System (INIS)

    Komolibus, K.; Piwonski, T.; Gradkowski, K.; Reyner, C. J.; Liang, B.; Huffaker, D. L.; Huyet, G.; Houlihan, J.

    2015-01-01

    In this paper, room temperature two-colour pump-probe spectroscopy is employed to study ultrafast carrier dynamics in type-II GaSb/GaAs quantum dots. Our results demonstrate a strong dependency of carrier capture/escape processes on applied reverse bias voltage, probing wavelength and number of injected carriers. The extracted timescales as a function of both forward and reverse bias may provide important information for the design of efficient solar cells and quantum dot memories based on this material. The first few picoseconds of the dynamics reveal a complex behaviour with an interesting feature, which does not appear in devices based on type-I materials, and hence is linked to the unique carrier capture/escape processes possible in type-II structures

  16. Dynamics of Entropy in Quantum-like Model of Decision Making

    Science.gov (United States)

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

    2011-03-01

    We present a quantum-like model of decision making in games of the Prisoner's Dilemma type. By this model the brain processes information by using representation of mental states in complex Hilbert space. Driven by the master equation the mental state of a player, say Alice, approaches an equilibrium point in the space of density matrices. By using this equilibrium point Alice determines her mixed (i.e., probabilistic) strategy with respect to Bob. Thus our model is a model of thinking through decoherence of initially pure mental state. Decoherence is induced by interaction with memory and external environment. In this paper we study (numerically) dynamics of quantum entropy of Alice's state in the process of decision making. Our analysis demonstrates that this dynamics depends nontrivially on the initial state of Alice's mind on her own actions and her prediction state (for possible actions of Bob.)

  17. Dynamical entanglement formation and dissipation effects in two double quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Contreras-Pulido, L D [Centro de Investigacion CientIfica y de Educacion Superior de Ensenada, Apartado Postal 2732, Ensenada, BC 22860 (Mexico); Rojas, F [Departamento de Fisica Teorica, Centro de Ciencias de la Materia Condensada, Universidad Nacional Autonoma de Mexico, Ensenada, Baja California 22800 (Mexico)

    2006-11-01

    We study the static and dynamic formation of entanglement in charge states of a two double quantum dot array with two mobile electrons under the effect of an external driving field. We include dissipation via contact with a phonon bath. By using the density matrix formalism and an open quantum system approach, we describe the dynamical behaviour of the charge distribution (polarization), concurrence (measure of the degree of entanglement) and Bell state probabilities (two qubit states with maximum entanglement) of such a system, including the role of dot asymmetry and temperature effects. Our results show that it is possible to obtain entangled states as well as a most probable Bell state, which can be controlled by the driving field. We also evaluate how the entanglement formation based on charge states deteriorates as the temperature or asymmetry increases.

  18. Automatic generation of active coordinates for quantum dynamics calculations: Application to the dynamics of benzene photochemistry

    International Nuclear Information System (INIS)

    Lasorne, Benjamin; Sicilia, Fabrizio; Bearpark, Michael J.; Robb, Michael A.; Worth, Graham A.; Blancafort, Lluis

    2008-01-01

    A new practical method to generate a subspace of active coordinates for quantum dynamics calculations is presented. These reduced coordinates are obtained as the normal modes of an analytical quadratic representation of the energy difference between excited and ground states within the complete active space self-consistent field method. At the Franck-Condon point, the largest negative eigenvalues of this Hessian correspond to the photoactive modes: those that reduce the energy difference and lead to the conical intersection; eigenvalues close to 0 correspond to bath modes, while modes with large positive eigenvalues are photoinactive vibrations, which increase the energy difference. The efficacy of quantum dynamics run in the subspace of the photoactive modes is illustrated with the photochemistry of benzene, where theoretical simulations are designed to assist optimal control experiments

  19. PREFACE: Fourth Meeting on Constrained Dynamics and Quantum Gravity

    Science.gov (United States)

    Cadoni, Mariano; Cavaglia, Marco; Nelson, Jeanette E.

    2006-04-01

    The formulation of a quantum theory of gravity seems to be the unavoidable endpoint of modern theoretical physics. Yet the quantum description of the gravitational field remains elusive. The year 2005 marks the tenth anniversary of the First Meeting on Constrained Dynamics and Quantum Gravity, held in Dubna (Russia) due to the efforts of Alexandre T. Filippov (JINR, Dubna) and Vittorio de Alfaro (University of Torino, Italy). At the heart of this initiative was the desire for an international forum where the status and perspectives of research in quantum gravity could be discussed from the broader viewpoint of modern gauge field theories. Since the Dubna meeting, an increasing number of scientists has joined this quest. Progress was reported in two other conferences in this series: in Santa Margherita Ligure (Italy) in 1996 and in Villasimius (Sardinia, Italy) in 1999. After a few years of ``working silence'' the time was now mature for a new gathering. The Fourth Meeting on Constrained Dynamics and Quantum Gravity (QG05) was held in Cala Gonone (Sardinia, Italy) from Monday 12th to Friday 16th September 2005. Surrounded by beautiful scenery, 100 scientists from 23 countries working in field theory, general relativity and related areas discussed the latest developments in the quantum treatment of gravitational systems. The QG05 edition covered many of the issues that had been addressed in the previous meetings and new interesting developments in the field, such as brane world models, large extra dimensions, analogue models of gravity, non-commutative techniques etc. The format of the meeting was similar to the previous ones. The programme consisted of invited plenary talks and parallel sessions on cosmology, quantum gravity, strings and phenomenology, gauge theories and quantisation and black holes. A major goal was to bring together senior scientists and younger people at the beginning of their scientific career. We were able to give financial support to both

  20. Quantum Many-Body Dynamics with Driven Bose Condensates: Kibble-Zurek Mechanism and Bose Fireworks

    Science.gov (United States)

    Clark, Logan William

    In recent years there has been an explosion of interest in the field of quantum many-body physics. Understanding the complex and often unintuitive behavior of systems containing interacting quantum constituents is not only fascinating but also crucial for developing the next generation of quantum technology, including better materials, sensors, and computers. Yet understanding such systems remains a challenge, particularly when considering the dynamics which occur when they are excited far from equilibrium. Ultracold atomic gases provide an ideal system with which to study dynamics by enabling clean, well-controlled experiments at length- and time-scales which allow us to observe the dynamics directly. This thesis describes experiments on the many-body dynamics of ultracold, bosonic cesium atoms. Our apparatus epitomizes the versatility of ultracold atoms by providing extensive control over the quantum gas. In particular, we will discuss our use of a digital micromirror device to project arbitrary, dynamic external potentials onto the gas; our development of a powerful new scheme for optically controlling Feshbach resonances to enable spatiotemporal control of the interactions between atoms; and our use of near-resonant shaking lattices to modify the kinetic energy of atoms. Taking advantage of this flexible apparatus, we have been able to test a longstanding conjecture based on the Kibble-Zurek mechanism, which says that the dynamics of a system crossing a quantum phase transition should obey a universal scaling symmetry of space and time. After accounting for this scaling symmetry, critical dynamics would be essentially independent of the rate at which a system crossed a phase transition. We tested the universal scaling of critical dynamics by using near-resonant shaking to drive Bose-Einstein condensates across an effectively ferromagnetic quantum phase transition. After crossing the phase transition, condensates divide themselves spatially into domains with

  1. Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

    International Nuclear Information System (INIS)

    Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

    2016-01-01

    This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.

  2. Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com [Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Mori, Takashi [Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Saito, Keiji [Department of Physics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, 223-8522 (Japan)

    2016-04-15

    This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.

  3. 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

  4. Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

    Science.gov (United States)

    Tisdale, William A., III

    Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots

  5. Entanglement dynamics after quantum quenches in generic integrable systems

    Directory of Open Access Journals (Sweden)

    Vincenzo Alba, Pasquale Calabrese

    2018-03-01

    Full Text Available The time evolution of the entanglement entropy in non-equilibrium quantum systems provides crucial information about the structure of the time-dependent state. For quantum quench protocols, by combining a quasiparticle picture for the entanglement spreading with the exact knowledge of the stationary state provided by Bethe ansatz, it is possible to obtain an exact and analytic description of the evolution of the entanglement entropy. Here we discuss the application of these ideas to several integrable models. First we show that for non-interacting systems, both bosonic and fermionic, the exact time-dependence of the entanglement entropy can be derived by elementary techniques and without solving the dynamics. We then provide exact results for interacting spin chains that are carefully tested against numerical simulations. Finally, we apply this method to integrable one-dimensional Bose gases (Lieb-Liniger model both in the attractive and repulsive regimes. We highlight a peculiar behaviour of the entanglement entropy due to the absence of a maximum velocity of excitations.

  6. Two dimensional kicked quantum Ising model: dynamical phase transitions

    International Nuclear Information System (INIS)

    Pineda, C; Prosen, T; Villaseñor, E

    2014-01-01

    Using an efficient one and two qubit gate simulator operating on graphical processing units, we investigate ergodic properties of a quantum Ising spin 1/2 model on a two-dimensional lattice, which is periodically driven by a δ-pulsed transverse magnetic field. We consider three different dynamical properties: (i) level density, (ii) level spacing distribution of the Floquet quasienergy spectrum, and (iii) time-averaged autocorrelation function of magnetization components. Varying the parameters of the model, we found transitions between ordered (non-ergodic) and quantum chaotic (ergodic) phases, but the transitions between flat and non-flat spectral density do not correspond to transitions between ergodic and non-ergodic local observables. Even more surprisingly, we found good agreement of level spacing distribution with the Wigner surmise of random matrix theory for almost all values of parameters except where the model is essentially non-interacting, even in regions where local observables are not ergodic or where spectral density is non-flat. These findings question the versatility of the interpretation of level spacing distribution in many-body systems and stress the importance of the concept of locality. (paper)

  7. Dynamical Mean Field Approximation Applied to Quantum Field Theory

    CERN Document Server

    Akerlund, Oscar; Georges, Antoine; Werner, Philipp

    2013-12-04

    We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase and the associated critical exponents nu and beta. We also map out the phase diagram in four dimensions. In two and three dimensions, DMFT incorrectly predicts a first order phase transition for all bare quartic couplings, which is problematic, because the second order nature of the phase transition of lattice phi^4-theory is crucial for taking the continuum limit. Nevertheless, by extrapolating the behaviour away from the phase transition, one can obtain critical couplings and critical exponents. They differ from those of mean field theory and are much closer to the correct values. In four dimensions the transition is sec...

  8. Current-Current Interactions, Dynamical Symmetry - and Quantum Chromodynamics.

    Science.gov (United States)

    Neuenschwander, Dwight Edward, Jr.

    Quantum Chromodynamics with massive gluons (gluon mass (TBOND) xm(,p)) in a contact-interaction limit called CQCD (strong coupling g (--->) (INFIN); x (--->) (INFIN)), despite its non-renormalizability and lack of hope of confinement, is nevertheless interesting for at least two reasons. (1) Some authors have suggested a relation between 4-Fermi and Yang-Mills theories. If g/x('2) slavery, perturbative evaluation of QCD in the infrared is a dubious practice. However, if g('2)/x('2) << 1 in CQCD, then the simplest 4-Fermi interaction is dominant, and CQCD admits perturbative treatment, but only in the infrared. With the dominant interaction, a dynamical Nambu-Goldstone realization of chiral symmetry -breaking (XSB) is found. Although in QCD the relation between confinement and XSB is controversial, XSB occurs in CQCD provided confinement is sacrificed.

  9. Chapter 5: Quantum Dynamics in Dissipative Molecular Systems

    Science.gov (United States)

    Zhang, Hou-Dao; Xu, J.; Xu, Rui-Xue; Yan, Y. J.

    2014-04-01

    The following sections are included: * Introduction * HEOM versus Path Integral Formalism: Background * Generic form and terminology of HEOM * Statistical mechanics description of bath influence * Feynman-Vernon influence functional formalism * General comments * Memory-Frequency Decomposition of Bath Correlation Functions * PSD of Bose function * Brownian oscillators decomposition of bath spectral density function * Optimized HEOM Theory With Accuracy Control * Construction of HEOM via path integral formalism * Accuracy control on white-noise residue ansatz * Efficient HEOM propagator: Numerical filtering and indexing algorithm * HEOM in Quantum Mechanics for Open Systems * The HEOM space and the Schrödinger picture * HEOM in the Heisenberg picture * Mixed Heisenberg-Schrödinger block-matrix dynamics in nonlinear optical response functions * Two-Dimensional Spectroscopy: Model Calculations * Concluding Remarks * Acknowledgments * References

  10. Application of Non-Kolmogorovian Probability and Quantum Adaptive Dynamics to Unconscious Inference in Visual Perception Process

    Science.gov (United States)

    Accardi, Luigi; Khrennikov, Andrei; Ohya, Masanori; Tanaka, Yoshiharu; Yamato, Ichiro

    2016-07-01

    Recently a novel quantum information formalism — quantum adaptive dynamics — was developed and applied to modelling of information processing by bio-systems including cognitive phenomena: from molecular biology (glucose-lactose metabolism for E.coli bacteria, epigenetic evolution) to cognition, psychology. From the foundational point of view quantum adaptive dynamics describes mutual adapting of the information states of two interacting systems (physical or biological) as well as adapting of co-observations performed by the systems. In this paper we apply this formalism to model unconscious inference: the process of transition from sensation to perception. The paper combines theory and experiment. Statistical data collected in an experimental study on recognition of a particular ambiguous figure, the Schröder stairs, support the viability of the quantum(-like) model of unconscious inference including modelling of biases generated by rotation-contexts. From the probabilistic point of view, we study (for concrete experimental data) the problem of contextuality of probability, its dependence on experimental contexts. Mathematically contextuality leads to non-Komogorovness: probability distributions generated by various rotation contexts cannot be treated in the Kolmogorovian framework. At the same time they can be embedded in a “big Kolmogorov space” as conditional probabilities. However, such a Kolmogorov space has too complex structure and the operational quantum formalism in the form of quantum adaptive dynamics simplifies the modelling essentially.

  11. The quantum dynamics of electronically nonadiabatic chemical reactions

    Science.gov (United States)

    Truhlar, Donald G.

    1993-01-01

    Considerable progress was achieved on the quantum mechanical treatment of electronically nonadiabatic collisions involving energy transfer and chemical reaction in the collision of an electronically excited atom with a molecule. In the first step, a new diabatic representation for the coupled potential energy surfaces was created. A two-state diabatic representation was developed which was designed to realistically reproduce the two lowest adiabatic states of the valence bond model and also to have the following three desirable features: (1) it is more economical to evaluate; (2) it is more portable; and (3) all spline fits are replaced by analytic functions. The new representation consists of a set of two coupled diabatic potential energy surfaces plus a coupling surface. It is suitable for dynamics calculations on both the electronic quenching and reaction processes in collisions of Na(3p2p) with H2. The new two-state representation was obtained by a three-step process from a modified eight-state diatomics-in-molecules (DIM) representation of Blais. The second step required the development of new dynamical methods. A formalism was developed for treating reactions with very general basis functions including electronically excited states. Our formalism is based on the generalized Newton, scattered wave, and outgoing wave variational principles that were used previously for reactive collisions on a single potential energy surface, and it incorporates three new features: (1) the basis functions include electronic degrees of freedom, as required to treat reactions involving electronic excitation and two or more coupled potential energy surfaces; (2) the primitive electronic basis is assumed to be diabatic, and it is not assumed that it diagonalizes the electronic Hamiltonian even asymptotically; and (3) contracted basis functions for vibrational-rotational-orbital degrees of freedom are included in a very general way, similar to previous prescriptions for locally

  12. Voltage-Controlled Quantum Dynamics and Generation Entanglement between Two Separated Quantum-Dot Molecules Embedded in Photonic Crystal Cavities

    International Nuclear Information System (INIS)

    Cheng Mu-Tian; Song Yan-Yan; Ma Xiao-San; Wang Xia

    2014-01-01

    Voltage-controlled quantum dynamics of two quantum-dot molecules (QDMs) embedded in two separated photonic crystal cavities are theoretically investigated. We show numerically that generation of entangled states and population transfer between the two QDMs can be realized with the same coupling parameters. The effects of parameters deviation and dissipations on generation entangled states and populations transfer are also discussed. The results may be used for realization of new-type of solid state quantum devices and integrated electro-optical devices

  13. Quantum thermodynamics from the nonequilibrium dynamics of open systems: Energy, heat capacity, and the third law.

    Science.gov (United States)

    Hsiang, J-T; Chou, C H; Subaşı, Y; Hu, B L

    2018-01-01

    In a series of papers, we intend to take the perspective of open quantum systems and examine from their nonequilibrium dynamics the conditions when the physical quantities, their relations, and the laws of thermodynamics become well defined and viable for quantum many-body systems. We first describe how an open-system nonequilibrium dynamics (ONEq) approach is different from the closed combined system +  environment in a global thermal state (CGTs) setup. Only after the open system equilibrates will it be amenable to conventional thermodynamics descriptions, thus quantum thermodynamics (QTD) comes at the end rather than assumed in the beginning. The linkage between the two comes from the reduced density matrix of ONEq in that stage having the same form as that of the system in the CGTs. We see the open-system approach having the advantage of dealing with nonequilibrium processes as many experiments in the near future will call for. Because it spells out the conditions of QTD's existence, it can also aid us in addressing the basic issues in quantum thermodynamics from first principles in a systematic way. We then study one broad class of open quantum systems where the full nonequilibrium dynamics can be solved exactly, that of the quantum Brownian motion of N strongly coupled harmonic oscillators, interacting strongly with a scalar-field environment. In this paper, we focus on the internal energy, heat capacity, and the third law. We show for this class of physical models, amongst other findings, the extensive property of the internal energy, the positivity of the heat capacity, and the validity of the third law from the perspective of the behavior of the heat capacity toward zero temperature. These conclusions obtained from exact solutions and quantitative analysis clearly disprove claims of negative specific heat in such systems and dispel allegations that in such systems the validity of the third law of thermodynamics relies on quantum entanglement. They are

  14. Hecke algebraic properties of dynamical R-matrices. Application to related quantum matrix algebras

    International Nuclear Information System (INIS)

    Khadzhiivanov, L.K.; Todorov, I.T.; Isaev, A.P.; Pyatov, P.N.; Ogievetskij, O.V.

    1998-01-01

    The quantum dynamical Yang-Baxter (or Gervais-Neveu-Felder) equation defines an R-matrix R cap (p), where p stands for a set of mutually commuting variables. A family of SL (n)-type solutions of this equation provides a new realization of the Hecke algebra. We define quantum antisymmetrizers, introduce the notion of quantum determinant and compute the inverse quantum matrix for matrix algebras of the type R cap (p) a 1 a 2 = a 1 a 2 R cap. It is pointed out that such a quantum matrix algebra arises in the operator realization of the chiral zero modes of the WZNW model

  15. High resolution kinetic beam schemes in generalized coordinates for ideal quantum gas dynamics

    International Nuclear Information System (INIS)

    Shi, Yu-Hsin; Huang, J.C.; Yang, J.Y.

    2007-01-01

    A class of high resolution kinetic beam schemes in multiple space dimensions in general coordinates system for the ideal quantum gas is presented for the computation of quantum gas dynamical flows. The kinetic Boltzmann equation approach is adopted and the local equilibrium quantum statistics distribution is assumed. High-order accurate methods using essentially non-oscillatory interpolation concept are constructed. Computations of shock wave diffraction by a circular cylinder in an ideal quantum gas are conducted to illustrate the present method. The present method provides a viable means to explore various practical ideal quantum gas flows

  16. Dynamics of vortices in polariton quantum fluids : From full vortices, to half vortices and vortex pairs

    Science.gov (United States)

    Deveaud-Plédran, Benoit

    2012-02-01

    Polariton quantum fluids may be created both spontaneously through a standard phase transition towards a Bose Einstein condensate, or may be resonantly driven with a well-defined speed. Thanks to the photonic component of polaritons, the properties of the quantum fluid may be accessed rather directly with in particular the possibility of detained interferometric studies. Here, I will detail the dynamics of vortices, obtained with a picosecond time resolution, in different configurations, with in particular their phase dynamics. I will show in particular the dynamics the dynamics of spontaneous creation of a vortex, the dissociation of a full vortex into two half vortices as well as the dynamics of the dissociation of a dark soliton line into a street of pairs of vortices. Work done at EPFL by a dream team of Postdocs PhD students and collaborators: K. Lagoudakis, G. Nardin, T. Paraiso, G. Grosso, F. Manni, Y L'eger, M. Portella Oberli, F. Morier-Genoud and the help of our friend theorists V, Savona, M. Vouters and T. Liew.

  17. Observation of quasiperiodic dynamics in a one-dimensional quantum walk of single photons in space

    Science.gov (United States)

    Xue, Peng; Qin, Hao; Tang, Bao; Sanders, Barry C.

    2014-05-01

    We realize the quasi-periodic dynamics of a quantum walker over 2.5 quasi-periods by realizing the walker as a single photon passing through a quantum-walk optical-interferometer network. We introduce fully controllable polarization-independent phase shifters in each optical path to realize arbitrary site-dependent phase shifts, and employ large clear-aperture beam displacers, while maintaining high-visibility interference, to enable 10 quantum-walk steps to be reached. By varying the half-wave-plate setting, we control the quantum-coin bias thereby observing a transition from quasi-periodic dynamics to ballistic diffusion.

  18. 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.

  19. Quantum Mechanical Studies of DNA and LNA

    DEFF Research Database (Denmark)

    Koch, Troels; Shim, Irene; Lindow, Morten

    2014-01-01

    Quantum mechanical (QM) methodology has been employed to study the structure activity relations of DNA and locked nucleic acid (LNA). The QM calculations provide the basis for construction of molecular structure and electrostatic surface potentials from molecular orbitals. The topologies of the e......Quantum mechanical (QM) methodology has been employed to study the structure activity relations of DNA and locked nucleic acid (LNA). The QM calculations provide the basis for construction of molecular structure and electrostatic surface potentials from molecular orbitals. The topologies...

  20. 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...

  1. A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O+ + H2 reaction.

    Science.gov (United States)

    Li, Wentao; Yuan, Jiuchuang; Yuan, Meiling; Zhang, Yong; Yao, Minghai; Sun, Zhigang

    2018-01-03

    A new global potential energy surface (PES) of the O + + H 2 system was constructed with the permutation invariant polynomial neural network method, using about 63 000 ab initio points, which were calculated by employing the multi-reference configuration interaction method with aug-cc-pVTZ and aug-cc-pVQZ basis sets. For improving the accuracy of the PES, the basis set was extrapolated to the complete basis set limit by the two-point extrapolation method. The root mean square error of fitting was only 5.28 × 10 -3 eV. The spectroscopic constants of the diatomic molecules were calculated and compared with previous theoretical and experimental results, which suggests that the present results agree well with the experiment. On the newly constructed PES, reaction dynamics studies were performed using the time-dependent wave packet method. The calculated integral cross sections (ICSs) were compared with the available theoretical and experimental results, where a good agreement with the experimental data was seen. Significant forward and backward scatterings were observed in the whole collision energy region studied. At the same time, the differential cross sections biased the forward scattering, especially at higher collision energies.

  2. 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.

  3. Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach

    International Nuclear Information System (INIS)

    Unn-Toc, W.; Meier, C.; Halberstadt, N.; Uranga-Piña, Ll.; Rubayo-Soneira, J.

    2012-01-01

    A high-dimensional quantum wave packet approach based on Gaussian wave packets in Cartesian coordinates is presented. In this method, the high-dimensional wave packet is expressed as a product of time-dependent complex Gaussian functions, which describe the motion of individual atoms. It is applied to the ultrafast geometrical rearrangement dynamics of NO doped cryogenic Ne matrices after femtosecond laser pulse excitation. The static deformation of the solid due to the impurity as well as the dynamical response after femtosecond excitation are analyzed and compared to reduced dimensionality studies. The advantages and limitations of this method are analyzed in the perspective of future applications to other quantum solids.

  4. Quantum dynamics of solid Ne upon photo-excitation of a NO impurity: A Gaussian wave packet approach

    Energy Technology Data Exchange (ETDEWEB)

    Unn-Toc, W.; Meier, C.; Halberstadt, N. [Laboratoire Collisions Agregats et Reactivite, IRSAMC, UMR CNRS 5589, Universite Paul Sabatier, 31062 Toulouse (France); Uranga-Pina, Ll. [Laboratoire Collisions Agregats et Reactivite, IRSAMC, UMR CNRS 5589, Universite Paul Sabatier, 31062 Toulouse (France); Facultad de Fisica, Universidad de la Habana, San Lazaro y L, Vedado, 10400 La Habana (Cuba); Rubayo-Soneira, J. [Instituto Superior de Tecnologias y Ciencias Aplicadas (InSTEC), Ave. Salvador Allende y Luaces, Habana 10600, AP 6163 La Habana (Cuba)

    2012-08-07

    A high-dimensional quantum wave packet approach based on Gaussian wave packets in Cartesian coordinates is presented. In this method, the high-dimensional wave packet is expressed as a product of time-dependent complex Gaussian functions, which describe the motion of individual atoms. It is applied to the ultrafast geometrical rearrangement dynamics of NO doped cryogenic Ne matrices after femtosecond laser pulse excitation. The static deformation of the solid due to the impurity as well as the dynamical response after femtosecond excitation are analyzed and compared to reduced dimensionality studies. The advantages and limitations of this method are analyzed in the perspective of future applications to other quantum solids.

  5. Applicability of transfer tensor method for open quantum system dynamics.

    Science.gov (United States)

    Gelzinis, Andrius; Rybakovas, Edvardas; Valkunas, Leonas

    2017-12-21

    Accurate simulations of open quantum system dynamics is a long standing issue in the field of chemical physics. Exact methods exist, but are costly, while perturbative methods are limited in their applicability. Recently a new black-box type method, called transfer tensor method (TTM), was proposed [J. Cerrillo and J. Cao, Phys. Rev. Lett. 112, 110401 (2014)]. It allows one to accurately simulate long time dynamics with a numerical cost of solving a time-convolution master equation, provided many initial system evolution trajectories are obtained from some exact method beforehand. The possible time-savings thus strongly depend on the ratio of total versus initial evolution lengths. In this work, we investigate the parameter regimes where an application of TTM would be most beneficial in terms of computational time. We identify several promising parameter regimes. Although some of them correspond to cases when perturbative theories could be expected to perform well, we find that the accuracy of such approaches depends on system parameters in a more complex way than it is commonly thought. We propose that the TTM should be applied whenever system evolution is expected to be long and accuracy of perturbative methods cannot be ensured or in cases when the system under consideration does not correspond to any single perturbative regime.

  6. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Makhov, Dmitry V.; Shalashilin, Dmitrii V. [Department of Chemistry, University of Leeds, Leeds LS2 9JT (United Kingdom); Glover, William J.; Martinez, Todd J. [Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California 94305, USA and SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2014-08-07

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  7. Can Excited State Electronic Coherence Be Tuned via Molecular Structural Modification? A First-Principles Quantum Electronic Dynamics Study of Pyrazolate-Bridged Pt(II) Dimers

    Energy Technology Data Exchange (ETDEWEB)

    Lingerfelt, David B.; Lestrange, Patrick J.; Radler, Joseph J.; Brown-Xu, Samantha E.; Kim, Pyosang; Castellano, Felix N.; Chen, Lin X.; Li, Xiaosong

    2017-02-24

    Materials and molecular systems exhibiting long-lived electronic coherence can facilitate coherent transport, opening the door to efficient charge and energy transport beyond traditional methods. Recently, signatures of a possible coherent, recurrent electronic motion were identified in femtosecond pump-probe spectroscopy experiments on a binuclear platinum complex, where a persistent periodic beating in the transient absorption signal’s anisotropy was observed. In this study, we investigate the excitonic dynamics that underlie the suspected electronic coherence for a series of binuclear platinum complexes exhibiting a range of interplatinum distances. Results suggest that the long-lived coherence can only result when competitive electronic couplings are in balance. At longer Pt-Pt distances, the electronic couplings between the two halves of the binuclear system weaken, and exciton localization and recombination is favored on short time scales. For short Pt-Pt distances, electronic couplings between the states in the coherent superposition are stronger than the coupling with other excitonic states, leading to long-lived coherence.

  8. Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

    Science.gov (United States)

    Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

    2016-04-01

    This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

  9. Microcanonical ensemble and algebra of conserved generators for generalized quantum dynamics

    International Nuclear Information System (INIS)

    Adler, S.L.; Horwitz, L.P.

    1996-01-01

    It has recently been shown, by application of statistical mechanical methods to determine the canonical ensemble governing the equilibrium distribution of operator initial values, that complex quantum field theory can emerge as a statistical approximation to an underlying generalized quantum dynamics. This result was obtained by an argument based on a Ward identity analogous to the equipartition theorem of classical statistical mechanics. We construct here a microcanonical ensemble which forms the basis of this canonical ensemble. This construction enables us to define the microcanonical entropy and free energy of the field configuration of the equilibrium distribution and to study the stability of the canonical ensemble. We also study the algebraic structure of the conserved generators from which the microcanonical and canonical ensembles are constructed, and the flows they induce on the phase space. copyright 1996 American Institute of Physics

  10. Ab initio path-integral molecular dynamics and the quantum nature of hydrogen bonds

    International Nuclear Information System (INIS)

    Feng Yexin; Chen Ji; Wang Enge; Li Xin-Zheng

    2016-01-01

    The hydrogen bond (HB) is an important type of intermolecular interaction, which is generally weak, ubiquitous, and essential to life on earth. The small mass of hydrogen means that many properties of HBs are quantum mechanical in nature. In recent years, because of the development of computer simulation methods and computational power, the influence of nuclear quantum effects (NQEs) on the structural and energetic properties of some hydrogen bonded systems has been intensively studied. Here, we present a review of these studies by focussing on the explanation of the principles underlying the simulation methods, i.e., the ab initio path-integral molecular dynamics. Its extension in combination with the thermodynamic integration method for the calculation of free energies will also be introduced. We use two examples to show how this influence of NQEs in realistic systems is simulated in practice. (topical review)

  11. Biological sensing and control of emission dynamics of quantum dot bioconjugates using arrays of long metallic nanorods.

    Science.gov (United States)

    Sadeghi, Seyed M; Gutha, Rithvik R; Wing, Waylin J; Sharp, Christina; Capps, Lucas; Mao, Chuanbin

    2017-01-01

    We study biological sensing using plasmonic and photonic-plasmonic resonances of arrays of ultralong metallic nanorods and analyze the impact of these resonances on emission dynamics of quantum dot bioconjugates. We demonstrate that the LSPRs and plasmonic lattice modes of such array can be used to detect a single self-assembled monolayer of alkanethiol at the visible (550 nm) and near infrared (770 nm) range with well resolved shifts. We study adsorption of streptavidin-quantum dot conjugates to this monolayer, demonstrating that formation of nearly two dimensional arrays of quantum dots with limited emission blinking can lead to extra well-defined wavelength shifts in these modes. Using spectrally-resolved lifetime measurements we study the emission dynamics of such quantum dot bioconjugates within their monodispersed size distribution. We show that, despite their close vicinity to the nanorods, the rate of energy transfer from these quantum dots to nanorods is rather weak, while the plasmon field enhancement can be strong. Our results reveal that the nanorods present a strongly wavelength or size-dependent non-radiative decay channel to the quantum dot bioconjugates.

  12. Quantum-Classical Correspondence: Dynamical Quantization and the Classical Limit

    International Nuclear Information System (INIS)

    Turner, L

    2004-01-01

    In only 150 pages, not counting appendices, references, or the index, this book is one author's perspective of the massive theoretical and philosophical hurdles in the no-man's-land separating the classical and quantum domains of physics. It ends with him emphasizing his own theoretical contribution to this area. In his own words, he has attempted to answer: 1. How can we obtain the quantum dynamics of open systems initially described by the equations of motion of classical physics (quantization process) 2. How can we retrieve classical dynamics from the quantum mechanical equations of motion by means of a classical limiting process (dequantization process). However, this monograph seems overly ambitious. Although the publisher's description refers to this book as an accessible entre, we find that this author scrambles too hastily over the peaks of information that are contained in his large collection of 272 references. Introductory motivating discussions are lacking. Profound ideas are glossed over superficially and shoddily. Equations morph. But no new convincing understanding of the physical world results. The author takes the viewpoint that physical systems are always in interaction with their environment and are thus not isolated and, therefore, not Hamiltonian. This impels him to produce a method of quantization of these stochastic systems without the need of a Hamiltonian. He also has interest in obtaining the classical limit of the quantized results. However, this reviewer does not understand why one needs to consider open systems to understand quantum-classical correspondence. The author demonstrates his method using various examples of the Smoluchowski form of the Fokker--Planck equation. He then renders these equations in a Wigner representation, uses what he terms an infinitesimality condition, and associates with a constant having the dimensions of an action. He thereby claims to develop master equations, such as the Caldeira-Leggett equation, without

  13. Quantum confined Stark effect in Gaussian quantum wells: A tight-binding study

    International Nuclear Information System (INIS)

    Ramírez-Morales, A.; Martínez-Orozco, J. C.; Rodríguez-Vargas, I.

    2014-01-01

    The main characteristics of the quantum confined Stark effect (QCSE) are studied theoretically in quantum wells of Gaussian profile. The semi-empirical tight-binding model and the Green function formalism are applied in the numerical calculations. A comparison of the QCSE in quantum wells with different kinds of confining potential is presented

  14. Quantum confined Stark effect in Gaussian quantum wells: A tight-binding study

    Energy Technology Data Exchange (ETDEWEB)

    Ramírez-Morales, A.; Martínez-Orozco, J. C.; Rodríguez-Vargas, I. [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad Esquina Con Paseo La Bufa S/N, 98060 Zacatecas, Zac. (Mexico)

    2014-05-15

    The main characteristics of the quantum confined Stark effect (QCSE) are studied theoretically in quantum wells of Gaussian profile. The semi-empirical tight-binding model and the Green function formalism are applied in the numerical calculations. A comparison of the QCSE in quantum wells with different kinds of confining potential is presented.

  15. 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

  16. Quantum-classical hybrid dynamics – a summary

    International Nuclear Information System (INIS)

    Elze, Hans-Thomas

    2013-01-01

    A summary of a recently proposed description of quantum-classical hybrids is presented, which concerns quantum and classical degrees of freedom of a composite object that interact directly with each other. This is based on notions of classical Hamiltonian mechanics suitably extended to quantum mechanics.

  17. Quantum dynamics and entanglement of spins on a square lattice

    DEFF Research Database (Denmark)

    Christensen, Niels Bech; Rønnow, Henrik Moodysson; McMorrow, Desmond Francis

    2007-01-01

    in understanding quantum effects in one-dimensional quantum antiferromagnets, but a complete experimental description of even simple two-dimensional antiferromagnets is lacking. Here we describe a comprehensive set of neutron scattering measurements that reveal a non-spin-wave continuum and strong quantum effects...

  18. NON-HAMILTONIAN QUANTUM MECHANICS AND THE NUMERICAL RESEARCHES OF THE ATTRACTOR OF A DYNAMICAL SYSTEM.

    Directory of Open Access Journals (Sweden)

    A. Weissblut

    2012-03-01

    Full Text Available This article – introduction to the structural theory of general view dynamical systems, based on construction of dynamic quantum models (DQM, offered by the author. This model is simply connected with traditional model of quantum mechanics (i.e. with the Schrodinger equation. At the same time obtained thus non – Hamiltonian quantum dynamics is easier than classical one: it allow building the clear structural theory and effective algorithms of research for concrete systems. This article is devoted mainly to such task. The algorithm of search for DQM attractors, based on this approach, is offered here.

  19. Quantum dynamics of small Josephson junctions: an application to superconductivity in granular films

    International Nuclear Information System (INIS)

    Fisher, M.P.A.

    1986-01-01

    This thesis is devoted to a study of the quantum dynamics of small Josephson junctions. Of interest are those features of the junction's behavior which depend explicitly on the quantum mechanical nature of the phase difference phi between the superconductors. In Chapters I and II several calculations are described which focus on the junction's DC resistance. A fully quantum mechanical Hamiltonian is employed that incorporates the dissipative effects due to the unpaired electrons by coupling to a bath of harmonic oscillators. It is shown that the model exhibits a novel zero temperature phase transition as a function of the strength of the dissipation. In the low dissipation regime the phase is free to tunnel quantum mechanically and the junction's resistance is finite; in response to an external current, tunnelling induces successive 2π phase slips leading to a finite voltage state. In contrast, in the high dissipation regime, tunnelling is suppressed and the junction behaves as a superconductor carrying current with no resistive losses. In Chapters III and IV, these results are applied in an attempt to explain the recent observation that in ultra thin Sn films there is apparently a universal normal state sheet resistance above which superconductivity cannot be established

  20. Classical and quantum dynamics of a perfect fluid scalar-metric cosmology

    International Nuclear Information System (INIS)

    Vakili, Babak

    2010-01-01

    We study the classical and quantum models of a Friedmann-Robertson-Walker (FRW) cosmology, coupled to a perfect fluid, in the context of the scalar-metric gravity. Using the Schutz' representation for the perfect fluid, we show that, under a particular gauge choice, it may lead to the identification of a time parameter for the corresponding dynamical system. It is shown that the evolution of the universe based on the classical cosmology represents a late time power law expansion coming from a big-bang singularity in which the scale factor goes to zero while the scalar field blows up. Moreover, this formalism gives rise to a Schroedinger-Wheeler-DeWitt (SWD) equation for the quantum-mechanical description of the model under consideration, the eigenfunctions of which can be used to construct the wave function of the universe. We use the resulting wave function in order to investigate the possibility of the avoidance of classical singularities due to quantum effects by means of the many-worlds and ontological interpretation of quantum cosmology.

  1. Preinflationary dynamics in loop quantum cosmology: Power-law potentials

    Science.gov (United States)

    Shahalam, M.; Sharma, Manabendra; Wu, Qiang; Wang, Anzhong

    2017-12-01

    In this paper, we study the preinflationary dynamics for the power-law potential [V (ϕ )∝ϕn] with n consideration and compare our results with the ones obtained previously for different potentials.

  2. Massless quantum electrodynamics: a variational study

    International Nuclear Information System (INIS)

    Piquini, P.C.

    1990-01-01

    The variational method was used to study the probable existence of a compound vacuum in quantum electrodynamics. An Ansatz containing a condensate of electron-positron pairs was investigated and an optimization equation for the condensate wave function found. (L.C.J.A.)

  3. Smoothing of Gaussian quantum dynamics for force detection

    Science.gov (United States)

    Huang, Zhishen; Sarovar, Mohan

    2018-04-01

    Building on recent work by Gammelmark et al. [Phys. Rev. Lett. 111, 160401 (2013), 10.1103/PhysRevLett.111.160401] we develop a formalism for prediction and retrodiction of Gaussian quantum systems undergoing continuous measurements. We apply the resulting formalism to study the advantage of incorporating a full measurement record and retrodiction for impulselike force detection and accelerometry. We find that using retrodiction can only increase accuracy in a limited parameter regime, but that the reduction in estimation noise that it yields results in better detection of impulselike forces.

  4. Complex scattering dynamics and the integer quantum Hall effect

    International Nuclear Information System (INIS)

    Trugman, S.A.; Waugh, F.R.

    1987-01-01

    The effect of a magnetic field on potential scattering is investigated microscopically. A magnetic field renders the scattering of a classical charged particle far more complex than previously suspected. Consequences include possible 1/f noise and an explanation of the observed breakdown of the quantum Hall effect at large currents. A particular scatterer is described by a discontinuous one dimensional Hamiltonian map, a class of maps that has not previously been studied. A renormalization group analysis indicates that singular behavior arises from the interplay of electron orbits that are periodic and orbits that are quasiperiodic

  5. Tailoring discrete quantum walk dynamics via extended initial conditions

    Energy Technology Data Exchange (ETDEWEB)

    Valcarcel, German J de; Roldan, Eugenio [Departament d' Optica, Universitat de Valencia, Dr Moliner 50, 46100-Burjassot, Spain, EU (Spain); Romanelli, Alejandro, E-mail: german.valcarcel@uv.es, E-mail: eugenio.roldan@uv.es, E-mail: alejo@fing.edu.uy [Instituto de Fisica, Facultad de IngenierIa, Universidad de la Republica, CC 30, CP 11000, Montevideo (Uruguay)

    2010-12-15

    We study the evolution of initially extended distributions in the coined quantum walk (QW) on the line. By analysing the dispersion relation of the process, continuous wave equations are derived whose form depends on the initial distribution shape. In particular, for a class of initial conditions, the evolution is dictated by the Schroedinger equation of a free particle. As that equation also governs paraxial optical diffraction, all of the phenomenology of the latter can be implemented in the QW. This allows us, in particular, to devise an initially extended condition leading to a uniform probability distribution whose width increases linearly with time, with increasing homogeneity.

  6. Tailoring discrete quantum walk dynamics via extended initial conditions

    International Nuclear Information System (INIS)

    Valcarcel, German J de; Roldan, Eugenio; Romanelli, Alejandro

    2010-01-01

    We study the evolution of initially extended distributions in the coined quantum walk (QW) on the line. By analysing the dispersion relation of the process, continuous wave equations are derived whose form depends on the initial distribution shape. In particular, for a class of initial conditions, the evolution is dictated by the Schroedinger equation of a free particle. As that equation also governs paraxial optical diffraction, all of the phenomenology of the latter can be implemented in the QW. This allows us, in particular, to devise an initially extended condition leading to a uniform probability distribution whose width increases linearly with time, with increasing homogeneity.

  7. Sonoluminescence Explained by the Standpoint of Coherent Quantum Vacuum Dynamics and its Prospects for Energy Production

    Science.gov (United States)

    Maxmilian Caligiuri, Luigi; Musha, Takaaki

    Sonoluminescence, or its more frequently studied version known as Single Bubble Sonoluminescence, consisting in the emission of light by a collapsing bubble in water under ultrasounds, represents one of the most challenging and interesting phenomenon in theoretical physics. In fact, despite its relatively easy reproducibility in a simple laboratory, its understanding within the commonly accepted picture of condensed matter remained so far unsatisfactory. On the other hand, the possibility to control the physical process involved in sonoluminescence, representing a sort of nuclear fusion on small scale, could open unthinkable prospects of free energy production from water. Different explanations has been proposed during the past years considering, in various way, the photoemission to be related to electromagnetic Zero Point Field energy dynamics, by considering the bubble surface as a Casimir force boundary. More recently a model invoking Cherenkov radiation emission from superluminal photons generated in quantum vacuum has been successfully proposed. In this paper it will be shown that the same results can be more generally explained and quantitative obtained within a QED coherent dynamics of quantum vacuum, according to which the electromagnetic energy of the emitted photons would be related to the latent heat involved in the phase transition from water's vapor to liquid phase during the bubble collapse. The proposed approach could also suggest an explanation of a possible mechanism of generation of faster than light (FTL) photons required to start Cherenkov radiation as well as possible applications to energy production from quantum vacuum.

  8. Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

    KAUST Repository

    Buin, Andrei; Comin, Riccardo; Ip, Alexander H.; Sargent, Edward H.

    2015-01-01

    © 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention at both the experimental and theoretical levels. Much of this work has been dedicated to bulk material studies, yet recent experimental work has shown the formation of highly efficient quantum-confined nanocrystals with tunable band edges. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius of 45 Å that agrees well with literature values. When the quantum dots are stoichiometric, they are trap-free and have nearly symmetric contributions to confinement from the valence and conduction bands. We further show that surface-associated conduction bandedge states in perovskite nanocrystals lie below the bulk states, which could explain the difference in Urbach tails between mesoporous and planar perovskite films. In addition to conventional molecular dynamics (MD), we implement an enhanced phase-space sampling algorithm, replica exchange molecular dynamics (REMD). We find that in simulation of methylammonium orientation and global minima, REMD outperforms conventional MD. To the best of our knowledge, this is the first REMD implementation for realistic-sized systems in the realm of DFT calculations.

  9. Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

    KAUST Repository

    Buin, Andrei

    2015-06-18

    © 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention at both the experimental and theoretical levels. Much of this work has been dedicated to bulk material studies, yet recent experimental work has shown the formation of highly efficient quantum-confined nanocrystals with tunable band edges. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius of 45 Å that agrees well with literature values. When the quantum dots are stoichiometric, they are trap-free and have nearly symmetric contributions to confinement from the valence and conduction bands. We further show that surface-associated conduction bandedge states in perovskite nanocrystals lie below the bulk states, which could explain the difference in Urbach tails between mesoporous and planar perovskite films. In addition to conventional molecular dynamics (MD), we implement an enhanced phase-space sampling algorithm, replica exchange molecular dynamics (REMD). We find that in simulation of methylammonium orientation and global minima, REMD outperforms conventional MD. To the best of our knowledge, this is the first REMD implementation for realistic-sized systems in the realm of DFT calculations.

  10. Transport efficiency in open quantum systems with static and dynamical disorder

    Science.gov (United States)

    Zhang, Yang; Celardo, G. Luca; Borgonovi, Fausto; Kaplan, Lev

    2017-12-01

    We study, under very general conditions and in a variety of geometries, quantum enhancement of transport in open systems. Both static disorder and dephasing associated with dynamical disorder (or finite temperature) are fully included in the analysis. We show that quantum coherence effects may significantly enhance transport in open quantum systems even in the semiclassical regime (where the decoherence rate is greater than the inter-site hopping amplitude), as long as the static disorder is sufficiently strong. When the strengths of static and dynamical disorder are fixed, there is an optimal opening strength at which the coherent transport enhancement is optimized. Analytic results are obtained in two simple paradigmatic tight-binding models of large systems: the linear chain and the fully connected network. The physical behavior is also reflected, for example, in the FMO photosynthetic complex, which may be viewed as being intermediate between these paradigmatic models. We furthermore show that a nonzero dephasing rate assists transport in an open linear chain when the disorder strength exceeds a critical value, and obtain this critical disorder strength as a function of the degree of opening.

  11. A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure.

    Science.gov (United States)

    Zaboli, Maryam; Raissi, Heidar

    2018-01-05

    In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇ 2 ρ (r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2ns. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

    Science.gov (United States)

    Zaboli, Maryam; Raissi, Heidar

    2018-01-01

    In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇2ρ(r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2 ns.

  13. Quantum dynamics of a particle in a tracking chamber

    International Nuclear Information System (INIS)

    Figari, Rodolfo; INFN, Napoli; Teta, Alessandro

    2014-01-01

    In the original formulation of quantum mechanics the existence of a precise border between a microscopic world, governed by quantum mechanics, and a macroscopic world, described by classical mechanics was assumed. Modern theoretical and experimental physics has moved that border several times, carefully investigating its definition and making available to observation larger and larger quantum systems. The present book examines a paradigmatic case of the transition from quantum to classical behavior: A quantum particle is revealed in a tracking chamber as a trajectory obeying the laws of classical mechanics. The authors provide here a purely quantum-mechanical description of this behavior, thus helping to illuminate the nature of the border between the quantum and the classical.

  14. Quantum dynamics of a particle in a tracking chamber

    CERN Document Server

    Figari, Rodolfo

    2014-01-01

    In the original formulation of quantum mechanics the existence of a precise border between a microscopic world, governed by quantum mechanics, and a macroscopic world, described by classical mechanics was assumed. Modern theoretical and experimental physics has moved that border several times, carefully investigating its definition and making available to observation larger and larger quantum systems. The present book examines a paradigmatic case of the transition from quantum to classical behavior: A quantum particle is revealed in a tracking chamber as a trajectory obeying the laws of classical mechanics. The authors provide here a purely quantum-mechanical description of this behavior, thus helping to illuminate the nature of the border between the quantum and the classical.

  15. Quantum control of ultra-cold atoms: uncovering a novel connection between two paradigms of quantum nonlinear dynamics

    DEFF Research Database (Denmark)

    Wang, Jiao; Mouritzen, Anders Sørrig; Gong, Jiangbin

    2009-01-01

    Controlling the translational motion of cold atoms using optical lattice potentials is of both theoretical and experimental interest. By designing two on-resonance time sequences of kicking optical lattice potentials, a novel connection between two paradigms of nonlinear mapping systems, i.e. the...... sequences of control fields. Extensions of this study are also discussed. The results are intended to open up a new generation of cold-atom experiments of quantum nonlinear dynamics.......Controlling the translational motion of cold atoms using optical lattice potentials is of both theoretical and experimental interest. By designing two on-resonance time sequences of kicking optical lattice potentials, a novel connection between two paradigms of nonlinear mapping systems, i...

  16. Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.

    Science.gov (United States)

    Liu, Xinzijian; Liu, Jian

    2018-03-14

    An exact approach to compute physical properties for general multi-electronic-state (MES) systems in thermal equilibrium is presented. The approach is extended from our recent progress on path integral molecular dynamics (PIMD), Liu et al. [J. Chem. Phys. 145, 024103 (2016)] and Zhang et al. [J. Chem. Phys. 147, 034109 (2017)], for quantum statistical mechanics when a single potential energy surface is involved. We first define an effective potential function that is numerically favorable for MES-PIMD and then derive corresponding estimators in MES-PIMD for evaluating various physical properties. Its application to several representative one-dimensional and multi-dimensional models demonstrates that MES-PIMD in principle offers a practical tool in either of the diabatic and adiabatic representations for studying exact quantum statistics of complex/large MES systems when the Born-Oppenheimer approximation, Condon approximation, and harmonic bath approximation are broken.

  17. Effects of the phase periodicity on the quantum dynamics of a resistively shunted Josephson junction

    International Nuclear Information System (INIS)

    Zwerger, W.; Dorsey, A.T.; Fisher, M.P.A.

    1986-01-01

    A phenomenological model is introduced for the dissipative quantum dynamics of the phase phi across a current-biased Josephson junction. The model is invariant under phi→phi+2π. This enables us to restrict phi to the interval 0 to 2π, equating phi+2π with phi, and study the role played by the resulting nontrivial topology. Using Feynman's influence functional theory it is shown that the dissipation suppresses interference between paths with different winding numbers. For Ohmic dissipation this interference is completely destroyed, and phi can effectively be treated as an extended coordinate. This justifies the use of the usual washboard potential description of a current-biased junction even in the quantum case, provided an Ohmic dissipation mechanism is present

  18. Carrier transport dynamics in Mn-doped CdSe quantum dot sensitized solar cells

    Science.gov (United States)

    Poudyal, Uma; Maloney, Francis S.; Sapkota, Keshab; Wang, Wenyong

    2017-10-01

    In this work quantum dot sensitized solar cells (QDSSCs) were fabricated with CdSe and Mn-doped CdSe quantum dots (QDs) using the SILAR method. QDSSCs based on Mn-doped CdSe QDs exhibited improved incident photon-to-electron conversion efficiency. Carrier transport dynamics in the QDSSCs were studied using the intensity modulated photocurrent/photovoltage spectroscopy technique, from which transport and recombination time constants could be derived. Compared to CdSe QDSSCs, Mn-CdSe QDSSCs exhibited shorter transport time constant, longer recombination time constant, longer diffusion length, and higher charge collection efficiency. These observations suggested that Mn doping in CdSe QDs could benefit the performance of solar cells based on such nanostructures.

  19. An algebraic approach to the inverse eigenvalue problem for a quantum system with a dynamical group

    International Nuclear Information System (INIS)

    Wang, S.J.

    1993-04-01

    An algebraic approach to the inverse eigenvalue problem for a quantum system with a dynamical group is formulated for the first time. One dimensional problem is treated explicitly in detail for both the finite dimensional and infinite dimensional Hilbert spaces. For the finite dimensional Hilbert space, the su(2) algebraic representation is used; while for the infinite dimensional Hilbert space, the Heisenberg-Weyl algebraic representation is employed. Fourier expansion technique is generalized to the generator space, which is suitable for analysis of irregular spectra. The polynormial operator basis is also used for complement, which is appropriate for analysis of some simple Hamiltonians. The proposed new approach is applied to solve the classical inverse Sturn-Liouville problem and to study the problems of quantum regular and irregular spectra. (orig.)

  20. 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.