Iyengar, Srinivasan S.
calculations are provided for proton transfer systems and the dynamics results are compared with exactQuantum wave packet ab initio molecular dynamics: An approach to study quantum dynamics in large systems Srinivasan S. Iyengara and Jacek Jakowski Department of Chemistry and Department of Physics
The study of classical dynamical systems using quantum theory
NASA Astrophysics Data System (ADS)
Bogdanov, Yu. I.; Bogdanova, N. A.
2014-12-01
We have developed a method for complementing an arbitrary classical dynamical system to a quantum system using the Lorenz and Rössler systems as examples. The Schrödinger equation for the corresponding quantum statistical ensemble is described in terms of the Hamilton-Jacobi formalism. We consider both the original dynamical system in the coordinate space and the conjugate dynamical system corresponding to the momentum space. Such simultaneous consideration of mutually complementary coordinate and momentum frameworks provides a deeper understanding of the nature of chaotic behavior in dynamical systems. We have shown that the new formalism provides a significant simplification of the Lyapunov exponents calculations. From the point of view of quantum optics, the Lorenz and Rössler systems correspond to three modes of a quantized electromagnetic field in a medium with cubic nonlinearity. From the computational point of view, the new formalism provides a basis for the analysis of complex dynamical systems using quantum computers.
Computer studies of multiple-quantum spin dynamics
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.
Nuclear magnetometry studies of spin dynamics in quantum Hall systems
NASA Astrophysics Data System (ADS)
Fauzi, M. H.; Watanabe, S.; Hirayama, Y.
2014-12-01
We performed a nuclear magnetometry study on quantum Hall ferromagnet with a bilayer total filling factor of ?tot=2 . We found not only a rapid nuclear relaxation but also a sudden change in the nuclear-spin polarization distribution after a one-second interaction with a canted antiferromagnetic phase. We discuss the possibility of observing cooperative phenomena coming from nuclear-spin ensemble triggered by hyperfine interaction in quantum Hall system.
Quantum and mixed quantum-classical dynamics studies of chemical reactions and biological system
NASA Astrophysics Data System (ADS)
Wang, Mingliang
In recent years, there is dramatic progress in doing quantum reaction dynamics for small system particularly for three-atom and four-atom systems. For general polyatomic systems with more than four atoms, reduced dimensional methods have been widely used. In most cases, a group of atoms are treated as one pseudo-atom, therefore methods are classified as three-atom or four-atom system. The biggest shortcoming in the above pseudo-atom models, the stereo geometry information of polyatomic molecule is lost. Considering this disadvantage, semi-rigid vibrating rotor target (SVRT) model were proposed by Prof. Zhang. The SVRT model could be applied to general polyatomic systems, and correctly treat the stereodynamics of the polyatomic system. In this thesis, SVRT model was implemented to study atom-polyatomic reactions H + CH4 ? H2+CH3 as well as O( 3P) + CH4 ? OH + CH3. In these calculations, the reaction probabilities, cross section and rate constants were computed. The calculated rate constants are in a good agreement with experimental results, much better than those of pseudo-atom models. Stereodynamics is also explored using the SVRT model. We found that the initial orientation of CH4 plays an important role in reaction dynamics, which could not studied in pseudo-atom methods. As the reduced mass between atom and polyatomic molecule is relatively large for O(3P) + CH4 ? OH + CH3 reaction, the pure quantum computation is becoming expensive. Therefore, mixed quantum/classical approach was implemented and applied to O(3P) + CH4 ? OH + CH3, where the translation mode is treated by classical mechanics, while the other coordinates are treated quantum mechanically. Calculation indicates that the QC results agree with the quantum results reasonably, particularly for rate constants. Finally, the mixed quantum/classical approach is developed to study the energy transfer between Na+ and a dipeptide based on widely used force field. We found that the Na+ could be trapped by peptide at some approaching angles, which resulted in the energy transfer to torsional mode of the dipeptide.
NASA Astrophysics Data System (ADS)
Finkelstein, David Ritz; Shiri-Garakani, Mohsen
2011-06-01
We decontract the quantum harmonic oscillator dynamics to obtain a covariant finite quantum dynamics in quantum time. The usual central ("superselection") time results from a condensation of events. Dynamics results from an entanglement of the oscillator quantum variables with the quantum time variable. Unitarity necessarily fails, slightly for middle times but grossly near the beginning and end of time. Time and energy interconvert during space-time meltdown, at a rate governed by a regulant like the Planck power.
I. Rotter
2001-05-15
A relation between the eigenvalues of an effective Hamilton operator and the poles of the $S$ matrix is derived which holds for isolated as well as for overlapping resonance states. The system may be a many-particle quantum system with two-body forces between the constituents or it may be a quantum billiard without any two-body forces. Avoided crossings of discrete states as well as of resonance states are traced back to the existence of branch points in the complex plane. Under certain conditions, these branch points appear as double poles of the $S$ matrix. They influence the dynamics of open as well as of closed quantum systems. The dynamics of the two-level system is studied in detail analytically as well as numerically.
Koch, Christiane
Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using) Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random; published online 31 October 2013) Two-photon photoassociation of hot magnesium atoms by femtosecond laser
Iyengar, Srinivasan S.
i t = H Quantum dynamical studies on Soybean Lipoxygenase-1 Isaiah Sumner, Prasad Phatak the hydrogen tunneling problem in the active site of the biological enzyme, soybean lipoxygenase-1. Toward this that hydrogen tunneling plays a crucial role in enzyme catalysis for example in case of Soybean Lipoxygenase-1
NASA Astrophysics Data System (ADS)
Moin, Syed Tarique; Hofer, Thomas S.; Weiss, Alexander K. H.; Rode, Bernd M.
2013-07-01
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.
Time-Resolved Studies of Gain Dynamics in Quantum Cascade Laser
NASA Astrophysics Data System (ADS)
Choi, Hyunyong; Wu, Zong-Kwei; Norris, Theodore B.; Gresch, Tobias; Giovannini, Marcella; Faist, Jérôme; Diehl, Laurent; Capasso, Federico
2007-04-01
Time-resolved mid-infrared pump-probe measurements in an operating quantum cascade laser below and above threshold reveal gain recovery dynamics to be driven by transport through the quantum cascade structure with two components: relaxation within a stage on a sub-picosecond scale and transport between stages on a picosecond scale. The fast recovery corresponds to resonant tunneling from the injector ground state into the upper lasing state, and is found to be incoherent due to strong dephasing via intraband electron-electron scattering. The slower component corresponds to miniband superlattice transport. Both components have been studied as a function of bias and temperature.
Energetics and Dynamics of GaAs Epitaxial Growth via Quantum Wave Packet Studies
NASA Technical Reports Server (NTRS)
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).
Salman Habib; Tanmoy Bhattacharya; Andrew Doherty; Benjamin Greenbaum; Asa Hopkins; Kurt Jacobs; Hideo Mabuchi; Keith Schwab; Kosuke Shizume; Daniel Steck; Bala Sundaram
2005-05-07
The vast majority of the literature dealing with quantum dynamics is concerned with linear evolution of the wave function or the density matrix. A complete dynamical description requires a full understanding of the evolution of measured quantum systems, necessary to explain actual experimental results. The dynamics of such systems is intrinsically nonlinear even at the level of distribution functions, both classically as well as quantum mechanically. Aside from being physically more complete, this treatment reveals the existence of dynamical regimes, such as chaos, that have no counterpart in the linear case. Here, we present a short introductory review of some of these aspects, with a few illustrative results and examples.
Habib, S; Doherty, A; Greenbaum, B; Hopkins, A; Jacobs, K; Mabuchi, H; Schwab, K; Shizume, K; Steck, D; Sundaram, B; Habib, Salman; Bhattacharya, Tanmoy; Doherty, Andrew; Greenbaum, Benjamin; Hopkins, Asa; Jacobs, Kurt; Mabuchi, Hideo; Schwab, Keith; Shizume, Kosuke; Steck, Daniel; Sundaram, Bala
2005-01-01
The vast majority of the literature dealing with quantum dynamics is concerned with linear evolution of the wave function or the density matrix. A complete dynamical description requires a full understanding of the evolution of measured quantum systems, necessary to explain actual experimental results. The dynamics of such systems is intrinsically nonlinear even at the level of distribution functions, both classically as well as quantum mechanically. Aside from being physically more complete, this treatment reveals the existence of dynamical regimes, such as chaos, that have no counterpart in the linear case. Here, we present a short introductory review of some of these aspects, with a few illustrative results and examples.
Characterization of majorization monotone quantum dynamics
Haidong Yuan
2015-03-25
In this article I study the dynamics of open quantum system in Markovian environment. I give necessary and sufficient conditions for such dynamics to be majorization monotone, which are those dynamics always mixing the states.
Statistical properties of energy levels in quantum reaction dynamics: a case study
NASA Astrophysics Data System (ADS)
Peroncelli, Leonardo; Grossi, Gaia; Aquilanti, Vincenzo
2004-01-01
An account is presented of recent approaches to the characterization of the statistical properties of the energy level sequences of interest in quantum reaction dynamics. The case study of the quantum eigenvalues of the reactive process F+ H2? HF+ H as a function of the hyperradius (a measure of the total inertia of the three-body system) is illustrated. Previous work is extended by examining different angular momentum projection values for two recently proposed potential energy surfaces. We study spectral properties such as the standard deviation ? of the level spacings and the shape of the nearest-neighbour spacing distribution (NNSD), evaluating the q parameters of the Brody and Berry-Robnik distributions, which are alternative interpolations between the Poisson and the Wigner distributions. We also apply statistical tools, such as the ?3(L) of Dyson and Mehta) and the correlation coefficient C(r). This analysis, which is typical of current investigations on the topic of 'quantum chaos', gives insight into the nature of the reactive event and may be useful for the development of statistical theories in molecular dynamics.
Miller, J.; Miaskiewicz, K.; Osman, R.
1993-12-01
Studies of ring-saturated pyrimidine base lesions are used to illustrate an integrated modeling approach that combines quantum-chemical calculations with molecular dynamics simulation. Electronic-structure calculations on the lesions in Isolation reveal strong conformational preferences due to interactions between equatorial substituents to the pyrimidine ring. Large distortions of DNA should result when these interactions force the methyl group of thymine to assume an axial orientation, as is the case for thymine glycol but not for dihydrothymine. Molecular dynamics simulations of the dodecamer d(CGCGAATTCGCG){sub 2} with and without a ring-saturated thymine lesion at position T7 support this conclusion. Implications of these studies for recognition of thymine lesions by endonuclease III are also discussed.
Study of the dynamic behavior of quantum cellular automata in graphane nanoclusters
NASA Astrophysics Data System (ADS)
León, A.; Pacheco, M.
2011-03-01
The possible creation of architectures of quantum cellular automata formed by simple molecules opens a very promising and interesting area of research due to the possibility of going beyond the current limits of miniaturization and integration of devices. In this research we theoretically study the electronic properties of a quan- tum dot array in graphene nanoribbons and in an array of molecules with graphane structures. The role of quantum dots in the ribbons and in the mole- cules is played by oxide reduction centers that can trap or release electrons. With the knowledge about these properties we design cellular automata archi- tectures with nanoribbons and molecular arrays, with this it will be feasible to store and process logic information at room temperature. The stability of the proposed graphene structures are studied using quan- tum methods of geometric optimization [1]. The electronic properties of the nanoribbons are obtained from first-principle calculations based on pseudo- potentials by using the generalized gradient approximation (GGA) of Perdew- Burke-Ernzerhof [2-3]. With the parameters obtained from the study of the electronic properties of the cells that make up the automata, we can make a simulation of the dynamical response of the system. To do this, we use a set of accelerated algorithms for discrete systems [4] based on the Glauber dynamic [5]. Our results show that the studied system can be scaled so that the propagation of digital information throughout the automata is possible at room temperature.
A quantum dynamics study of the benzopyran ring opening guided by laser pulses
NASA Astrophysics Data System (ADS)
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.
Systematic study of 16O-induced fusions with the improved quantum molecular dynamics model
Ning Wang; Kai Zhao; Zhuxia Li
2014-11-12
The heavy-ion fusion reactions with 16O bombarding on 62Ni, 65Cu, 74Ge, 148Nd, 180Hf, 186W, 208Pb, 238U are systematically investigated with the improved quantum molecular dynamics (ImQMD) model. The fusion cross sections at energies near and above the Coulomb barriers can be reasonably well reproduced by using this semi-classical microscopic transport model with the parameter sets SkP* and IQ3a. The dynamical nucleus-nucleus potentials and the influence of Fermi constraint on the fusion process are also studied simultaneously. In addition to the mean field, the Fermi constraint also plays a key role for the reliable description of fusion process and for improving the stability of fragments in heavy-ion collisions.
Ortiz-Sanchez, Juan Manuel; Gelabert, Ricard; Moreno, Miquel; Lluch, Jose M.
2008-12-07
The ultrafast proton transfer dynamics of salicylideneaniline has been theoretically analyzed in the ground and first singlet excited electronic states using density functional theory (DFT) and time-dependent DFT calculations, which predict a ({pi},{pi}*) barrierless excited state intramolecular proton transfer (ESIPT). In addition to this, the photochemistry of salicylideneaniline is experimentally known to present fast depopulation processes of the photoexcited species before and after the proton transfer reaction. Such processes are explained by means of conical intersections between the ground and first singlet ({pi},{pi}*) excited electronic states. The electronic energies obtained by the time-dependent density functional theory formalism have been fitted to a monodimensional potential energy surface in order to perform quantum dynamics study of the processes. Our results show that the proton transfer and deactivation of the photoexcited species before the ESIPT processes are completed within 49.6 and 37.7 fs, respectively, which is in remarkable good agreement with experiments.
NASA Astrophysics Data System (ADS)
Canaval, Lorenz R.; Passler, Peter P.; Rode, Bernd M.
2015-04-01
The quantum mechanical charge-field molecular dynamics (QMCF-MD) simulation method was employed to study the hydration properties of gadolinium(III) and terbium(III). Slight differences of the solvation shells' structural and dynamical properties were discovered. While the Lnsbnd O radial distribution functions are in excellent agreement with recent experiments, average coordination numbers of 8.5 (Gd) and 8.4 (Tb) were found. Vivid ligand exchange dynamics along with rapid intrashell rearrangements were observed, underlined by mean residence times in the picosecond range, which is characteristic for trivalent lanthanoides according to quantum mechanical simulations. Vibrational analysis yielded ion-water force constants below 100 N m-1.
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface
Liu, Tianhui; Fu, Bina E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn
2014-04-14
We carried out six-dimensional quantum dynamics calculations for the dissociative adsorption of deuterium chloride (DCl) on Au(111) surface using the initial state-selected time-dependent wave packet approach. The four-dimensional dissociation probabilities are also obtained with the center of mass of DCl fixed at various sites. These calculations were all performed based on an accurate potential energy surface recently constructed by neural network fitting to density function theory energy points. The origin of the extremely small dissociation probability for DCl/HCl (v = 0, j = 0) fixed at the top site compared to other fixed sites is elucidated in this study. The influence of vibrational excitation and rotational orientation of DCl on the reactivity was investigated by calculating six-dimensional dissociation probabilities. The vibrational excitation of DCl enhances the reactivity substantially and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. The site-averaged dissociation probability over 25 fixed sites obtained from four-dimensional quantum dynamics calculations can accurately reproduce the six-dimensional dissociation probability.
Information dynamics in quantum theory
Piotr Garbaczewski
2006-12-18
Shannon entropy and Fisher information functionals are known to quantify certain information-theoretic properties of continuous probability distributions of various origins. We carry out a systematic study of these functionals, while assuming that the pertinent probability density has a quantum mechanical appearance $\\rho \\doteq |\\psi |^2$, with $\\psi \\in L^2(R)$. Their behavior in time, due to the quantum Schr\\"{o}dinger picture evolution-induced dynamics of $\\rho (x,t)$ is investigated as well, with an emphasis on thermodynamical features of quantum motion.
Transport and dynamics on open quantum graphs
Felipe Barra; Pierre Gaspard
2001-07-13
We study the classical limit of quantum mechanics on graphs by introducing a Wigner function for graphs. The classical dynamics is compared to the quantum dynamics obtained from the propagator. In particular we consider extended open graphs whose classical dynamics generate a diffusion process. The transport properties of the classical system are revealed in the scattering resonances and in the time evolution of the quantum system.
Fominov, Yakov
Quantum dynamics in aQuantum dynamics in aQuantum dynamics in aQuantum dynamics shape for a macroscopic quantum system : Phase qubit: - quantum dynamics - decoherence process line and coherent oscillations 3. Decoherence sources #12;Ib b SQUID: two dimensional dynamics
Constructing quantum dynamics from mixed quantum-classical descriptions
NASA Astrophysics Data System (ADS)
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.
Hydration of the cyanide ion: an ab initio quantum mechanical charge field molecular dynamics study.
Moin, Syed Tarique; Hofer, Thomas S
2014-12-21
This paper presents an ab initio quantum mechanical charge field molecular dynamics simulation study of the cyanide anion (CN(-)) in aqueous solution where hydrogen bond formation plays a dominant role in the hydration process. Preferential orientation of water hydrogens compared to oxygen atoms was quantified in terms of radial, angular as well as coordination number distributions. All structural results indicate that the water hydrogens are attracted towards CN(-) atoms, thus contributing to the formation of the hydration layer. Moreover, a clear picture of the local arrangement of water molecules around the ellipsoidal CN(-) ion is provided via angular-radial distribution and spatial distribution functions. Apart from the structural analysis, the evaluation of water dynamics in terms of ligand mean residence times and H-bond correlation functions indicates the weak structure making capacity of the CN(-) ion. The similar values of H-bond lifetimes obtained for the NHwat and CHwat bonds indicate an isokinetic behaviour of these H-bonds, since there is a very small difference in the magnitude of the lifetimes. On the other hand, the H-bond lifetimes between water molecules of the hydration shell, and between solute and solvent evidence the slightly stable hydration of the CN(-). Overall, the H-bonding dominates in the hydration process of the cyanide anion enabling it to become soluble in the aqueous environment associated to chemical and biological processes. PMID:25360541
NASA Astrophysics Data System (ADS)
Smith, James Sherwood
A combination of computational chemistry and molecular dynamics (MD) approaches was used to study two polymer-nanoparticle composite (PNPC) systems, first a model bead spring polymer with spherical nanoparticles and generalized interactions, and second, a Poly(dimethylsiloxane) (PDMS)-silica system with accurate quantum chemistry (QC) based force fields. The following molecular processes, which are fundamental to the reinforcement of polymer-nanoparticle composites (PNPC), were studied: (1) the effect of nanoparticle-polymer interactions and polymer molecular weight on nanoparticle dispersion and distribution, (2) the free energy and conformational changes when stretching individual PDMS chains in a melt, and (3) the effect of silica fillers with different surface modifications on the properties of PDMS chains at the interface. In the model PNPC consisting of spherical nanoparticles in a bead-spring polymer melt, it was found that when the polymer-nanoparticle interactions were relatively weak the polymer matrix promoted nanoparticle aggregation. Increasingly attractive nanoparticle-polymer interactions led to strong adsorption of the polymer chains on the surface of the nanoparticles and promoted dispersion of the nanoparticles and were independent of polymer molecular weight. A classical force field for PDMS and its oligomers has been derived on the basis of intermolecular binding energies, molecular geometries, molecular electrostatic potentials, and conformational energies obtained from quantum chemistry calculations and in MD simulations and it accurately reproduces the properties of PDMS melts of various molecular weights. MD simulations using umbrella sampling methods to sample the free energy of stretching a PDMS oligomer in a melt of PDMS oligomers found that the restoring forces were mainly a result of the changes in entropy of the chain as the chain was contracted or stretched, and only at severe extensions did energetic contributions due to deformation of internal bends make a significant contribution to the free energy. Finally, MD simulations of PDMS with silica and modified silica surfaces that accurately predicted the changes in PDMS dynamics with the addition of SiO2 observed in quasielastic neutron scattering experiments. Surface modifications of the silica particles affected the PDMS chain dynamics but no significant hydrogen bonding was observed in the MD simulations of PDMS near silica surfaces.
NASA Astrophysics Data System (ADS)
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.
Dynamical origin of quantum probabilities
NASA Astrophysics Data System (ADS)
Valentini, Antony; Westman, Hans
2005-01-01
We study the origin of the Born probability rule ? = |?|2 in the de Broglie-Bohm pilot-wave formulation of quantum theory. It is argued that quantum probabilities arise dynamically, and have a status similar to thermal probabilities in ordinary statistical mechanics. This is illustrated by numerical simulations for a two-dimensional system. We show that a simple initial ensemble, with a non-standard distribution ? ? |?|2 of particle positions, evolves towards the quantum distribution to high accuracy. The relaxation process ? ? |?|2 is quantified in terms of a coarse-grained H-function (equal to minus the relative entropy of ? with respect to |?|2), which is found to decrease approximately exponentially over time, with a time constant that accords with a simple theoretical estimate.
A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase
Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi
2014-10-06
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.
An, Heesun; Choi, Heechol; Lee, Yoon Sup; Baeck, Kyoung Koo
2015-05-18
The photodissociation dynamics of thiophenol (PhSH) excited to the 1(1) ??* state was investigated by time-dependent quantum wavepacket propagation within two-dimensional (2D) space consisting of the S-H bond and -SH torsion. We systematically studied the dependence of the branching ratio (Ã/X(~)) between the two electronic states of the phenylthiyl radical (PhS(.) ) on several factors of the 2D potential energy surfaces (PESs). The effect of a reduced initial barrier to the first ??*/??* conical intersection (CI) was found to be marginal, whereas the effects of a reduced torsional barrier of -SH on the excited ??* state and the mitigated slope of the ??* PES between the first (??*/??*) and the second (??*/S0 ) CIs were noticeable. The effect of the slope on the branching ratio has never been previously noticed. It was shown that the branching ratio can be sufficiently above unity without pre-excitation of the torsion mode of -SH, which has been assumed so far. PMID:25756225
Zeno dynamics in quantum open systems
Zhang, Yu-Ran; Fan, Heng
2015-01-01
Quantum Zeno effect shows that frequent observations can slow down or even stop the unitary time evolution of an unstable quantum system. This effect can also be regarded as a physical consequence of the statistical indistinguishability of neighboring quantum states. The accessibility of quantum Zeno dynamics under unitary time evolution can be quantitatively estimated by quantum Zeno time in terms of Fisher information. In this work, we investigate the accessibility of quantum Zeno dynamics in quantum open systems by calculating noisy Fisher information when a trace preserving and completely positive map is assumed. We firstly study the consequences of non-Markovian noise on quantum Zeno effect and give the exact forms of the dissipative Fisher information and the quantum Zeno time. Then, for the operator-sum representation, an achievable upper bound of the quantum Zeno time is given with the help of the results in noisy quantum metrology. It is of significance that the noise reducing the accuracy in the entanglement-enhanced parameter estimation can conversely be favorable for the accessibility of quantum Zeno dynamics of entangled states. PMID:26099840
Zeno dynamics in quantum open systems.
Zhang, Yu-Ran; Fan, Heng
2015-01-01
Quantum Zeno effect shows that frequent observations can slow down or even stop the unitary time evolution of an unstable quantum system. This effect can also be regarded as a physical consequence of the statistical indistinguishability of neighboring quantum states. The accessibility of quantum Zeno dynamics under unitary time evolution can be quantitatively estimated by quantum Zeno time in terms of Fisher information. In this work, we investigate the accessibility of quantum Zeno dynamics in quantum open systems by calculating noisy Fisher information when a trace preserving and completely positive map is assumed. We firstly study the consequences of non-Markovian noise on quantum Zeno effect and give the exact forms of the dissipative Fisher information and the quantum Zeno time. Then, for the operator-sum representation, an achievable upper bound of the quantum Zeno time is given with the help of the results in noisy quantum metrology. It is of significance that the noise reducing the accuracy in the entanglement-enhanced parameter estimation can conversely be favorable for the accessibility of quantum Zeno dynamics of entangled states. PMID:26099840
Zeno dynamics in quantum open systems
NASA Astrophysics Data System (ADS)
Zhang, Yu-Ran; Fan, Heng
2015-06-01
Quantum Zeno effect shows that frequent observations can slow down or even stop the unitary time evolution of an unstable quantum system. This effect can also be regarded as a physical consequence of the statistical indistinguishability of neighboring quantum states. The accessibility of quantum Zeno dynamics under unitary time evolution can be quantitatively estimated by quantum Zeno time in terms of Fisher information. In this work, we investigate the accessibility of quantum Zeno dynamics in quantum open systems by calculating noisy Fisher information when a trace preserving and completely positive map is assumed. We firstly study the consequences of non-Markovian noise on quantum Zeno effect and give the exact forms of the dissipative Fisher information and the quantum Zeno time. Then, for the operator-sum representation, an achievable upper bound of the quantum Zeno time is given with the help of the results in noisy quantum metrology. It is of significance that the noise reducing the accuracy in the entanglement-enhanced parameter estimation can conversely be favorable for the accessibility of quantum Zeno dynamics of entangled states.
Wu, Jianlan
We apply a new formalism to derive the higher-order quantum kinetic expansion (QKE) for studying dissipative dynamics in a general quantum network coupled with an arbitrary thermal bath. The dynamics of system population ...
Quantum emitters dynamically coupled to a quantum field
Acevedo, O. L.; Quiroga, L.; Rodríguez, F. J.; Johnson, N. F.
2013-12-04
We study theoretically the dynamical response of a set of solid-state quantum emitters arbitrarily coupled to a single-mode microcavity system. Ramping the matter-field coupling strength in round trips, we quantify the hysteresis or irreversible quantum dynamics. The matter-field system is modeled as a finite-size Dicke model which has previously been used to describe equilibrium (including quantum phase transition) properties of systems such as quantum dots in a microcavity. Here we extend this model to address non-equilibrium situations. Analyzing the system’s quantum fidelity, we find that the near-adiabatic regime exhibits the richest phenomena, with a strong asymmetry in the internal collective dynamics depending on which phase is chosen as the starting point. We also explore signatures of the crossing of the critical points on the radiation subsystem by monitoring its Wigner function; then, the subsystem can exhibit the emergence of non-classicality and complexity.
Quantum dynamics in dual spaces
Sudarshan, E.C.G.
1993-12-31
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.
Dynamical quantum depletion in polariton condensates
NASA Astrophysics Data System (ADS)
Koghee, Selma; Wouters, Michiel
2015-11-01
We present a theoretical study of the quantum depletion of microcavity polaritons that are excited with a resonant laser pulse. The dynamics of the quantum fluctuations are interpreted in the context of quantum quenches in general and in terms of the dynamical Casimir effect in particular. We compute the time evolution of the first- and second-order correlation functions of the polariton condensate. Our theoretical modeling is based on the truncated Wigner approximation for interacting Bose gases. For homogeneous systems, analytical results are obtained in the linearized Bogoliubov approximation. Inhomogeneous systems are studied numerically by Monte Carlo simulations.
Quantum speed limit for noisy dynamics
Haidong Yuan; Chi-Hang Fred Fung
2016-01-02
The laws of quantum physics place a limit on the speed of computation, in particular the evolution time of a system cannot be arbitrarily fast. Bounds on the speed of evolution for unitary dynamics have been long studied. A few bounds on the speed of evolution for noisy dynamics have also been obtained recently, these bounds, however, are in general not tight. In this article we present a new framework for quantum speed limit of noisy dynamics. With this framework we obtain the exact maximal angle that a noisy dynamics can achieve at any given time, this then provides tight bounds on the evolution time for noisy dynamics. The obtained bound reveals that noisy dynamics are generically different from unitary dynamics, in particular we show that the 'orthogonalization' time, which is the minimum time needed to evolve any state to its orthogonal states, is in general not applicable to noisy dynamics.
Semiclassical analysis of quantum dynamics
Siyang Yang
2011-11-15
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using trajectories have achieved great successes in the computer simulations of various systems, but it is difficult to incorporate quantum effects in a robust way. Therefore, improving quantum wavepacket dynamics and incorporating nonadiabatic transitions and quantum effects into classical and semi-classical molecular dynamics is critical as well as challenging. In this paper, we present a MD scheme in which a new set of equations of motion (EOM) are proposed to effectively propagate nuclear trajectories while conserving quantum mechanical energy which is critical for describing quantum effects like tunneling. The new quantum EOM is tested on a one-state one-dimensional and a two-state two-dimensional model nonadiabatic systems. The global quantum force experienced by each trajectory promotes energy redistribution among the bundle of trajectories, and thus helps the individual trajectory tunnel through the potential barrier higher than the energy of the trajectory itself. Construction of the new quantum force and EOM also provides a better way to treat the issue of back-reaction in mixed quantum-classical (MQC) methods, i.e. self-consistency between quantum degrees of freedom (DOF) and classical DOF.
An eight-dimensional quantum dynamics study of the Cl + CH4? HCl + CH3 reaction
NASA Astrophysics Data System (ADS)
Liu, Na; Yang, Minghui
2015-10-01
In this work, the later-barrier reaction Cl + CH4 ? HCl + CH3 is investigated with an eight-dimensional quantum dynamics method [R. Liu et al., J. Chem. Phys. 137, 174113 (2012)] on the ab initio potential energy surface of Czakó and Bowman [J. Chem. Phys. 136, 044307 (2012)]. The reaction probabilities with CH4 initially in its ground and vibrationally excited states are calculated with a time-dependent wavepacket method. The theoretical integral cross sections (ICSs) are extensively compared with the available experimental measurements. For the ground state reaction, the theoretical ICSs excellently agree with the experimental ones. The good agreements are also achieved for ratios between ICSs of excited reactions. For ICS ratios between various states, the theoretical values are also consistent with the experimental observations. The rate constants over 200-2000 K are calculated and the non-Arrhenius effect has been observed which is coincident with the previous experimental observations and theoretical calculations.
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface
Liu, Tianhui; Fu, Bina; Zhang, Dong H.
2013-11-14
The six-dimensional quantum dynamics calculations for the dissociative chemisorption of HCl on Au(111) are carried out using the time-dependent wave-packet approach, based on an accurate PES which was recently developed by neural network fitting to density functional theory energy points. The influence of vibrational excitation and rotational orientation of HCl on the reactivity is investigated by calculating the exact six-dimensional dissociation probabilities, as well as the four-dimensional fixed-site dissociation probabilities. The vibrational excitation of HCl enhances the reactivity and the helicopter orientation yields higher dissociation probability than the cartwheel orientation. A new interesting site-averaged effect is found for the title molecule-surface system that one can essentially reproduce the six-dimensional dissociation probability by averaging the four-dimensional dissociation probabilities over 25 fixed sites.
NASA Astrophysics Data System (ADS)
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.
Saieswari Amaran; Ronnie Kosloff; Micha? Tomza; Wojciech Skomorowski; Filip Pawlowski; Robert Moszynski; Leonid Rybak; Liat Levin; Zohar Amitay; J. Martin Berglund; Daniel M. Reich; Christiane P. Koch
2013-10-31
Two-photon photoassociation of hot magnesium atoms by femtosecond laser pulses, creating electronically excited magnesium dimer molecules, is studied from first principles, combining \\textit{ab initio} quantum chemistry and molecular quantum dynamics. This theoretical framework allows for rationalizing the generation of molecular rovibrational coherence from thermally hot atoms [L. Rybak \\textit{et al.}, Phys. Rev. Lett. {\\bf 107}, 273001 (2011)]. Random phase thermal wave functions are employed to model the thermal ensemble of hot colliding atoms. Comparing two different choices of basis functions, random phase wavefunctions built from eigenstates are found to have the fastest convergence for the photoassociation yield. The interaction of the colliding atoms with a femtosecond laser pulse is modeled non-perturbatively to account for strong-field effects.
Amaran, Saieswari; Kosloff, Ronnie; Tomza, Micha?; Skomorowski, Wojciech; Paw?owski, Filip; Moszynski, Robert; Rybak, Leonid; Levin, Liat; Amitay, Zohar; Berglund, J. Martin; Reich, Daniel M.; Koch, Christiane P.
2013-10-28
Two-photon photoassociation of hot magnesium atoms by femtosecond laser pulses, creating electronically excited magnesium dimer molecules, is studied from first principles, combining ab initio quantum chemistry and molecular quantum dynamics. This theoretical framework allows for rationalizing the generation of molecular rovibrational coherence from thermally hot atoms [L. Rybak, S. Amaran, L. Levin, M. Tomza, R. Moszynski, R. Kosloff, C. P. Koch, and Z. Amitay, Phys. Rev. Lett. 107, 273001 (2011)]. Random phase thermal wavefunctions are employed to model the thermal ensemble of hot colliding atoms. Comparing two different choices of basis functions, random phase wavefunctions built from eigenstates are found to have the fastest convergence for the photoassociation yield. The interaction of the colliding atoms with a femtosecond laser pulse is modeled non-perturbatively to account for strong-field effects.
Quantum discord dynamics in structured reservoirs
Z. -K. Su; S. -J. Jiang
2011-05-25
The non-Markovian master equations are derived to study quantum discord dynamics of two qubits coupled to a common reservoir and two independent reservoirs, respectively. We compare the dynamics under different parameters, such as reservoir spectra and resonant parameters, at high temperature and at zero temperature. The results indicate that the dynamics at these two extreme temperatures share similar characters, as well as differences.
Dynamical evaporation of quantum horizons
Daniele Pranzetti
2013-07-15
We describe the black hole evaporation process driven by the dynamical evolution of the quantum gravitational degrees of freedom resident at the horizon, as identified by the loop quantum gravity kinematics. Using a parallel with the Brownian motion, we interpret the first law of quantum dynamical horizon in terms of a fluctuation-dissipation relation. In this way, the horizon evolution is described in terms of relaxation to an equilibrium state balanced by the excitation of Planck scale constituents of the horizon. This discrete quantum hair structure associated to the horizon geometry produces a deviation from thermality in the radiation spectrum. We investigate the final stage of the evaporation process and show how the dynamics leads to the formation of a massive remnant, which can eventually decay. Implications for the information paradox are discussed.
Effective equations for quantum dynamics
Benjamin Schlein
2012-08-01
We report on recent results concerning the derivation of effective evolution equations starting from many body quantum dynamics. In particular, we obtain rigorous derivations of nonlinear Hartree equations in the bosonic mean field limit, with precise bounds on the rate of convergence. Moreover, we present a central limit theorem for the fluctuations around the Hartree dynamics.
Nonlinear Schrödinger equation and dissipative quantum dynamics in periodic fields
Chu, Shih-I; Huang, Youhong; Hirschfelder, Joseph O.
1989-10-15
The nonlinear dynamics of dissipative quantum systems in periodic fields is studied in the framework of a Gisin-like nonlinear Schrödinger equation with deterministic nonunitary quantum friction terms describing the system-bath couplings. The virtue...
Dynamical Objectivity in Quantum Brownian Motion
J. Tuziemski; J. K. Korbicz
2015-11-17
Classical objectivity as a property of quantum states---a view proposed to explain the observer-independent character of our world from quantum theory, is an important step in bridging the quantum-classical gap. It was recently derived in terms of spectrum broadcast structures for small objects embedded in noisy photon-like environments. However, two fundamental problems have arisen: a description of objective motion and applicability to other types of environments. Here we derive an example of objective states of motion in quantum mechanics by showing a formation of dynamical spectrum broadcast structures in the celebrated, realistic model of decoherence---Quantum Brownian Motion. We do it for realistic, thermal environments and show their noise-robustness. This opens a potentially new method of studying quantum-to-classical transition.
Li, Dafang; Liu, Haitao; Zeng, Siliang; Wang, Cong; Wu, Zeqing; Zhang, Ping; Yan, Jun
2014-01-01
By performing quantum molecular dynamics (QMD) simulations, we investigate the equation of states, electrical and optical properties of the expanded beryllium at densities two to one-hundred lower than the normal solid density, and temperatures ranging from 5000 to 30000?K. With decreasing the density of Be, the optical response evolves from the one characteristic of a simple metal to the one of an atomic fluid. By fitting the optical conductivity spectra with the Drude-Smith model, it is found that the conducting electrons become localized at lower densities. In addition, the negative derivative of the electrical resistivity on temperature at density about eight lower than the normal solid density demonstrates that the metal to nonmetal transition takes place in the expanded Be. To interpret this transition, the electronic density of states is analyzed systematically. Furthermore, a direct comparison of the Rosseland opacity obtained by using QMD and the standard opacity code demonstrates that QMD provides a powerful tool to validate plasma models used in atomic physics approaches in the warm dense matter regime. PMID:25081816
Quantum dynamics study of the reaction HD+OH{r_arrow}H+DOH, D+HOH
Zhang, D.H.; Zhang, J.Z.H.; Zhang, Y.; Wang, D.; Zhang, Q.
1995-05-15
Accurate time-dependent (TD) quantum wavepacket calculations are reported for the combustion reaction HD+OH. Due to the lack of symmetry, the HD+OH reaction has roughly twice the number of channels of the corresponding H{sub 2}+OH reaction and produces two distinguishable products--HOH and HOD. In order to make the TD calculation possible on workstations with limited memories, we employed a normalized quadrature scheme in the wavepacket propagation by the split-operator propagator. The normalized quadrature scheme eliminates the need to store large matrices during the wavepacket propagation while preserving the unitarity of the split-operator propagator and producing numerically stable results. This approach made TD dynamics calculations possible on small-memory workstations for the title reaction and for other polyatomic reactions. Reaction probabilities, cross sections, rate constants, and reaction branching ratios are reported in this paper for the title reaction. The observed strong dependence of the reaction probabilities on the reactive HD rotation and the relative weak dependence on the nonreactive OH rotation are explained in terms of a steric effect. The isotope effect in the branching ratio is examined and physical explanation is given for the observed branching ratio at low and high kinetic energies.
Li, Dafang; Liu, Haitao; Zeng, Siliang; Wang, Cong; Wu, Zeqing; Zhang, Ping; Yan, Jun
2014-01-01
By performing quantum molecular dynamics (QMD) simulations, we investigate the equation of states, electrical and optical properties of the expanded beryllium at densities two to one-hundred lower than the normal solid density, and temperatures ranging from 5000 to 30000 K. With decreasing the density of Be, the optical response evolves from the one characteristic of a simple metal to the one of an atomic fluid. By fitting the optical conductivity spectra with the Drude-Smith model, it is found that the conducting electrons become localized at lower densities. In addition, the negative derivative of the electrical resistivity on temperature at density about eight lower than the normal solid density demonstrates that the metal to nonmetal transition takes place in the expanded Be. To interpret this transition, the electronic density of states is analyzed systematically. Furthermore, a direct comparison of the Rosseland opacity obtained by using QMD and the standard opacity code demonstrates that QMD provides a powerful tool to validate plasma models used in atomic physics approaches in the warm dense matter regime. PMID:25081816
Reynolds, J.
1997-10-08
Using high-accuracy numerical methods the author investigates the dynamics of independent electrons in both ideal and realistic superlattices subject to arbitrary ac and/or dc electric fields. For a variety of superlattice potentials, optically excited initial wave packets, and combinations of ac and dc electric fields, he numerically solves the time-dependent Schroedinger equation. In the case of ideal periodic superlattice potentials, he investigates a long list of dynamical phenomena involving multiple miniband transitions and time-dependent electric fields. These include acceleration effects associated with interminiband transitions in strong fields, Zener resonances between minibands, dynamic localization with ac fields, increased single-miniband transport with an auxiliary resonant ac field, and enhanced or suppressed interminiband probability exchange using an auxiliary ac field. For all of the cases studied, the resulting time-dependent wave function is analyzed by projecting the data onto convenient orthonormal bases. This allows a detailed comparison with approximately analytic treatments. In an effort to explain the rapid decay of experimentally measured Bloch oscillation (BO) signals the author incorporates a one-dimensional representation of interface roughness (IR) into their superlattice potential. He shows that as a result of IR, the electron dynamics can be characterized in terms of many discrete, incommensurate frequencies near the Block frequency. Chapters 2, 3, 4 and 5 have been removed from this report and will be processed separately.
Isotropy and control of dissipative quantum dynamics
Benjamin Dive; Daniel Burgarth; Florian Mintert
2015-09-23
We investigate the problem of what evolutions an open quantum system with Hamiltonian controls can undergo. A series of no-go theorems which exclude channels from being reachable, and an expression for the required evolution time, are given by considering noisy dynamics as an anisotropic flow in state space. As well as studying examples of the strength of these criteria in control theory, we explore their relation with existing approaches and links with quantum thermodynamics.
Reeves, Kyle G; Schleife, André; Correa, Alfredo A; Kanai, Yosuke
2015-10-14
The role of surface termination on phonon-mediated relaxation of an excited electron in quantum dots was investigated using first-principles simulations. The surface terminations of a silicon quantum dot with hydrogen and fluorine atoms lead to distinctively different relaxation behaviors, and the fluorine termination shows a nontrivial relaxation process. The quantum confined electronic states are significantly affected by the surface of the quantum dot, and we find that a particular electronic state dictates the relaxation behavior through its infrequent coupling to neighboring electronic states. Dynamical fluctuation of this electronic state results in a slow shuttling behavior within the manifold of unoccupied electronic states, controlling the overall dynamics of the excited electron with its characteristic frequency of this shuttling behavior. The present work revealed a unique role of surface termination, dictating the hot electron relaxation process in quantum-confined systems in the way that has not been considered previously. PMID:26331672
Dynamical Correspondence in a Generalized Quantum Theory
Gerd Niestegge
2015-03-06
In order to figure out why quantum physics needs the complex Hilbert space, many attempts have been made to distinguish the C*-algebras and von Neumann algebras in more general classes of abstractly defined Jordan algebras (JB- and JBW-algebras). One particularly important distinguishing property was identified by Alfsen and Shultz and is the existence of a dynamical correspondence. It reproduces the dual role of the selfadjoint operators as observables and generators of dynamical groups in quantum mechanics. In the paper, this concept is extended to another class of nonassociative algebras, arising from recent studies of the quantum logics with a conditional probability calculus and particularly of those that rule out third-order interference. The conditional probability calculus is a mathematical model of the Lueders-von Neumann quantum measurement process, and third-order interference is a property of the conditional probabilities which was discovered by R. Sorkin in 1994 and which is ruled out by quantum mechanics. It is shown then that the postulates that a dynamical correspondence exists and that the square of any algebra element is positive still characterize, in the class considered, those algebras that emerge from the selfadjoint parts of C*-algebras equipped with the Jordan product. Within this class, the two postulates thus result in ordinary quantum mechanics using the complex Hilbert space or, vice versa, a genuine generalization of quantum theory must omit at least one of them.
Dynamical Correspondence in a Generalized Quantum Theory
NASA Astrophysics Data System (ADS)
Niestegge, Gerd
2015-05-01
In order to figure out why quantum physics needs the complex Hilbert space, many attempts have been made to distinguish the C*-algebras and von Neumann algebras in more general classes of abstractly defined Jordan algebras (JB- and JBW-algebras). One particularly important distinguishing property was identified by Alfsen and Shultz and is the existence of a dynamical correspondence. It reproduces the dual role of the selfadjoint operators as observables and generators of dynamical groups in quantum mechanics. In the paper, this concept is extended to another class of nonassociative algebras, arising from recent studies of the quantum logics with a conditional probability calculus and particularly of those that rule out third-order interference. The conditional probability calculus is a mathematical model of the Lüders-von Neumann quantum measurement process, and third-order interference is a property of the conditional probabilities which was discovered by Sorkin (Mod Phys Lett A 9:3119-3127, 1994) and which is ruled out by quantum mechanics. It is shown then that the postulates that a dynamical correspondence exists and that the square of any algebra element is positive still characterize, in the class considered, those algebras that emerge from the selfadjoint parts of C*-algebras equipped with the Jordan product. Within this class, the two postulates thus result in ordinary quantum mechanics using the complex Hilbert space or, vice versa, a genuine generalization of quantum theory must omit at least one of them.
Theoretical Studies of the Structure and Dynamics of Quantum Liquid Clusters
NASA Astrophysics Data System (ADS)
McMahon, Michele Ann
Quantum clusters of He and Hz are systems displaying both quantum and finite-size properties. Using variational and diffusion Monte Carlo, we investigate the energetics and structures of a variety of pure and doped clusters. First, we present results for the ground states of He _7 and (H_2)_{N } (N = 6, 7, 13 and 33). Both helium and hydrogen clusters are highly non-classical, but, because of the weaker He-He binding, H_{N} is more delocalized than (H_2)_ {N}. The He clusters are generally structureless spheres with highest particle density near the center. Although still spherical, (H_2)_{N} clusters show some internal structure with residual five-fold symmetry. We next study the rotational states of He_7 and (H_2) _7. As the angular momentum increases, these clusters evolve from spherical to toroidal. By L = 2 for He_7 and L = 6 for (H_2) _7, the clusters become metastable with respect to loss of one particle. The addition of a strongly binding dopant molecule, such as SF_6, induces structuring of the He density into solvation shells about the impurity. We demonstrate that SF_6 is located near the cluster center in He_{39,40 }. We study trial function bias and DMC convergence, showing that the amount of Monte Carlo sampling needed to converge the impurity location is much greater than for He. This distinction may explain discrepancies found in the literature. Our study of Cl_2He _{N} (N = 1, 6 and 20), contrasts isotropic and anisotropic treatments as well as the L = 0 and L = 2 rotational states. The inclusion of anisotropy lowers energies because of the gamma = pi/2 minimum in the Cl_2 -He potential. rm Cl_2H_6 has a ring of helium density, about the Cl-Cl bond, that is largely unchanged from the L = 0 to the L = 2 state. For rm Cl_2He_{20}, the helium density surrounds the central Cl_2 molecule, and both the He and Cl_2 densities delocalize under rotation. Investigation of energy transfer from an excited impurity to an embedding cluster sheds light on the quantum cluster environment. We present a new Golden Rule-based method which uses Laplace transform and DMC techniques to calculate linewidths and energy differences for energy transfer processes. Results are shown for a harmonic oscillator and for impurity-to-cluster transfer in rm Cl_2He_6. This method is general and requires no explicit knowledge of final states.
Efficient Quantum Computing of Complex Dynamics
Giuliano Benenti; Giulio Casati; Simone Montangero; Dima L. Shepelyansky
2001-07-06
We propose a quantum algorithm which uses the number of qubits in an optimal way and efficiently simulates a physical model with rich and complex dynamics described by the quantum sawtooth map. The numerical study of the effect of static imperfections in the quantum computer hardware shows that the main elements of the phase space structures are accurately reproduced up to a time scale which is polynomial in the number of qubits. The errors generated by these imperfections are more dangerous than the errors of random noise in gate operations.
The Problem of Dynamics in Quantum Gravity
Baez, John
The Problem of Dynamics in Quantum Gravity John C. Baez Workshop on Quantum Gravity in the Americas Perimeter Institute October 29, 2004 1 #12;The problem of dynamics in quantum gravity is still a big chal to a true vacuum. Super- symmetry breaking is also poorly understood. · Loop quantum gravity has found
The Problem of Dynamics in Quantum Gravity
Baez, John
The Problem of Dynamics in Quantum Gravity John C. Baez Workshop on Quantum Gravity in the Americas Perimeter Institute October 29, 2004 1 #12; The problem of dynamics in quantum gravity is still a big chal to a true vacuum. Super symmetry breaking is also poorly understood. . Loop quantum gravity has found
Relaxation dynamics in correlated quantum dots
Andergassen, S.; Schuricht, D.; Pletyukhov, M.; Schoeller, H.
2014-12-04
We study quantum many-body effects on the real-time evolution of the current through quantum dots. By using a non-equilibrium renormalization group approach, we provide analytic results for the relaxation dynamics into the stationary state and identify the microscopic cutoff scales that determine the transport rates. We find rich non-equilibrium physics induced by the interplay of the different energy scales. While the short-time limit is governed by universal dynamics, the long-time behavior features characteristic oscillations as well as an interplay of exponential and power-law decay.
Seven-degree-of-freedom, quantum scattering dynamics study of the H2D++H2 reaction
NASA Astrophysics Data System (ADS)
Wang, Dunyou; Xie, Zhen; Bowman, Joel M.
2010-02-01
A quantum scattering dynamics, time-dependent wavepacket propagation method is applied to study the reaction of H2D++H2?H3++HD on the Xie-Braams-Bowman potential energy surface. The reduced-dimensional, seven-degree-of-freedom approach is employed in this calculation by fixing one Jacobi and one torsion angle related to H2D+ at the lowest saddle point geometry of D2d on the potential energy surface. Initial state selected reaction probabilities are presented for various initial rovibrational states. The ground state reaction probability shows no threshold for this reaction, in other words, this reaction can occur without an activation barrier. The vibrational excitation shows that the stretching motion of H+-HD only has a small effect on the reaction probability; the vibrational excitation of HD in H2D+ hinders the reactivity. By contrast, rotational excitation of H+-HD greatly enhances the reactivity with the reaction probability increased double or triple at high rotational states compared to the ground state. Reactive resonances, seen in all the initial state selected reaction probabilities, are also found in the integral cross section for the ground state of H2D+ and H2. The thermal rate coefficient is also calculated and is found to be in semiquantitative agreement with experiment; however, quantum scattering approaches including more degrees of freedom, especially including all the angles, are necessary to study this reaction in the future.
Quantum molecular dynamics study of the pressure dependence of the ammonia inversion transition
I. M. Herbauts; D. J. Dunstan
2007-04-15
The mechanism of the shift, broadening and quenching of the ammonia inversion frequency with gas pressure has been a problem of lively interest for over seventy years. A simple quantum model of the ammonia molecule perturbed by collisions with ideal gas molecules displays the essential features of the experimental data for NH3 and for ND3. The model does not display the behaviour expected from theories of quantum localisation such as quantum state diffusion and decoherence. On the other hand, models of perturbed classical oscillators do display similar behaviour to our model. The quenching of the ammonia inversion transition cannot therefore be interpreted as spatial localisation of the wavefunction.
NASA Astrophysics Data System (ADS)
Passler, Peter P.; Rode, Bernd M.
2015-10-01
Hydration properties of trivalent thulium and ytterbium ions in aqueous solution are investigated via quantum mechanical charge field molecular dynamics (QMCF-MD) simulations. The QMCF-MD formalism is a special type of QM/MM simulation, where the chemically most relevant part of the system - in this case the ion with its first and second hydration shells - is treated by quantum mechanics. The mean ionsbnd O distances and the average coordination numbers of the first hydration shells are compared with experimental EXAFS data. Mean ligand residence times, vibrational frequencies and force constants were evaluated to characterise the dynamics of the systems.
Iyengar, Srinivasan S.
Quantum Wavepacket Ab Initio Molecular Dynamics: An Approach for Computing Dynamically Averaged quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum
Unitary dynamics for quantum codewords
Asher Peres
1996-09-18
A quantum codeword is a redundant representation of a logical qubit by means of several physical qubits. It is constructed in such a way that if one of the physical qubits is perturbed, for example if it gets entangled with an unknown environment, there still is enough information encoded in the other physical qubits to restore the logical qubit, and disentangle it from the environment. The recovery procedure may consist of the detection of an error syndrome, followed by the correction of the error, as in the classical case. However, it can also be performed by means of unitary operations, without having to know the error syndrome. Since quantum codewords span only a restricted subspace of the complete physical Hilbert space, the unitary operations that generate quantum dynamics (that is, the computational process) are subject to considerable arbitrariness, similar to the gauge freedom in quantum field theory. Quantum codewords can thus serve as a toy model for investigating the quantization of constrained dynamical systems.
Quantum walk coherences on a dynamical percolation graph
NASA Astrophysics Data System (ADS)
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-08-01
Coherent evolution governs the behaviour of all quantum systems, but in nature it is often subjected to influence of a classical environment. For analysing quantum transport phenomena quantum walks emerge as suitable model systems. In particular, quantum walks on percolation structures constitute an attractive platform for studying open system dynamics of random media. Here, we present an implementation of quantum walks differing from the previous experiments by achieving dynamical control of the underlying graph structure. We demonstrate the evolution of an optical time-multiplexed quantum walk over six double steps, revealing the intricate interplay between the internal and external degrees of freedom. The observation of clear non-Markovian signatures in the coin space testifies the high coherence of the implementation and the extraordinary degree of control of all system parameters. Our work is the proof-of-principle experiment of a quantum walk on a dynamical percolation graph, paving the way towards complex simulation of quantum transport in random media.
Paris-Sud 11, Université de
17 O NMR Study of the Intrinsic Magnetic Susceptibility and Spin Dynamics of the Quantum Kagome report, through 17 O NMR, an unambiguous local determination of the intrinsic kagome lattice spin antiferromagnets. Finally, we discuss our relaxation measurements in the light of Cu and Cl NMR data and suggest
Yamada, Atsushi; Kojima, Hidekazu; Okazaki, Susumu
2014-08-28
In order to investigate proton transfer reaction in solution, mixed quantum-classical molecular dynamics calculations have been carried out based on our previously proposed quantum equation of motion for the reacting system [A. Yamada and S. Okazaki, J. Chem. Phys. 128, 044507 (2008)]. Surface hopping method was applied to describe forces acting on the solvent classical degrees of freedom. In a series of our studies, quantum and solvent effects on the reaction dynamics in solutions have been analysed in detail. Here, we report our mixed quantum-classical molecular dynamics calculations for intramolecular proton transfer of malonaldehyde in water. Thermally activated proton transfer process, i.e., vibrational excitation in the reactant state followed by transition to the product state and vibrational relaxation in the product state, as well as tunneling reaction can be described by solving the equation of motion. Zero point energy is, of course, included, too. The quantum simulation in water has been compared with the fully classical one and the wave packet calculation in vacuum. The calculated quantum reaction rate in water was 0.70 ps{sup ?1}, which is about 2.5 times faster than that in vacuum, 0.27 ps{sup ?1}. This indicates that the solvent water accelerates the reaction. Further, the quantum calculation resulted in the reaction rate about 2 times faster than the fully classical calculation, which indicates that quantum effect enhances the reaction rate, too. Contribution from three reaction mechanisms, i.e., tunneling, thermal activation, and barrier vanishing reactions, is 33:46:21 in the mixed quantum-classical calculations. This clearly shows that the tunneling effect is important in the reaction.
Emergence of Spacetime in Quantum Shape Dynamics
Furkan Semih Dündar; Baris Tamer Tonguc
2015-11-30
We study kinematics of atoms and molecules in quantum shape dynamics. We analyzed a model universe where there is only electrical force between protons and electrons. In ref. \\cite{sd-prl} a similar model where there is only gravitational attraction between masses is investigated. Our results is an expansion of the ideas there. We found that hydrogen atoms can form when they are entangled in singlet pairs. On the other hand if there is single hydrogen atom in the universe, it occupies the entire universe. What is more, in the investigation of hydrogen molecule, we found that absolute spacetime emerges by coarse graining the quantum degrees of freedom. It may be that spacetime only exists because of the presence of quantum degrees of freedom. This is especially important from the quantum gravity perspective.
Emergence of Spacetime in Quantum Shape Dynamics
Dündar, Furkan Semih
2015-01-01
We study kinematics of atoms and molecules in quantum shape dynamics. We analyzed a model universe where there is only electrical force between protons and electrons. In ref. \\cite{sd-prl} a similar model where there is only gravitational attraction between masses is investigated. Our results is an expansion of the ideas there. We found that hydrogen atoms can form when they are entangled in singlet pairs. On the other hand if there is single hydrogen atom in the universe, it occupies the entire universe. What is more, in the investigation of hydrogen molecule, we found that absolute spacetime emerges by coarse graining the quantum degrees of freedom. It may be that spacetime only exists because of the presence of quantum degrees of freedom. This is especially important from the quantum gravity perspective.
Rinaldo, D; Vita, C; Field, M J
2004-12-01
Proteins with the ability to specifically bind strontium would potentially be of great use in the field of nuclear waste management. Unfortunately, no such peptides or proteins are known -- indeed, it is uncertain whether they exist under natural conditions due to low environmental concentrations of strontium. To investigate the possibility of devising such molecules, one of us (CV), in a previous experimental study, proposed starting from an EF-hand motif of the protein calmodulin and mutating some residues to change the motif's specificity for calcium into one for strontium. In this paper, which represents a theoretical complement to the experimental work, we analyzed small-molecule crystallographic structures and performed quantum chemical calculations to identify possible mutations. We then constructed seven mutant sequences of the EF-hand motif and analyzed their dynamical and binding behaviors using molecular dynamics simulations and free-energy calculations (using the MM/PBSA method). As a result of these analyzes we were able to isolate some characteristics that could lead to mutant peptides with enhanced strontium affinity. PMID:15473703
Monodisperse cluster crystals: Classical and quantum dynamics
NASA Astrophysics Data System (ADS)
Díaz-Méndez, Rogelio; Mezzacapo, Fabio; Cinti, Fabio; Lechner, Wolfgang; Pupillo, Guido
2015-11-01
We study the phases and dynamics of a gas of monodisperse particles interacting via soft-core potentials in two spatial dimensions, which is of interest for soft-matter colloidal systems and quantum atomic gases. Using exact theoretical methods, we demonstrate that the equilibrium low-temperature classical phase simultaneously breaks continuous translational symmetry and dynamic space-time homogeneity, whose absence is usually associated with out-of-equilibrium glassy phenomena. This results in an exotic self-assembled cluster crystal with coexisting liquidlike long-time dynamical properties, which corresponds to a classical analog of supersolid behavior. We demonstrate that the effects of quantum fluctuations and bosonic statistics on cluster-glassy crystals are separate and competing: Zero-point motion tends to destabilize crystalline order, which can be restored by bosonic statistics.
Monodisperse cluster crystals: classical and quantum dynamics
Rogelio Diaz-Mendez; Fabio Mezzacapo; Fabio Cinti; Wolfgang Lechner; Guido Pupillo
2015-11-10
We study the phases and dynamics of a gas of monodisperse particles interacting via soft-core potentials in two spatial dimensions, which is of interest for soft-matter colloidal systems and quantum atomic gases. Using exact theoretical methods, we demonstrate that the equilibrium low-temperature classical phase simultaneously breaks continuous translational symmetry and dynamic space-time homogeneity, whose absence is usually associated with out-of-equilibrium glassy phenomena. This results in an exotic self-assembled cluster crystal with coexisting liquid-like long-time dynamical properties, which corresponds to a classical analog of supersolid behavior. We demonstrate that the effects of quantum fluctuations and bosonic statistics on cluster-glassy crystals are separate and competing: zero-point motion tends to destabilize crystalline order, which can be restored by bosonic statistics.
Dynamical localization, measurements and quantum computing
M. Terraneo; D. L. Shepelyansky
2003-09-26
We study numerically the effects of measurements on dynamical localization in the kicked rotator model simulated on a quantum computer. Contrary to the previous studies, which showed that measurements induce a diffusive probability spreading, our results demonstrate that localization can be preserved for repeated single-qubit measurements. We detect a transition from a localized to a delocalized phase, depending on the system parameters and on the choice of the measured qubit.
Dynamics of quantum entanglement in the reservoir with memory effects
Xiang Hao; Jinqiao Sha; Jian Sun; Shiqun Zhu
2012-08-08
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 by 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.
The Dynamical Invariant of Open Quantum System
S. L. Wu; X. Y. Zhang; X. X. Yi
2015-10-05
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 is a dynamical invariant, we propose a sort of special dynamical invariant (decoherence free dynamical invariant) in which a part of eigenvalues are still constant. The dynamical invariant in the subspace spanned by the corresponding eigenstates evolves unitarily. Via the dynamical invariant condition, the results demonstrate that this dynamical invariant exists under the circumstances of emergence of decoherence free subspaces.
Controlling quantum dynamics phenomena
NASA Astrophysics Data System (ADS)
Rabitz, Herschel
2008-02-01
Since the initial development of lasers in the 1960's, a longstanding dream has been to utilize these special intense radiation (light) sources to redirect the outcome of chemical reactions. In the ensuing years, much effort has gone into attempts at making this dream a reality. Emerging recent successful experiments derive from a confluence of ultrafast laser technology, control theory concepts, and suitable pattern recognition algorithms all drawn together to form adaptive machines. The adaptive machines are being used to manipulate chemical bonds, as well as a broad variety of other atomic and molecular dynamics phenomenon. These advances rest on the ability to delicately shape laser pulses so that they act as a special type of photonic reagents.
Quantum Discord: A Dynamic Approach in Geometric Picture
Mingjun Shi; Fengjian Jiang; Jiangfeng Du
2011-07-22
We present a dynamic approach to study the quantum discord and classical correlation. By local filtering operation, the evaluation of quantum discord is closely related to quantum channel and channel capacity. As a consequence, the traditional optimization over horizontal-or-vertical von Neumann measurements is replaced by that over horizontal-and-vertical three-element POVM measurement, from which more rigorous results of quantum discord are obtained.
NASA Astrophysics Data System (ADS)
Shikanai, A.; Deguchi, T.; Sota, T.; Kuroda, T.; Tackeuchi, A.; Chichibu, S.; Nakamura, S.
2000-01-01
Photogenerated carrier dynamics in an AlGaN/GaN single quantum well has been studied using a conventional degenerate pump and probe technique at room temperature. Photoinduced absorption at the exciton resonance has been observed. It is explained by the absorption coefficient change, through the quantum-confined Stark effect and the quantum-confined Franz-Keldish effect, caused by the photoinduced internal electric-field screening. In comparison with biased GaAs multiple quantum wells, a slower time evolution of differential transmission signals has been also found. Its origin is attributed to the longer carrier sweep-out time due to the potential profile of the sample in conjunction with the longer carrier recombination time.
Time-resolved magnetophotoluminescence studies of magnetic polaron dynamics in type-II quantum dots
NASA Astrophysics Data System (ADS)
Barman, B.; Oszwa?dowski, R.; Schweidenback, L.; Russ, A. H.; Pientka, J. M.; Tsai, Y.; Chou, W.-C.; Fan, W. C.; Murphy, J. R.; Cartwright, A. N.; Sellers, I. R.; Petukhov, A. G.; Žuti?, I.; McCombe, B. D.; Petrou, A.
2015-07-01
We used continuous wave photoluminescence (cw-PL) and time-resolved photoluminescence (TR-PL) spectroscopy to compare the properties of magnetic polarons (MP) in two related spatially indirect II-VI epitaxially grown quantum dot systems. In the ZnTe /(Zn ,Mn )Se system the holes are confined in the nonmagnetic ZnTe quantum dots (QDs), and the electrons reside in the magnetic (Zn,Mn)Se matrix. On the other hand, in the (Zn ,Mn )Te /ZnSe system, the holes are confined in the magnetic (Zn,Mn)Te QDs, while the electrons remain in the surrounding nonmagnetic ZnSe matrix. The magnetic polaron formation energies EMP in both systems were measured from the temporal redshift of the band-edge emission. The magnetic polaron exhibits distinct characteristics depending on the location of the Mn ions. In the ZnTe /(Zn ,Mn )Se system the magnetic polaron shows conventional behavior with EMP decreasing with increasing temperature T and increasing magnetic field B . In contrast, EMP in the (Zn ,Mn )Te /ZnSe system has unconventional dependence on temperature T and magnetic field B ; EMP is weakly dependent on T as well as on B . We discuss a possible origin for such a striking difference in the MP properties in two closely related QD systems.
Metric perturbation theory of quantum dynamics
Antony L Tambyrajah
2006-10-06
A theory of quantum dynamics based on a discrete structure underlying the space time manifold is developed for single particles. It is shown that at the micro domain the interaction of particles with the underlying discrete structure results in the quantum space time manifold. Regarding the resulting quantum space-time as perturbation from the Lorentz metric it is shown it is possible to discuss the dynamics of particles in the quantum domain.
Dynamical Localization in Kicked Quantum Rotors
NASA Astrophysics Data System (ADS)
Kamalov, Andrei; Broege, Douglas; Bucksbaum, Philip H.
2015-05-01
The quantum periodically ?-kicked rotor has been shown to experience localization within angular momentum space, rotational wavepacket amplification or annihilation, and Bloch oscillations, amongst other effects, depending on the choice of time-separation between individual kicks. Localization within rotation state space has been linked to Anderson localization within 1-D chains, and has been extensively studied with calculations. Previous experiments used cold atoms in optical lattices to measure a related localization phenomenon. We utilize a train of eight femtosecond scale pulses and compare the molecular alignment signal of a true quantum linear rotor at room temperature when it is kicked periodically and aperiodically. Our data is the first observation of the much studied dynamical localization phenomenon within the quantum rotor. Supported through the Stanford PULSE Institute at the SLAC National Accelerator Laboratory by the U.S. Department of Energy, Office of Basic Energy Sciences.
Quantum nature of the big bang: Improved dynamics
Ashtekar, Abhay; Pawlowski, Tomasz; Singh, Parampreet
2006-10-15
An improved Hamiltonian constraint operator is introduced in loop quantum cosmology. Quantum dynamics of the spatially flat, isotropic model with a massless scalar field is then studied in detail using analytical and numerical methods. The scalar field continues to serve as ''emergent time'', the big bang is again replaced by a quantum bounce, and quantum evolution remains deterministic across the deep Planck regime. However, while with the Hamiltonian constraint used so far in loop quantum cosmology the quantum bounce can occur even at low matter densities, with the new Hamiltonian constraint it occurs only at a Planck-scale density. Thus, the new quantum dynamics retains the attractive features of current evolutions in loop quantum cosmology but, at the same time, cures their main weakness.
Blancafort, Lluis; Gatti, Fabien; Meyer, Hans-Dieter
2011-10-07
The double bond photoisomerization of fulvene has been studied with quantum dynamics calculations using the multi-configuration time-dependent Hartree method. Fulvene is a test case to develop optical control strategies based on the knowledge of the excited state decay mechanism. The decay takes place on a time scale of several hundred femtoseconds, and the potential energy surface is centered around a conical intersection seam between the ground and excited state. The competition between unreactive decay and photoisomerization depends on the region of the seam accessed during the decay. The dynamics are carried out on a four-dimensional model surface, parametrized from complete active space self-consistent field calculations, that captures the main features of the seam (energy and locus of the seam and associated branching space vectors). Wave packet propagations initiated by single laser pulses of 5-25 fs duration and 1.85-4 eV excitation energy show the principal characteristics of the first 150 fs of the photodynamics. Initially, the excitation energy is transferred to a bond stretching mode that leads the wave packet to the seam, inducing the regeneration of the reactant. The photoisomerization starts after the vibrational energy has flowed from the bond stretching to the torsional mode. In our propagations, intramolecular energy redistribution (IVR) is accelerated for higher excess energies along the bond stretch mode. Thus, the competition between unreactive decay and isomerization depends on the rate of IVR between the bond stretch and torsion coordinates, which in turn depends on the excitation energy. These results set the ground for the development of future optical control strategies.
Fault tolerant dynamical decoupling for quantum computing and quantum memory
Souza, Alexandre M; Suter, Dieter
2011-01-01
Dynamical decoupling (DD) is a popular technique for protecting quantum information from degradation by interactions with the environment. However, unless special care is taken, unavoidable 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 dynamical decoupling sequences robust against different types of experimental errors while retaining good decoupling efficiency in a fluctuating environment, which poses the most challenging regime for protecting quantum information. We present experimental data from nuclear spin qubits in a solid and introduce a new DD sequence that is suitable for quantum computing and quantum memory.
G., Leonardo Quintanar
2015-01-01
We study the cosmological implications of the Nambu-Jona-Lasinio (NJL model) when the coupling constant is field dependent. The NJL model has a four-fermion interaction describing two different phases due to quantum interaction effects and determined by the strength of the coupling constant g. It describes massless fermions for weak coupling and a massive fermions and strong coupling, where a fermion condensate is formed. In the original NJL model the coupling constant g is indeed constant, and in this work we consider a modified version of the NJL model by introducing a dynamical field dependent coupling motivated by string theory. The effective potential as a function of the varying coupling (aimed to implement a natural phase transition) is seen to develop a negative divergence, i.e. becomes a "bottomless well" in certain limit region. Although we explain how an lower unbounded potential is not necessarily unacceptable in a cosmological context, the divergence can be removed if we consider a mass term for ...
Transient dynamics of linear quantum amplifiers
S. Maniscalco; J. Piilo; N. Vitanov; S. Stenholm
2006-01-13
The transient dynamics of a quantum linear amplifier during the transition from damping to amplification regime is studied. The master equation for the quantized mode of the field is solved, and the solution is used to describe the statistics of the output field. The conditions under which a nonclassical input field may retain nonclassical features at the output of the amplifier are analyzed and compared to the results of earlier theories. As an application we give a dynamical description of the departure of the system from thermal equilibrium.
Why quantum dynamics is linear
NASA Astrophysics Data System (ADS)
Jordan, Thomas F.
2009-11-01
A seed George planted 45 years ago is still producing fruit now. In 1961, George set out the fundamental proposition that quantum dynamics is described most generally by linear maps of density matrices. Since the first sprout from George's seed appeared in 1962, we have known that George's fundamental proposition can be used to derive the linear Schrodinger equation in cases where it can be expected to apply. Now we have a proof of George's proposition that density matrices are mapped linearly to density matrices, that there can be no nonlinear generalization of this. That completes the derivation of the linear Schrodinger equation. The proof of George's proposition replaces Wigner's theorem that a symmetry transformation is represented by a linear or antilinear operator. The assumption needed to prove George's proposition is just that the dynamics does not depend on anything outside the system but must allow the system to be described as part of a larger system. This replaces the physically less compelling assumption of Wigner's theorem that absolute values of inner products are preserved. The history of this question is reviewed. Nonlinear generalizations of quantum mechanics have been proposed. They predict small but clear nonlinear effects, which very accurate experiments have not seen. This begs the question. Is there a reason in principle why nonlinearity is not found? Is it impossible? Does quantum dynamics have to be linear? Attempts to prove this have not been decisive, because either their assumptions are not compelling or their arguments are not conclusive. The question has been left unsettled. The simple answer, based on a simple assumption, was found in two steps separated by 44 years.
Xijia Miao
2011-11-22
It is shown in the paper that the unitary quantum dynamics in quantum mechanics is the universal quantum driving force to speed up a quantum computation. This assertion supports strongly in theory that the unitary quantum dynamics is the fundamental and universal principle in nature. On the other hand, the symmetric structure of Hilbert space of a composite quantum system is the quantum-computing resource that is not owned by classical computation. A new quantum-computing speedup theory is set up on the basis of the unitary quantum dynamics. Both the unitary quantum dynamics and the symmetric structure and property of the Hilbert space of the quantum system are mainly responsible for an exponential quantum-computing speedup for a general efficient quantum algorithm. The inherent importance for the unitary quantum dynamics to speed up a quantum computation lies in the unique ability of the unitary quantum dynamics to build the effective interaction between the symmetric structure of the Hilbert space of the quantum system and the mathematical symmetric structure of a problem to be solved on the quantum system. This unique ability could result in an essential difference of computational power between quantum and classical computations by combining the symmetric structure and property of the Hilbert space. The new quantum-computing speedup theory also provides reasonable mechanisms for exponential quantum-computing speedup for the existing efficient quantum algorithms based on the quantum parallel principle. These existing quantum algorithms including the hidden-subgroup-problem quantum algorithms and conventional quantum search algorithms have the common character that the symmetric structure of the Hilbert space does not have any effective effect on these quantum algorithms. This could be the main reason why these quantum algorithms are quite special and considered to be semiclassical.
Radiation from quantum weakly dynamical horizons in loop quantum gravity.
Pranzetti, Daniele
2012-07-01
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. PMID:23031096
Lattice Study on quantum-mechanical dynamics of two-color QCD with six light flavors
Hayakawa, M; Takeda, S; Tomii, M; Yamada, N
2013-01-01
The chiral properties of SU(2) gauge theory with six flavors, i.e. six light Dirac fermions in the fundamental representations, are investigated by lattice simulation. The analysis of the mesonic spectrum indicates the absence of chiral symmetry breaking. The decay constant tends to be increased by the finite size effect, which is opposite to the behavior predicted by chiral perturbation theory and indicates that the long distance dynamics in the six-flavor theory could be different from the theory with chiral symmetry breaking. The subtracted chiral condensate, whose utility is demonstrated by the simulation of two-flavor theory, is shown to vanish in the chiral limit within the precision of available data.
Volume dynamics and quantum gravity
NASA Astrophysics Data System (ADS)
Haggard, Hal
2012-03-01
Polyhedral grains of space can be given a dynamical structure. In recent work it was shown that Bohr-Sommerfeld quantization of the volume of a tetrahedral grain of space results in a spectrum in excellent agreement with loop gravity. Here we present preliminary investigations of the volume of a 5-faced convex polyhedron. We give for the first time a constructive method for finding these polyhedra given their face areas and normals to the faces and find an explicit formula for the volume. In particular, we are interested in discovering whether the evolution generated by this volume is chaotic or integrable which has important consequences for loop gravity: If the classical volume generates a chaotic flow then the corresponding quantum spectrum will generically be non-degenerate and the volume eigenvalue continues to act as a good label for spin network states. On the other hand, if the volume flow is classically integrable then the degeneracy of the corresponding quantum spectrum will have to be lifted by another observable. We report on progress distinguishing these two cases. Either of these outcomes will impact the direction of future research into volume operators in quantum gravity.
The Quantum-Classical Transition in Nonlinear Dynamical Systems
Salman Habib; Kurt Jacobs; Hideo Mabuchi; Robert Ryne; Kosuke Shizume; Bala Sundaram
2000-10-26
Viewed as approximations to quantum mechanics, classical evolutions can violate the positive-semidefiniteness of the density matrix. The nature of this violation suggests a classification of dynamical systems based on classical-quantum correspondence; we show that this can be used to identify when environmental interaction (decoherence) will be unsuccessful in inducing the quantum-classical transition. In particular, the late-time Wigner function can become positive without any corresponding approach to classical dynamics. In the light of these results, we emphasize key issues relevant for experiments studying the quantum-classical transition.
Quantum-classical transition in nonlinear dynamical systems.
Habib, Salman; Jacobs, Kurt; Mabuchi, Hideo; Ryne, Robert; Shizume, Kosuke; Sundaram, Bala
2002-01-28
Viewed as approximations to quantum mechanics, classical evolutions can violate the positive semidefiniteness of the density matrix. The nature of the violation suggests a classification of dynamical systems based on classical-quantum correspondence; we show that this can be used to identify when environmental interaction (decoherence) will be unsuccessful in inducing the quantum-classical transition. In particular, the late-time Wigner function can become positive without any corresponding approach to classical dynamics. In the light of these results, we emphasize key issues relevant for experiments studying the quantum-classical transition. PMID:11801095
The Quantum-Classical Transition in Nonlinear Dynamical Systems
Habib, S; Mabuchi, H; Ryne, Robert D; Shizume, K; Sundaram, B; Habib, Salman; Jacobs, Kurt; Mabuchi, Hideo; Ryne, Robert; Shizume, Kosuke; Sundaram, Bala
2002-01-01
Viewed as approximations to quantum mechanics, classical evolutions can violate the positive-semidefiniteness of the density matrix. The nature of this violation suggests a classification of dynamical systems based on classical-quantum correspondence; we show that this can be used to identify when environmental interaction (decoherence) will be unsuccessful in inducing the quantum-classical transition. In particular, the late-time Wigner function can become positive without any corresponding approach to classical dynamics. In the light of these results, we emphasize key issues relevant for experiments studying the quantum-classical transition.
Deterministic generation of multiparticle entanglement by quantum Zeno dynamics
NASA Astrophysics Data System (ADS)
Barontini, Giovanni; Hohmann, Leander; Haas, Florian; Estève, Jérôme; Reichel, Jakob
2015-09-01
Multiparticle entangled quantum states, a key resource in quantum-enhanced metrology and computing, are usually generated by coherent operations exclusively. However, unusual forms of quantum dynamics can be obtained when environment coupling is used as part of the state generation. In this work, we used quantum Zeno dynamics (QZD), based on nondestructive measurement with an optical microcavity, to deterministically generate different multiparticle entangled states in an ensemble of 36 qubit atoms in less than 5 microseconds. We characterized the resulting states by performing quantum tomography, yielding a time-resolved account of the entanglement generation. In addition, we studied the dependence of quantum states on measurement strength and quantified the depth of entanglement. Our results show that QZD is a versatile tool for fast and deterministic entanglement generation in quantum engineering applications.
Deterministic generation of multiparticle entanglement by quantum Zeno dynamics.
Barontini, Giovanni; Hohmann, Leander; Haas, Florian; Estève, Jérôme; Reichel, Jakob
2015-09-18
Multiparticle entangled quantum states, a key resource in quantum-enhanced metrology and computing, are usually generated by coherent operations exclusively. However, unusual forms of quantum dynamics can be obtained when environment coupling is used as part of the state generation. In this work, we used quantum Zeno dynamics (QZD), based on nondestructive measurement with an optical microcavity, to deterministically generate different multiparticle entangled states in an ensemble of 36 qubit atoms in less than 5 microseconds. We characterized the resulting states by performing quantum tomography, yielding a time-resolved account of the entanglement generation. In addition, we studied the dependence of quantum states on measurement strength and quantified the depth of entanglement. Our results show that QZD is a versatile tool for fast and deterministic entanglement generation in quantum engineering applications. PMID:26383948
Quantum Dynamics Study of the Isotopic Effect on Capture Reactions: HD, D2 + CH3
NASA Technical Reports Server (NTRS)
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.
Pan, Wenxiao; Qi, Yuanyuan; Wang, Ruoxi; Han, Zhe; Zhang, Dongju; Zhan, Jinhua
2013-04-01
The effective abatement of flue gas emissions, especially polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs), is one of the challenging issues in the field of environmental science currently. Imidazolium-based dicyanamide ionic liquids (ILs) were proposed to have potential in controlling the emissions of PCDD/Fs. However, the relevant mechanism at the molecular level still remains unclear. To address this subject, we here present a combined molecular dynamics (MD) simulation and quantum chemical (QM) study on the adsorption of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), the most toxic congener among PCDD/F family, by 1-butyl-3-methylimidazolium dicyanamide IL, a representative imidazolium dicyanoamide ILs, which were demonstrated to possess high capture capability for PCDD/Fs. The MD simulation results show that TCDD molecules can be effectively adsorbed on the IL surface to form a dense layer, but cannot enter the interior of the IL. The results of QM calculations show that the adsorption of TCDDs on the IL surface occurs via intra-molecular hydrogen bond interactions. The calculated interaction energy of the anion with TCDD molecule is two times more than that of the cation, implying that the IL anion dominates the interaction with TCDD molecules, while the cation plays a secondary role. Based on the calculated results, we propose that imidazolium dicyanamide IL films/membranes may be better materials than the corresponding bulk for capturing TCDD. The present theoretical results may be helpful to designing the functional ILs which effectively capture and concentrate PCDD/F compounds. PMID:23336926
Pulse dynamics of quantum systems with pairing
NASA Astrophysics Data System (ADS)
Zvyagin, A. A.
2015-11-01
The evolution of the system of fermions with pairing under the action of a pulse (or a quench) of the external potential has been studied. In the dynamical regime the number of fermions oscillates (with beats) as a function of the duration of the pulse (or as a function of time for the quench) about the value determined by the magnitude of the pulse. Oscillations depend on the values of the potential and the pulse. The parameters of those oscillations permit one to determine characteristics of the dynamical quantum phase transitions, such as Fisher's zeros in one-dimensional systems. The effect is absent for zero pairing. In particular, the response of a topological superconductor to the pulse manifests dynamical oscillations, most pronounced for the range of parameters in which the topological superconductivity can occur. The response of Majorana edge states to the pulse is analyzed. The results are generalized for the bosonic system with pairing under the action of the pulse (quench).
Emergent eigenstate solution to quantum dynamics far from equilibrium
L. Vidmar; D. Iyer; M. Rigol
2015-12-16
Recent studies on the dynamics of interacting quantum many-body systems have shed light into this largely unexplored domain in physics. A unique possibility revealed by such studies is the dynamical realization of novel quantum states. Prominent examples are prethermal states close to integrability and topological states in periodically driven systems. The former can be understood as steady states of integrable Hamiltonians and the latter via effective Floquet descriptions. Here, we unveil another remarkable outcome of quantum dynamics, the generation of time-evolving states that are eigenstates of emergent local Hamiltonians (not trivially related to the ones driving the dynamics). We study far from equilibrium dynamics of Bose- and Fermi-Hubbard models in one-dimensional lattices, and provide examples of physically relevant time-evolving states that are ground states of such emergent Hamiltonians. We further show that these states can display a striking range of spatial correlations, from power law to Gaussian.
Quantum Geometry and Quantum Dynamics at the Planck Scale
Bojowald, Martin
2009-12-15
Canonical quantum gravity provides insights into the quantum dynamics as well as quantum geometry of space-time by its implications for constraints. Loop quantum gravity in particular requires specific corrections due to its quantization procedure, which also results in a discrete picture of space. The corresponding changes compared to the classical behavior can most easily be analyzed in isotropic models, but perturbations around them are more involved. For one type of corrections, consistent equations have been found which shed light on the underlying space-time structure at the Planck scale: not just quantum dynamics but also the concept of space-time manifolds changes in quantum gravity. Effective line elements provide indications for possible relationships to other frameworks, such as non-commutative geometry.
Quantum analysis applied to thermo field dynamics on dissipative systems
Hashizume, Yoichiro; Okamura, Soichiro; Suzuki, Masuo
2015-03-10
Thermo field dynamics is one of formulations useful to treat statistical mechanics in the scheme of field theory. In the present study, we discuss dissipative thermo field dynamics of quantum damped harmonic oscillators. To treat the effective renormalization of quantum dissipation, we use the Suzuki-Takano approximation. Finally, we derive a dissipative von Neumann equation in the Lindbrad form. In the present treatment, we can easily obtain the initial damping shown previously by Kubo.
Aging dynamics of quantum spin glasses of rotors
NASA Astrophysics Data System (ADS)
Kennett, Malcolm P.; Chamon, Claudio; Ye, Jinwu
2001-12-01
We study the long time dynamics of quantum spin glasses of rotors using the nonequilibrium Schwinger-Keldysh formalism. These models are known to have a quantum phase transition from a paramagnetic to a spin-glass phase, which we approach by looking at the divergence of the spin-relaxation rate at the transition point. In the aging regime, we determine the dynamical equations governing the time evolution of the spin response and correlation functions, and show that all terms in the equations that arise solely from quantum effects are irrelevant at long times under time reparametrization group (RPG) transformations. At long times, quantum effects enter only through the renormalization of the parameters in the dynamical equations for the classical counterpart of the rotor model. Consequently, quantum effects only modify the out-of-equilibrium fluctuation-dissipation relation (OEFDR), i.e. the ratio X between the temperature and the effective temperature, but not the form of the classical OEFDR.
Control of quantum dynamics by optimized measurements
Feng Shuang; Mianlai Zhou; Alexander Pechen; Rebing Wu; Ofer M. Shir; Herschel Rabitz
2009-02-16
Quantum measurements are considered for optimal control of quantum dynamics with instantaneous and continuous observations utilized to manipulate population transfer. With an optimal set of measurements, the highest yield in a two-level system can be obtained. The analytical solution is given for the problem of population transfer by measurement-assisted coherent control in a three-level system with a dynamical symmetry. The anti-Zeno effect is recovered in the controlled processes. The demonstrations in the paper show that suitable observations can be powerful tools in the manipulation of quantum dynamics.
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.
Colognesi, Daniele; Powers, Anna; Celli, Milva; Xu, Minzhong; Ba?i?, Zlatko; Ulivi, Lorenzo
2014-10-01
We report inelastic neutron scattering (INS) measurements on molecular hydrogen deuteride (HD) trapped in binary cubic (sII) and hexagonal (sH) clathrate hydrates, performed at low temperature using two different neutron spectrometers in order to probe both energy and momentum transfer. The INS spectra of binary clathrate samples exhibit a rich structure containing sharp bands arising from both the rotational transitions and the rattling modes of the guest molecule. For the clathrates with sII structure, there is a very good agreement with the rigorous fully quantum simulations which account for the subtle effects of the anisotropy, angular and radial, of the host cage on the HD microscopic dynamics. The sH clathrate sample presents a much greater challenge, due to the uncertainties regarding the crystal structure, which is known only for similar crystals with different promoter, but nor for HD (or H2) plus methyl tert-butyl ether (MTBE-d12). PMID:25296815
NASA Astrophysics Data System (ADS)
Colognesi, Daniele; Powers, Anna; Celli, Milva; Xu, Minzhong; Ba?i?, Zlatko; Ulivi, Lorenzo
2014-10-01
We report inelastic neutron scattering (INS) measurements on molecular hydrogen deuteride (HD) trapped in binary cubic (sII) and hexagonal (sH) clathrate hydrates, performed at low temperature using two different neutron spectrometers in order to probe both energy and momentum transfer. The INS spectra of binary clathrate samples exhibit a rich structure containing sharp bands arising from both the rotational transitions and the rattling modes of the guest molecule. For the clathrates with sII structure, there is a very good agreement with the rigorous fully quantum simulations which account for the subtle effects of the anisotropy, angular and radial, of the host cage on the HD microscopic dynamics. The sH clathrate sample presents a much greater challenge, due to the uncertainties regarding the crystal structure, which is known only for similar crystals with different promoter, but nor for HD (or H2) plus methyl tert-butyl ether (MTBE-d12).
Non-equilibrium dynamics of an unstable quantum pendulum
C. S. Gerving; T. M. Hoang; B. J. Land; M. Anquez; C. D. Hamley; M. S. Chapman
2012-05-09
A pendulum prepared perfectly inverted and motionless is a prototype of unstable equilibria and corresponds to an unstable hyperbolic fixed point in the dynamical phase space. Unstable fixed points are central to understanding Hamiltonian chaos in classical systems. In many-body quantum systems, mean-field approximations fail in the vicinity of unstable fixed points and lead to dynamics driven by quantum fluctuations. Here, we measure the non-equilibrium dynamics of a many-body quantum pendulum initialized to a hyperbolic fixed point of the phase space. The experiment uses a spin-1 Bose condensate, which exhibits Josephson dynamics in the spin populations that correspond in the mean-field limit to motion of a non-rigid mechanical pendulum. The condensate is initialized to a minimum uncertainty spin state, and quantum fluctuations lead to non-linear spin evolution along a separatrix and non-Gaussian probability distributions that are measured to be in good agreement with exact quantum calculations up to 0.25 s. At longer times, atomic loss due to the finite lifetime of the condensate leads to larger spin oscillation amplitudes compared to no loss case as orbits depart from the separatrix. This demonstrates how decoherence of a many-body system can result in more apparent coherent behaviour. This experiment provides new avenues for studying macroscopic spin systems in the quantum limit and for investigations of important topics in non-equilibrium quantum dynamics.
Dynasol: A visual quantum dynamics package
NASA Astrophysics Data System (ADS)
Peng, Tong; Zhang, Dong H.; Wang, Dun-You; Li, Yi-Min; Zhang, J. Z. H.
2000-06-01
This paper gives an introduction to a new computer program - Dynasol (DynaSolver), a package of quantum dynamics program with graphical user interface (GUI). Dynasol is built on modern computational methods in quantum reaction dynamics and is integrated with graphical interface and visualization tools for X-window environment. The basic structure and instruction of using Dynasol are presented with simple examples. The available applications of Dynasol and the instructions on how to download and install the program are also provided.
Thermodynamics of quantum systems under dynamical control
D. Gelbwaser-Klimovsky; Wolfgang Niedenzu; Gershon Kurizki
2015-03-04
In this review the debated rapport between thermodynamics and quantum mechanics is addressed in the framework of the theory of periodically-driven/controlled quantum-thermodynamic machines. The basic model studied here is that of a two-level system (TLS), whose energy is periodically modulated while the system is coupled to thermal baths. When the modulation interval is short compared to the bath memory time, the system-bath correlations are affected, thereby causing cooling or heating of the TLS, depending on the interval. In steady state, a periodically-modulated TLS coupled to two distinct baths constitutes the simplest quantum heat machine (QHM) that may operate as either an engine or a refrigerator, depending on the modulation rate. We find their efficiency and power-output bounds and the conditions for attaining these bounds. An extension of this model to multilevel systems shows that the QHM power output can be boosted by the multilevel degeneracy. These results are used to scrutinize basic thermodynamic principles: (i) Externally-driven/modulated QHMs may attain the Carnot efficiency bound, but when the driving is done by a quantum device ("piston"), the efficiency strongly depends on its initial quantum state. Such dependence has been unknown thus far. (ii) The refrigeration rate effected by QHMs does not vanish as the temperature approaches absolute zero for certain quantized baths, e.g., magnons, thous challenging Nernst's unattainability principle. (iii) System-bath correlations allow more work extraction under periodic control than that expected from the Szilard-Landauer principle, provided the period is in the non-Markovian domain. Thus, dynamically-controlled QHMs may benefit from hitherto unexploited thermodynamic resources.
NASA Astrophysics Data System (ADS)
Wang, Yan; Li, Jun; Chen, Liuyang; Lu, Yunpeng; Yang, Minghui; Guo, Hua
2015-10-01
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 H2 stretching and CH3 umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH3 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.
Wang, Yan; Li, Jun; Chen, Liuyang; Lu, Yunpeng; Yang, Minghui; Guo, Hua
2015-10-21
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 H2 stretching and CH3 umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH3 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. PMID:26493907
NASA Astrophysics Data System (ADS)
Teixidor, Marc Moix; Varandas, António J. C.
2015-10-01
Time-independent quantum reactive scattering studies are performed for the X + O2 ? OX + O reactions, where X = Mu, H, D and T are atomic hydrogen isotopes, using the accurate CHIPR potential energy surface (Varandas, 2013) and the popular ABC code. J-shifting thermal rate coefficients have been computed, thence extending our recently reported (Teixidor and Varandas, 2015) values for the reaction H (2 S) +O2 (3?g-) ? OH (2 ?) + O (3 P). The results are compared with each other and the best experimental and theoretical data available in the literature, with the effect of isotopic substitution on state-specific rate constants being highlighted.
Divisible quantum dynamics satisfies temporal Tsirelson's bound
Thao Le; Felix A. Pollock; Tomasz Paterek; Mauro Paternostro; Kavan Modi
2015-10-15
We show that divisibility of qubit quantum processes implies temporal Tsirelson's bound. We also prove that the classical bound of the temporal Bell's inequality holds for dynamics that can be described by entanglement-breaking channels---a more general class of dynamics than that allowed by classical physics.
Quantum walk coherences on a dynamical percolation graph
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-01-01
Coherent evolution governs the behaviour of all quantum systems, but in nature it is often subjected to influence of a classical environment. For analysing quantum transport phenomena quantum walks emerge as suitable model systems. In particular, quantum walks on percolation structures constitute an attractive platform for studying open system dynamics of random media. Here, we present an implementation of quantum walks differing from the previous experiments by achieving dynamical control of the underlying graph structure. We demonstrate the evolution of an optical time-multiplexed quantum walk over six double steps, revealing the intricate interplay between the internal and external degrees of freedom. The observation of clear non-Markovian signatures in the coin space testifies the high coherence of the implementation and the extraordinary degree of control of all system parameters. Our work is the proof-of-principle experiment of a quantum walk on a dynamical percolation graph, paving the way towards complex simulation of quantum transport in random media. PMID:26311434
Quantum walk coherences on a dynamical percolation graph.
Elster, Fabian; Barkhofen, Sonja; Nitsche, Thomas; Novotný, Jaroslav; Gábris, Aurél; Jex, Igor; Silberhorn, Christine
2015-01-01
Coherent evolution governs the behaviour of all quantum systems, but in nature it is often subjected to influence of a classical environment. For analysing quantum transport phenomena quantum walks emerge as suitable model systems. In particular, quantum walks on percolation structures constitute an attractive platform for studying open system dynamics of random media. Here, we present an implementation of quantum walks differing from the previous experiments by achieving dynamical control of the underlying graph structure. We demonstrate the evolution of an optical time-multiplexed quantum walk over six double steps, revealing the intricate interplay between the internal and external degrees of freedom. The observation of clear non-Markovian signatures in the coin space testifies the high coherence of the implementation and the extraordinary degree of control of all system parameters. Our work is the proof-of-principle experiment of a quantum walk on a dynamical percolation graph, paving the way towards complex simulation of quantum transport in random media. PMID:26311434
Quantum computing and information extraction for a dynamical quantum system
Giuliano Benenti; Giulio Casati; Simone Montangero
2004-02-02
We discuss the simulation of a complex dynamical system, the so-called quantum sawtooth map model, on a quantum computer. We show that a quantum computer can be used to efficiently extract relevant physical information for this model. It is possible to simulate the dynamical localization of classical chaos and extract the localization length of the system with quadratic speed up with respect to any known classical computation. We can also compute with algebraic speed up the diffusion coefficient and the diffusion exponent both in the regimes of Brownian and anomalous diffusion. Finally, we show that it is possible to extract the fidelity of the quantum motion, which measures the stability of the system under perturbations, with exponential speed up.
Fractional quantum mechanics on networks: Long-range dynamics and quantum transport
NASA Astrophysics Data System (ADS)
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.
Pang, Shan; Cheng, Ke; Yuan, Zhanqiang; Xu, Suyun; Cheng, Gang; Du, Zuliang
2014-05-19
The photoexcited electrons transfer dynamics of the CdS quantum dots (QDs) deposited in TiO{sub 2} nanowire array films are studied using surface photovoltage (SPV) and transient photovoltage (TPV) techniques. By comparing the SPV results with different thicknesses of QDs layers, we can separate the dynamic characteristics of photoexcited electrons injection and trapping. It is found that the TPV signals of photoexcited electrons trapped in the CdS QDs occur at timescales of about 2?×?10{sup ?8} s, which is faster than that of the photoexcited electrons injected from CdS into TiO{sub 2}. More than 90 nm of the thickness of the CdS QDs layer will seriously affect the photoexcited electrons transfer and injection.
Geometric origin of dynamically induced freezing of quantum evolution
Matos-Abiague, A.; Berakdar, J.
2006-02-15
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.
Quantum dynamics of bio-molecular systems in noisy environments
M. B. Plenio; S. F. Huelga
2012-02-05
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments. Firstly, we make a case for the systematic study of fundamental structural elements underlying the quantum dynamics of these systems, identify such elements and explore the resulting interplay of quantum dynamics and environmental decoherence. Secondly, we critically examine some existing approaches to the numerical description of system-environment interaction in the non-perturbative regime and present a promising new method that can overcome some limitations of existing methods. Thirdly, we present an approach towards deciding and quantifying the non-classicality of the action of the environment and the observed system-dynamics. We stress the relevance of these tools for strengthening the interplay between theoretical and experimental research in this field.
Robust dynamical decoupling for quantum computing and quantum memory.
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. PMID:21770554
Robust dynamical decoupling for quantum computing and quantum memory
Alexandre M. Souza; Gonzalo A. Alvarez; Dieter Suter
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.
Hybrid classical-quantum dynamics
Asher Peres; Daniel Terno
2000-08-15
A hybrid formalism is proposed for interacting classical and quantum sytems. This formalism is mathematically consistent and reduces to standard classical and quantum mechanics in the case of no interaction. However, in the presence of interaction, the correspondence principle is violated.
NASA Astrophysics Data System (ADS)
Distasio, Robert A., Jr.; Santra, Biswajit; Ko, Hsin-Yu; Car, Roberto
2014-03-01
In this work, we report highly accurate ab initio path-integral molecular dynamics (AI-PIMD) simulations on liquid water at ambient conditions utilizing the recently developed PBE0+vdW(SC) exchange-correlation functional, which accounts for exact exchange and a self-consistent pairwise treatment of van der Waals (vdW) or dispersion interactions, combined with nuclear quantum effects (via the colored-noise generalized Langevin equation). The importance of each of these effects in the theoretical prediction of the structure of liquid water will be demonstrated by a detailed comparative analysis of the predicted and experimental oxygen-oxygen (O-O), oxygen-hydrogen (O-H), and hydrogen-hydrogen (H-H) radial distribution functions as well as other structural properties. In addition, we will discuss the theoretically obtained proton momentum distribution, computed using the recently developed Feynman path formulation, in light of the experimental deep inelastic neutron scattering (DINS) measurements. DOE: DE-SC0008626, DOE: DE-SC0005180.
Dynamical localization in molecular alignment of kicked quantum rotors
NASA Astrophysics Data System (ADS)
Kamalov, A.; Broege, D. W.; Bucksbaum, P. H.
2015-07-01
The periodically ? -kicked quantum linear rotor is known to experience nonclassical bounded energy growth due to quantum dynamical localization in angular momentum space. We study the effect of random deviations of the kick period in simulations and experiments. This breaks the energy and angular momentum localization and increases the rotational alignment, which is the analog of the onset of Anderson localization in one-dimensional chains.
NASA Technical Reports Server (NTRS)
Wang, Dunyou
2003-01-01
A time-dependent wave-packet approach is presented for the quantum dynamics study of the AB+CDE reaction system for zero total angular momentum. A seven-degree-of-freedom calculation is employed to study the chemical reaction of H2+C2H yields H + C2H2 by treating C2H as a linear molecule. Initial state selected reaction probabilities are presented for various initial ro-vibrational states. This study shows that vibrational excitation of H2 enhances the reaction probability, whereas the excitation of C2H has only a small effect on the reactivity. An integral cross section is also reported for the initial ground states of H2 and C2H. The theoretical and experimental results agree with each other very well when the calculated seven dimensional results are adjusted to account for the lower transition state barrier heights found in recent ab initio calculations.
Bernardi, Rafael C; Pascutti, Pedro G
2012-07-10
Biomolecular dynamics studies using a QM/MM approach have been largely used especially to study enzymatic reactions. However, to the best of our knowledge, the very same approach has not been used to study the water/membrane interface using a quantum mechanical treatment for the lipids. Since a plethora of biochemical processes take place in this region, we believe that it is of primary importance to understand, at the level of molecular orbitals, the behavior of a drug in such an odd environment. In this work, we take advantage of an integration of the CPMD and the GROMACS code, using the Car-Parrinello method, to treat the benzocaine local anesthetic as well as two of the membrane lipids and the GROMOS force field to treat the remaining lipids and the water molecules. PMID:26588952
PT-Symmetric Quantum Liouvillean Dynamics
NASA Astrophysics Data System (ADS)
Prosen, Tomaž
2012-08-01
We discuss a combination of unitary and antiunitary symmetry of quantum Liouvillean dynamics, in the context of open quantum systems, which implies a D2 symmetry of the complex Liouvillean spectrum. For sufficiently weak system-bath coupling, it implies a uniform decay rate for all coherences, i.e., off-diagonal elements of the system’s density matrix taken in the eigenbasis of the Hamiltonian. As an example, we discuss symmetrically boundary driven open XXZ spin 1/2 chains.
Origin of Dynamical Quantum Non-locality
NASA Astrophysics Data System (ADS)
Pachon, Cesar E.; Pachon, Leonardo A.
2014-03-01
Non-locality is one of the hallmarks of quantum mechanics and is responsible for paradigmatic features such as entanglement and the Aharonov-Bohm effect. Non-locality comes in two ``flavours'': a kinematic non-locality- arising from the structure of the Hilbert space- and a dynamical non-locality- arising from the quantum equations of motion-. Kinematic non-locality is unable to induce any change in the probability distributions, so that the ``action-at-a-distance'' cannot manifest. Conversely, dynamical non-locality does create explicit changes in probability, though in a ``causality-preserving'' manner. The origin of non-locality of quantum measurements and its relations to the fundamental postulates of quantum mechanics, such as the uncertainty principle, have been only recently elucidated. Here we trace the origin of dynamical non-locality to the superposition principle. This relation allows us to establish and identify how the uncertainty and the superposition principles determine the non-local character of the outcome of a quantum measurement. Being based on group theoretical and path integral formulations, our formulation admits immediate generalizations and extensions to to, e.g., quantum field theory. This work was supported by the Departamento Administrativo de Ciencia, Tecnologia e Innovacion -COLCIENCIAS- of Colombia under the grant number 111556934912.
Quantum Simulation for Open-System Dynamics
NASA Astrophysics Data System (ADS)
Wang, Dong-Sheng; de Oliveira, Marcos Cesar; Berry, Dominic; Sanders, Barry
2013-03-01
Simulations are essential for predicting and explaining properties of physical and mathematical systems yet so far have been restricted to classical and closed quantum systems. Although forays have been made into open-system quantum simulation, the strict algorithmic aspect has not been explored yet is necessary to account fully for resource consumption to deliver bounded-error answers to computational questions. An open-system quantum simulator would encompass classical and closed-system simulation and also solve outstanding problems concerning, e.g. dynamical phase transitions in non-equilibrium systems, establishing long-range order via dissipation, verifying the simulatability of open-system dynamics on a quantum Turing machine. We construct an efficient autonomous algorithm for designing an efficient quantum circuit to simulate many-body open-system dynamics described by a local Hamiltonian plus decoherence due to separate baths for each particle. The execution time and number of gates for the quantum simulator both scale polynomially with the system size. DSW funded by USARO. MCO funded by AITF and Brazilian agencies CNPq and FAPESP through Instituto Nacional de Ciencia e Tecnologia-Informacao Quantica (INCT-IQ). DWB funded by ARC Future Fellowship (FT100100761). BCS funded by AITF, CIFAR, NSERC and USARO.
Hydration dynamics in water clusters via quantum molecular dynamics simulations
Turi, László
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 the non-cavity type model. Relaxation associated with cavity collapse presents, however, unique dynamical signatures.
An instability of unitary quantum dynamics
Jasper van Wezel
2015-02-26
Instabilities of equilibrium quantum mechanics are common and well-understood. They are manifested for example in phase transitions, where a quantum system becomes so sensitive to perturbations that a symmetry can be spontaneously broken. Here, we consider the possibility that the time evolution governing quantum dynamics may be similarly subject to an instability, at which its unitarity spontaneously breaks down owing to an extreme sensitivity towards perturbations. We find that indeed such an instability exists, and we explore its immediate consequences. Interpretations of the results both in terms of extreme sensitivity to the influence of environmental degrees of freedom, and in terms of a possible fundamental violation of unitarity are discussed.
Stochastic Quantum Dynamics II. Histories and Consistency Robert B. Griffiths
Griffiths, Robert B.
histories Quantum histories consist of a sequence of events at a series of times, but they are nowStochastic Quantum Dynamics II. Histories and Consistency Robert B. Griffiths Version of 29 January . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1.2 Quantum histories . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1
Quantum dynamics generated by the two-axis countertwisting Hamiltonian
NASA Astrophysics Data System (ADS)
Kajtoch, Dariusz; Witkowska, Emilia
2015-07-01
We study the quantum dynamics generated by the two-axis countertwisting Hamiltonian from an initial spin coherent state in a spin-1 /2 ensemble. A characteristic feature of the two-axis countertwisting Hamiltonian is the existence of four neutrally stable and two saddle unstable fixed points. The presence of the latter is responsible for a high level of squeezing. The squeezing is accompanied by the appearance of several quantum states of interest in quantum metrology with Heisenberg-limited sensitivity, and we show fidelity functions for some of them. We present exact results for the quantum Fisher information and the squeezing parameter. Although the overall time evolution of both changes strongly with the number of particles, we find that they have regular dynamics for short times. We explain scaling with the system size by using a Gaussian approach.
Efficient Quantum-State Estimation by Continuous Weak Measurement and Dynamical Control
Smith, Greg A.; Jessen, Poul S.; Silberfarb, Andrew; Deutsch, Ivan H.
2006-11-03
We demonstrate a fast, robust, and nondestructive protocol for quantum-state estimation based on continuous weak measurement in the presence of a controlled dynamical evolution. Our experiment uses optically probed atomic spins as a test bed and successfully reconstructs a range of trial states with fidelities of {approx}90%. The procedure holds promise as a practical diagnostic tool for the study of complex quantum dynamics, the testing of quantum hardware, and as a starting point for new types of quantum feedback control.
Quantum number projection at finite temperature via thermofield dynamics
Tanabe, K.; Nakada, H.
2005-02-01
Applying thermofield dynamics, we reformulate the exact quantum number projection in the finite-temperature Hartree-Fock-Bogoliubov theory. Explicit formulas are derived for the simultaneous projection of particle number and angular momentum, in parallel to the zero-temperature case. We also propose a practical method for the variation-after-projection calculation, by approximating entropy consistently with the Peierls inequality. Using quantum number projection in finite-temperature mean-field theory will be useful for studying the effects of quantum fluctuations associated with the conservation laws on thermal properties of nuclei.
A review of sigma models for quantum chaotic dynamics
NASA Astrophysics Data System (ADS)
Altland, Alexander; Gnutzmann, Sven; Haake, Fritz; Micklitz, Tobias
2015-07-01
We review the construction of the supersymmetric sigma model for unitary maps, using the color-flavor transformation. We then illustrate applications by three case studies in quantum chaos. In two of these cases, general Floquet maps and quantum graphs, we show that universal spectral fluctuations arise provided the pertinent classical dynamics are fully chaotic (ergodic and with decay rates sufficiently gapped away from zero). In the third case, the kicked rotor, we show how the existence of arbitrarily long-lived modes of excitation (diffusion) precludes universal fluctuations and entails quantum localization.
A review of sigma models for quantum chaotic dynamics.
Altland, Alexander; Gnutzmann, Sven; Haake, Fritz; Micklitz, Tobias
2015-07-01
We review the construction of the supersymmetric sigma model for unitary maps, using the color-flavor transformation. We then illustrate applications by three case studies in quantum chaos. In two of these cases, general Floquet maps and quantum graphs, we show that universal spectral fluctuations arise provided the pertinent classical dynamics are fully chaotic (ergodic and with decay rates sufficiently gapped away from zero). In the third case, the kicked rotor, we show how the existence of arbitrarily long-lived modes of excitation (diffusion) precludes universal fluctuations and entails quantum localization. PMID:26181515
Nuclear quantum dynamics in dense hydrogen
Kang, Dongdong; Sun, Huayang; Dai, Jiayu; Chen, Wenbo; Zhao, Zengxiu; Hou, Yong; Zeng, Jiaolong; Yuan, Jianmin
2014-01-01
Nuclear dynamics in dense hydrogen, which is determined by the key physics of large-angle scattering or many-body collisions between particles, is crucial for the dynamics of planet's evolution and hydrodynamical processes in inertial confinement confusion. Here, using improved ab initio path-integral molecular dynamics simulations, we investigated the nuclear quantum dynamics regarding transport behaviors of dense hydrogen up to the temperatures of 1?eV. With the inclusion of nuclear quantum effects (NQEs), the ionic diffusions are largely higher than the classical treatment by the magnitude from 20% to 146% as the temperature is decreased from 1?eV to 0.3?eV at 10?g/cm3, meanwhile, electrical and thermal conductivities are significantly lowered. In particular, the ionic diffusion is found much larger than that without NQEs even when both the ionic distributions are the same at 1?eV. The significant quantum delocalization of ions introduces remarkably different scattering cross section between protons compared with classical particle treatments, which explains the large difference of transport properties induced by NQEs. The Stokes-Einstein relation, Wiedemann-Franz law, and isotope effects are re-examined, showing different behaviors in nuclear quantum dynamics. PMID:24968754
129A Lecture Notes Quantum ElectroDynamics
Murayama, Hitoshi
#12;To satisfy this commutation relation, we introduce the photon creation and annihilation operators129A Lecture Notes Quantum ElectroDynamics 1 Quantum ElectroDynamics The true quantum mechanical calculations of quantum mechanical amplitudes are based on perturbation theory, organized in terms of Feynman
Semi-Classical Dynamics in Quantum Spin Systems
J. Froehlich; A. Knowles; E. Lenzmann
2007-09-28
We consider two limiting regimes, the large-spin and the mean-field limit, for the dynamical evolution of quantum spin systems. We prove that, in these limits, the time evolution of a class of quantum spin systems is determined by a corresponding Hamiltonian dynamics of classical spins. This result can be viewed as a Egorov-type theorem. We extend our results to the thermodynamic limit of lattice spin systems and continuum domains of infinite size, and we study the time evolution of coherent spin states in these limiting regimes.
Probing quantum dynamics of strongly interacting spin ensembles
NASA Astrophysics Data System (ADS)
Kucsko, Georg; Maurer, Peter; Choi, Joonhee; Yao, Norman; Choi, Soonwon; Knap, Michael; Gopalakrishnan, Sarang; Lukin, Mikhail; Harvard Univ Team
2015-05-01
Ensembles of strongly interacting spins offer an attractive platform for the study of many-body quantum dynamics. We present detailed study of the electronic spin dynamics within a diamond sample with very high nitrogen vacancy (NV) concentration (?80 ppm). Due to the small distance between neighboring NV centers, the spin-spin interactions dominate over decoherence. Furthermore, by utilizing dynamical decoupling techniques, it is possible to suppress decoherence and study many-body phenomena. In particular, we present investigation of the interplay between interactions and disorder in such a system.
Hammes-Schiffer, Sharon
Hydride Transfer in Liver Alcohol Dehydrogenase: Quantum Dynamics, Kinetic Isotope Effects dynamics of the hydride transfer reaction catalyzed by liver alcohol dehydrogenase (LADH) are studied and the coenzyme. I. Introduction Liver alcohol dehydrogenase (LADH) catalyzes the reversible oxidation of alcohols
Stochastic solution to quantum dynamics
NASA Technical Reports Server (NTRS)
John, Sarah; Wilson, John W.
1994-01-01
The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. The technique, which is developed and validated in two- and three- dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space.
Ultra-cold Atom CollisionsUltra-cold Atom Collisions and Quantum Dynamics atand Quantum Dynamics at
Band, Yehuda B.
Ultra-cold Atom CollisionsUltra-cold Atom Collisions and Quantum Dynamics atand Quantum Dynamics are available at Ben-Gurion University to carry out research in ultra-cold atomic and molecular physics
Computational Issues in the Control of Quantum Dynamics
NASA Astrophysics Data System (ADS)
Rabitz, Herschel
2003-03-01
Computational Issues in the Control of Quantum Dynamics Phenomena Herschel Rabitz Department of Chemistry Princeton University The control of quantum phenomena embraces a variety of applications, with the most common implementation involving tailored laser pulses to steer the dynamics of a quantum system towards some specified observable outcome. The theoretical and computational aspects of this subject are intimately tied to the growing experimental capabilities, especially the ability to perform massive numbers of high throughput experiments. Computational studies in this context have special roles. Especially important is the use of computational techniques to develop new control algorithms, which ultimately would be implemented in the laboratory to guide the control of complex quantum systems. Beyond control alone, many of the same concepts can be exploited for the performance of experiments optimally tuned for inversion, to extract Hamiltonian information. The latter scenario poses very high demands on the efficiency of solving the quantum dynamics equations to extract the information content from the experimental data. The concept of exploiting a computational quantum control tool kit will be introduced as a means for addressing many of these challenges.
Instability of quantum equilibrium in Bohm's dynamics
Colin, Samuel; Valentini, Antony
2014-01-01
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. PMID:25383020
Effective Evolution Equations from Quantum Dynamics
Niels Benedikter; Marcello Porta; Benjamin Schlein
2015-02-09
In these notes we review the material presented at the summer school on "Mathematical Physics, Analysis and Stochastics" held at the University of Heidelberg in July 2014. We consider the time-evolution of quantum systems and in particular the rigorous derivation of effective equations approximating the many-body Schr\\"odinger dynamics in certain physically interesting regimes.
Sampling of quantum dynamics at long time.
Sergi, Alessandro; Petruccione, Francesco
2010-03-01
The principle of energy conservation leads to a generalized choice of transition probability in a piecewise adiabatic representation of quantum(-classical) dynamics. Significant improvement (almost an order of magnitude, depending on the parameters of the calculation) over previous schemes is achieved. Perspectives for theoretical calculations in coherent many-body systems are opened. PMID:20365793
Quantum dissipative dynamics with a Surrogate Hamiltonian.
Koch, Christiane
Quantum dissipative dynamics with a Surrogate Hamiltonian. The method and applications D i s s e r-Markovian approaches . . . . . . . . . . . . . . . . . . . . 15 3 The method of the Surrogate Hamiltonian 19 3.1 The idea of the Surrogate Hamiltonian . . . . . . . . . . . . . 19 3.2 The interaction between system
Dynamical initial conditions in quantum cosmology.
Bojowald, M
2001-09-17
Loop quantum cosmology is shown to provide both the dynamical law and initial conditions for the wave function of a universe by one discrete evolution equation. Accompanied by the condition that semiclassical behavior is obtained at large volume, a unique wave function is predicted. PMID:11580498
Entangled quantum probes for dynamical environmental noise
Matteo A. C. Rossi; Matteo G. A. Paris
2015-03-11
We address the use of entangled qubits as quantum probes to characterize the dynamical noise induced by complex environments. In particular, we show that entangled probes improve estimation of the correlation time for a broad class of environmental noises compared to any sequential strategy involving single qubit preparation. The effect is present when the noise is faster than a threshold value, a regime which may always be achieved by tuning the coupling between the quantum probe and the environment inducing the noise. Our scheme exploits time-dependent sensitivity of quantum systems to decoherence and does not require dynamical control on the probes. We derive the optimal interaction time and the optimal probe preparation, showing that it corresponds to multiqubit GHZ states when entanglement is useful. We also show robustness of the scheme against depolarization or dephasing of the probe, and discuss simple measurements approaching optimal precision.
He, Qi-Liang; Xu, Jing-Bo; Yao, Dao-Xin; Department of Physics and Astronomy, University of Tennessee, Knoxville, TN 37996 ; Zhang, Ye-Qi
2013-07-15
We investigate the dynamics of quantum correlation between two noninteracting qubits each inserted in its own finite-temperature environment with 1/f spectral density. It is found that the phenomenon of sudden transition between classical and quantum decoherence exists in the system when two qubits are initially prepared in X-type quantum states, and the transition time depends on the initial-state of two qubits, the qubit–environment coupling constant and the temperature of the environment. Furthermore, we explore the influence of dynamical decoupling pulses on the transition time and show that it can be prolonged by applying the dynamical decoupling pulses. -- Highlights: •The sudden transition phenomenon from finite-temperature environments is studied. •The transition time depends on the environment temperature and the system parameters. •The transition time can be prolonged by applying the dynamical decoupling pulses.
Johannes Schachenmayer; Alexander Pikovski; Ana Maria Rey
2015-06-15
Interacting quantum spin models are remarkably useful for describing different types of physical, chemical, and biological systems. Significant understanding of their equilibrium properties has been achieved to date, especially for the case of spin models with short-range couplings. However, progress towards the development of a comparable understanding in long-range interacting models, in particular out-of-equilibrium, remains limited. In a recent work, we proposed a semiclassical numerical method to study spin models, the discrete truncated Wigner approximation (DTWA), and demonstrated its capability to correctly capture the dynamics of one- and two-point correlations in one dimensional (1D) systems. Here we go one step forward and use the DTWA method to study the dynamics of correlations in 2D systems with many spins and different types of long-range couplings, in regimes where other numerical methods are generally unreliable. We compute spatial and time-dependent correlations for spin-couplings that decay with distance as a power-law and determine the velocity at which correlations propagate through the system. Sharp changes in the behavior of those velocities are found as a function of the power-law decay exponent. Our predictions are relevant for a broad range of systems including solid state materials, atom-photon systems and ultracold gases of polar molecules, trapped ions, Rydberg, and magnetic atoms. We validate the DTWA predictions for small 2D systems and 1D systems, but ultimately, in the spirt of quantum simulation, experiments will be needed to confirm our predictions for large 2D systems.
NASA Astrophysics Data System (ADS)
Schachenmayer, J.; Pikovski, A.; Rey, A. M.
2015-06-01
Interacting quantum spin models are remarkably useful for describing different types of physical, chemical, and biological systems. Significant understanding of their equilibrium properties has been achieved to date, especially for the case of spin models with short-range couplings. However, progress toward the development of a comparable understanding in long-range interacting models, in particular out-of-equilibrium, remains limited. In a recent work, we proposed a semiclassical numerical method to study spin models, the discrete truncated Wigner approximation (DTWA), and demonstrated its capability to correctly capture the dynamics of one- and two-point correlations in one-dimensional (1D) systems. Here we go one step forward and use the DTWA method to study the dynamics of correlations in two-dimensional (2D) systems with many spins and different types of long-range couplings, in regimes where other numerical methods are generally unreliable. We compute spatial and time-dependent correlations for spin-couplings that decay with distance as a power-law and determine the velocity at which correlations propagate through the system. Sharp changes in the behavior of those velocities are found as a function of the power-law decay exponent. Our predictions are relevant for a broad range of systems including solid state materials, atom-photon systems and ultracold gases of polar molecules, trapped ions, Rydberg, and magnetic atoms. We validate the DTWA predictions for small 2D systems and 1D systems, but ultimately, in the spirt of quantum simulation, experiments will be needed to confirm our predictions for large 2D systems.
Numerical quantum gravity by dynamical triangulation
Kristin Schleich; Donald Witt
1996-12-07
Recently an alternate technique for numerical quantum gravity, dynamical triangulation, has been developed. In this method, the geometry is varied by adding and subtracting equilateral simplices from the simplicial complex. This method overcomes certain difficulties associated with the traditional approach in Regge calculus of varying geometry by varying edge lengths. However additional complications are introduced: three of the four moves in dynamical triangulation can violate the simplicial nature of the complex. Simulations indicate that the rate of these violations is significant. Thus additional conditions must be placed on the dynamical triangulation moves to ensure that the simplicial complex and its topology are preserved.
Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations
scat- tering events.1116 Currently, various quantum-classical mo- lecular dynamics MD schemes17Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations Oleg V, Austin, Texas 78712-1167 Received 25 April 1997; accepted 9 July 1997 The impact of quantum decoherence
NASA Astrophysics Data System (ADS)
Marvian, Iman; Spekkens, Robert W.
2014-12-01
Finding the consequences of symmetry for open-system quantum dynamics is a problem with broad applications, including describing thermal relaxation, deriving quantum limits on the performance of amplifiers, and exploring quantum metrology in the presence of noise. The symmetry of the dynamics may reflect a symmetry of the fundamental laws of nature or a symmetry of a low-energy effective theory, or it may describe a practical restriction such as the lack of a reference frame. In this paper, we apply some tools of harmonic analysis together with ideas from quantum information theory to this problem. The central idea is to study the decomposition of quantum operations—in particular, states, measurements, and channels—into different modes, which we call modes of asymmetry. Under symmetric processing, a given mode of the input is mapped to the corresponding mode of the output, implying that one can only generate a given output if the input contains all of the necessary modes. By defining monotones that quantify the asymmetry in a particular mode, we also derive quantitative constraints on the resources of asymmetry that are required to simulate a given asymmetric operation. We present applications of our results for deriving bounds on the probability of success in nondeterministic state transitions, such as quantum amplification, and a simplified formalism for studying the degradation of quantum reference frames.
Iman Marvian; Robert W. Spekkens
2014-12-05
Finding the consequences of symmetry for open system quantum dynamics is a problem with broad applications, including describing thermal relaxation, deriving quantum limits on the performance of amplifiers, and exploring quantum metrology in the presence of noise. The symmetry of the dynamics may reflect a symmetry of the fundamental laws of nature, a symmetry of a low-energy effective theory, or it may describe a practical restriction such as the lack of a reference frame. In this paper, we apply some tools of harmonic analysis together with ideas from quantum information theory to this problem. The central idea is to study the decomposition of quantum operations---in particular, states, measurements and channels---into different modes, which we call modes of asymmetry. Under symmetric processing, a given mode of the input is mapped to the corresponding mode of the output, implying that one can only generate a given output if the input contains all of the necessary modes. By defining monotones that quantify the asymmetry in a particular mode, we also derive quantitative constraints on the resources of asymmetry that are required to simulate a given asymmetric operation. We present applications of our results for deriving bounds on the probability of success in nondeterministic state transitions, such as quantum amplification, and a simplified formalism for studying the degradation of quantum reference frames.
Quantum dynamics in the thermodynamic limit
Wezel, Jasper van
2008-08-01
The description of spontaneous symmetry breaking that underlies the connection between classically ordered objects in the thermodynamic limit and their individual quantum-mechanical building blocks is one of the cornerstones of modern condensed-matter theory and has found applications in many different areas of physics. The theory of spontaneous symmetry breaking, however, is inherently an equilibrium theory, which does not address the dynamics of quantum systems in the thermodynamic limit. Here, we will use the example of a particular antiferromagnetic model system to show that the presence of a so-called thin spectrum of collective excitations with vanishing energy - one of the well-known characteristic properties shared by all symmetry-breaking objects - can allow these objects to also spontaneously break time-translation symmetry in the thermodynamic limit. As a result, that limit is found to be able, not only to reduce quantum-mechanical equilibrium averages to their classical counterparts, but also to turn individual-state quantum dynamics into classical physics. In the process, we find that the dynamical description of spontaneous symmetry breaking can also be used to shed some light on the possible origins of Born's rule. We conclude by describing an experiment on a condensate of exciton polaritons which could potentially be used to experimentally test the proposed mechanism.
Quantum algorithm for simulating the dynamics of an open quantum system
Hefeng Wang; S. Ashhab; Franco Nori
2011-06-21
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.
Lévy flights and nonlocal quantum dynamics
Garbaczewski, Piotr; Stephanovich, Vladimir
2013-07-15
We develop a fully fledged theory of quantum dynamical patterns of behavior that are nonlocally induced. To this end we generalize the standard Laplacian-based framework of the Schrödinger picture quantum evolution to that employing nonlocal (pseudodifferential) operators. Special attention is paid to the Salpeter (here, m? 0) quasirelativistic equation and the evolution of various wave packets, in particular to their radial expansion in 3D. Foldy's synthesis of “covariant particle equations” is extended to encompass free Maxwell theory, which however is devoid of any “particle” content. Links with the photon wave mechanics are explored.
Smooth Quantum Dynamics of Mixmaster Universe
Hervé Bergeron; Ewa Czuchry; Jean Pierre Gazeau; Przemys?aw Ma?kiewicz; W?odzimierz Piechocki
2015-01-09
We present a quantum version of the vacuum Bianchi IX model by implementing affine coherent state quantization combined with a Born-Oppenheimer-like adiabatic approximation. The analytical treatment is carried out on both quantum and semiclassical levels. The resolution of the classical singularity occurs by means of a repulsive potential generated by our quantization procedure. The quantization of the oscillatory degrees of freedom produces a radiation energy density term in the semiclassical constraint equation. The Friedmann-like lowest energy eigenstates of the system are found to be dynamically stable.
Smooth quantum dynamics of the mixmaster universe
NASA Astrophysics Data System (ADS)
Bergeron, Hervé; Czuchry, Ewa; Gazeau, Jean-Pierre; Ma?kiewicz, Przemys?aw; Piechocki, W?odzimierz
2015-09-01
We present a new approach to the vacuum Bianchi IX model by combining affine coherent state quantization with Born-Oppenheimer-type adiabatic approximation in the analogy with quantum molecular physics. The analytical treatment is carried out on both quantum and semiclassical levels. Our quantization method by itself generates a specific repulsive potential that resolves the classical singularity. The quantized oscillatory degrees of freedom behave as radiation energy density. The Friedmann-like lowest-energy eigenstates of the system are found to be dynamically stable against small anisotropy perturbations, in contrast to the classical case.
Quantum molecular Dynamics Ronnie Kosloff
Kosloff, Ronnie
demolition if Monotonic Energy Change #12;#12;#12;#12;#12;40 :Chirp Pulses Husimi Plot Frequency Transform Limit Positive Chirp Negative Chirp Time #12;Monotonic population transfer #12;Symmetry breaking #12;#12 #12;#12;#12;#12;#12;#12;#12;#12;#12;#12;#12;#12;#12;#12;#12;Li2 nuclear dynamics on the E state #12
Shepelyansky, Dima
Dynamical Localization and Repeated Measurements in a Quantum Computation Process M. Terraneo and D on a quantum computer. Contrary to the previous studies, which showed that measurements induce a diffusive information processing [14]. Indeed, the extraction of information from a quantum computation is always re
Quantum equivalence of a driven triple-well Van der Pol oscillator: A QTM study
NASA Astrophysics Data System (ADS)
Chakraborty, Debdutta; Chattaraj, Pratim Kumar
2014-06-01
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.
Arnold, Anton
Wolfgang Pauli Institute, c/o Inst. f. Mathematik, Univ. Wien, Strudlhofg. 4, A{1090 Wien, Austria 1 #12-Fock equations. It describes the time evolution of electrons in a quantum model respecting the Pauli principle not respect the \\Pauli exclusion principle" for fermions, hence the \\exchange e#11;ects" of electrons
The Kraus representation for the dynamics of open quantum systems
Jonas Maziero
2015-10-30
The necessity and usefulness of considering the interaction of a quantum system with the environment when describing its time evolution have been recognized in several branches of physics and of other sciences. The Kraus' representation is a general and succinct approach to describe such open system dynamics in a wide range of relevant physical scenarios. In this article, by abdicating from the generality of the formalism of quantum operations and thus avoiding its associated complications, we show in a simple manner how one can obtain the Kraus representation using basically the closed system (system plus environment) unitary dynamics and the partial trace function. The example of a two-level atom interacting with the vacuum of the electromagnetic field is regarded for the sake of instantiating this formalism, which is then applied to study the time evolution of the atom's quantum coherence.
NASA Astrophysics Data System (ADS)
Lukyanov, S. I.; Bandura, A. V.; Evarestov, R. A.
2013-05-01
This paper reports the results of a classical molecular dynamics (CMD) study of molecular water adsorption on MO2- and SrO-terminated SrMO3 (001) surfaces (M = Ti, Zr) at 300 K with ½ ML and 1 ML coverage. Models of the force fields for the water-crystalline oxide interfaces have been proposed. These force fields describe the oxide-oxide, water-oxide and water-water interactions, as well as interactions within the water molecule itself. The water-water and flexible water intramolecular potentials have been adopted from Toukan and Rahman (Phys. Rev. B 31 (1985) 2643-2648). The results of CMD simulations of the structure of the water layers at the oxide surfaces are discussed in terms of the most probable configurations. The power spectra of the water hydrogen velocity autocorrelation functions have been calculated using the CMD trajectories. The calculated power spectra permit us to consider the vibrational modes of the different structural species formed by the water molecules at the oxide surfaces and to analyse the level of binding of these species, both between themselves and to the surface.
Fu, Bina Zhang, Dong H.
2015-02-14
We employ the initial state-selected time-dependent wave packet approach to an atom-triatom reaction to study the H + HOD ? OH + HD/OD + H{sub 2} reaction without the centrifugal sudden approximation, based on an accurate potential energy surface which was recently developed by neural network fitting to high level ab initio energy points. The total reaction probabilities and integral cross sections, which are the exact coupled-channel results, are calculated for the HOD reactant initially in the ground and several vibrationally excited states, including the bending excited state, OD stretching excited states, OH stretching excited states, and combined excitations of them. The reactivity enhancements from different initial states of HOD are presented, which feature strong bond-selective effects of the reaction dynamics. The current results for the product branching ratios, reactivity enhancements, and relative cross sections are largely improved over the previous calculations, in quantitatively good agreement with experiment. The thermal rate constant for the title reaction and the contributions from individual vibrational states of HOD are also obtained.
Relativistic Quantum Metrology in Open System Dynamics
Tian, Zehua; Fan, Heng; Jing, Jiliang
2015-01-01
Quantum metrology studies the ultimate limit of precision in estimating a physical quantity if quantum strategies are exploited. Here we investigate the evolution of a two-level atom as a detector which interacts with a massless scalar field using the master equation approach for open quantum system. We employ local quantum estimation theory to estimate the Unruh temperature when probed by a uniformly accelerated detector in the Minkowski vacuum. In particular, we evaluate the Fisher information (FI) for population measurement, maximize its value over all possible detector preparations and evolution times, and compare its behavior with that of the quantum Fisher information (QFI). We find that the optimal precision of estimation is achieved when the detector evolves for a long enough time. Furthermore, we find that in this case the FI for population measurement is independent of initial preparations of the detector and is exactly equal to the QFI, which means that population measurement is optimal. This resul...
Anti-de Sitter universe dynamics in loop quantum cosmology
Bentivegna, Eloisa; Pawlowski, Tomasz
2008-06-15
A model for a flat isotropic universe with a negative cosmological constant {lambda} and a massless scalar field as sole matter content is studied within the framework of loop quantum cosmology. By application of the methods introduced for the model with {lambda}=0, the physical Hilbert space and the set of Dirac observables are constructed. As in that case, the scalar field plays here the role of an emergent time. The properties of the system are found to be similar to those of the k=1 Friedmann-Robertson-Walker (FRW) model: for small energy densities, the quantum dynamics reproduces the classical one, whereas, due to modifications at near-Planckian densities, the big bang and big crunch singularities are replaced by a quantum bounce connecting deterministically the large semiclassical epochs. Thus in loop quantum cosmology the evolution is qualitatively cyclic.
Spin dynamics and spin freezing at ferromagnetic quantum phase transitions
NASA Astrophysics Data System (ADS)
Schmakat, P.; Wagner, M.; Ritz, R.; Bauer, A.; Brando, M.; Deppe, M.; Duncan, W.; Duvinage, C.; Franz, C.; Geibel, C.; Grosche, F. M.; Hirschberger, M.; Hradil, K.; Meven, M.; Neubauer, A.; Schulz, M.; Senyshyn, A.; Süllow, S.; Pedersen, B.; Böni, P.; Pfleiderer, C.
2015-07-01
We report selected experimental results on the spin dynamics and spin freezing at ferromagnetic quantum phase transitions to illustrate some of the most prominent escape routes by which ferromagnetic quantum criticality is avoided in real materials. In the transition metal Heusler compound Fe2TiSn we observe evidence for incipient ferromagnetic quantum criticality. High pressure studies in MnSi reveal empirical evidence for a topological non-Fermi liquid state without quantum criticality. Single crystals of the hexagonal Laves phase compound Nb1- y Fe2+ y provide evidence of a ferromagnetic to spin density wave transition as a function of slight compositional changes. Last but not least, neutron depolarisation imaging in CePd1- x Rh x underscore evidence taken from the bulk properties of the formation of a Kondo cluster glass.
Oscillatory Dynamics and Non-Markovian Memory in Dissipative Quantum Systems
NASA Astrophysics Data System (ADS)
Kennes, D. M.; Kashuba, O.; Pletyukhov, M.; Schoeller, H.; Meden, V.
2013-03-01
The nonequilibrium dynamics of a small quantum system coupled to a dissipative environment is studied. We show that (i) the oscillatory dynamics close to a coherent-to-incoherent transition is significantly different from the one of the classical damped harmonic oscillator and that (ii) non-Markovian memory plays a prominent role in the time evolution after a quantum quench.
Chandar, Nellore Bhanu; Lo, Rabindranath; Ganguly, Bishwajit
2014-09-01
Dimethyl(pyridin-2-yl)sulfonium based oxime has been designed to reverse the aging process of organophosphorus inhibited AChE and to reactivate the aged-AChE adduct. We have employed DFT M05-2X/6-31G(?) level of theory in aqueous phase with polarizable continuum solvation model (PCM) for the methylation of phosphonate ester monoanion of the soman-aged adduct. The calculated free energy of activation for the methyl transfer process from designed dimethyl(phenyl)sulfonium (1) to aged AChE-OP adduct occurs with a barrier of 31.4kcal/mol at M05-2X/6-31G(?) level of theory, which is 6.4kcal/mol lower compared to the aging process signifies the preferential reversal process to recover the aged AChE-OP adduct. The pyridine ring containing alkylated sulfonium species, dimethyl(pyridin-2-yl)sulfonium (2), reduced the free energy of activation by 4.4kcal/mol compared to the previously reported alkylating agent N-methyl-2-methoxypyridinium species (A) for the alkylation of aged AChE-OP adduct. The free enzyme can be liberated from the inhibited acetylcholinesterase with the sulfonium compound decorated with an oxime group to avoid the administration of oxime drugs separately. The calculated potential energy surfaces show that the oxime based sulfonium compound (3) can effectively methylate the aged phosphonate ester monoanion of soman aged-adduct. The calculated global reactivity descriptors of the oxime 3 also shed light on this observation. To gain better understanding for protein drug interaction as well as the unbinding and conformational changes of the drug candidate in the active site of cholinesterase, steered molecular dynamics (SMD) simulation with 3 has been performed. Through a protein-drug interaction parameters (rupture force profiles, hydrogen bonds, hydrophobic interactions), geometrical and the orientation of drug-like candidate, the oxime 3 suggests to orchestrate the better reactivation process. The docking studies have been performed with 3 in the aged AChE and BChE to obtain the initial geometry of the SMD studies. The docking methods adopted in this study have been verified with the available crystal geometry of 1-methyl-2-(pentafluorobenzyloxyimino)pyridinium compound in aged soman inhibited human BChE (PDB code: 4B0P). The computational study suggests that the newly designed oxime is a potential candidate to reactivate the aged-AChE adduct. PMID:25218671
Towards robust dynamical decoupling and high fidelity adiabatic quantum computation
NASA Astrophysics Data System (ADS)
Quiroz, Gregory
Quantum computation (QC) relies on the ability to implement high-fidelity quantum gate operations and successfully preserve quantum state coherence. One of the most challenging obstacles for reliable QC is overcoming the inevitable interaction between a quantum system and its environment. Unwanted interactions result in decoherence processes that cause quantum states to deviate from a desired evolution, consequently leading to computational errors and loss of coherence. Dynamical decoupling (DD) is one such method, which seeks to attenuate the effects of decoherence by applying strong and expeditious control pulses solely to the system. Provided the pulses are applied over a time duration sufficiently shorter than the correlation time associated with the environment dynamics, DD effectively averages out undesirable interactions and preserves quantum states with a low probability of error, or fidelity loss. In this study various aspects of this approach are studied from sequence construction to applications of DD to protecting QC. First, a comprehensive examination of the error suppression properties of a near-optimal DD approach is given to understand the relationship between error suppression capabilities and the number of required DD control pulses in the case of ideal, instantaneous pulses. While such considerations are instructive for examining DD efficiency, i.e., performance vs the number of control pulses, high-fidelity DD in realizable systems is difficult to achieve due to intrinsic pulse imperfections which further contribute to decoherence. As a second consideration, it is shown how one can overcome this hurdle and achieve robustness and recover high-fidelity DD in the presence of faulty control pulses using Genetic Algorithm optimization and sequence symmetrization. Thirdly, to illustrate the implementation of DD in conjunction with QC, the utilization of DD and quantum error correction codes (QECCs) as a protection method for adiabatic quantum computing (AQC) is discussed. A performance comparison between two deterministic DD schemes is given, where preference towards one particular method is found due to sequence structure and procedure from which higher accuracy sequences are generated.
Dynamic dimensionality identification for quantum control.
Roslund, Jonathan; Rabitz, Herschel
2014-04-11
The control of quantum systems with shaped laser pulses presents a paradox since the relative ease with which solutions are discovered appears incompatible with the enormous variety of pulse shapes accessible with a standard pulse shaper. Quantum landscape theory indicates that the relevant search dimensionality is not dictated by the number of pulse shaper elements, but rather is related to the number of states participating in the controlled dynamics. The actual dimensionality is encoded within the sensitivity of the observed yield to all of the pulse shaper elements. To investigate this proposition, the Hessian matrix is measured for controlled transitions amongst states of atomic rubidium, and its eigendecomposition reveals a dimensionality consistent with that predicted by landscape theory. Additionally, this methodology furnishes a low-dimensional picture that captures the essence of the light-matter interaction and the ensuing system dynamics. PMID:24765949
From Entropic Dynamics to Quantum Theory
Caticha, Ariel
2009-12-08
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.
Entanglement Dynamics of Disordered Quantum XY Chains
Houssam Abdul-Rahman; Bruno Nachtergaele; Robert Sims; Günter Stolz
2015-10-01
We consider the dynamics of the quantum XY chain with disorder under the general assumption that the expectation of the eigenfunction correlator of the associated one-particle Hamiltonian satisfies a decay estimate typical of Anderson localization. We show that, starting from a broad class of product initial states, entanglement remains bounded for all times. For the XX chain, we also derive bounds on the particle transport which, in particular, show that the density profile of initial states that consist of fully occupied and empty intervals, only have significant dynamics near the edges of those intervals, uniformly for all times.
Timothy J. H. Hele
2015-08-24
We obtain thermostatted ring polymer molecular dynamics (TRPMD) from exact quantum dynamics via Matsubara dynamics, a recently-derived form of linearization which conserves the quantum Boltzmann distribution. Performing a contour integral in the complex quantum Boltzmann distribution of Matsubara dynamics, replacement of the imaginary Liouvillian which results with a Fokker-Planck term gives TRPMD. We thereby provide error terms between TRPMD and quantum dynamics and predict the systems in which they are likely to be small. Using a harmonic analysis we show that careful addition of friction causes the correct oscillation frequency of the higher ring-polymer normal modes in a harmonic well, which we illustrate with calculation of the position-squared autocorrelation function. However, no physical friction parameter will produce the correct fluctuation dynamics for a parabolic barrier. The results in this paper are consistent with previous numerical studies and advise the use of TRPMD for the computation of spectra.
Hele, Timothy J H
2015-01-01
We obtain thermostatted ring polymer molecular dynamics (TRPMD) from exact quantum dynamics via Matsubara dynamics, a recently-derived form of linearization which conserves the quantum Boltzmann distribution. Performing a contour integral in the complex quantum Boltzmann distribution of Matsubara dynamics, replacement of the imaginary Liouvillian which results with a Fokker-Planck term gives TRPMD. We thereby provide error terms between TRPMD and quantum dynamics and predict the systems in which they are likely to be small. Using a harmonic analysis we show that careful addition of friction causes the correct oscillation frequency of the higher ring-polymer normal modes in a harmonic well, which we illustrate with calculation of the position-squared autocorrelation function. However, no physical friction parameter will produce the correct fluctuation dynamics for a parabolic barrier. The results in this paper are consistent with previous numerical studies and advise the use of TRPMD for the computation of spe...
Momentum Dynamics of One Dimensional Quantum Walks
Ian Fuss; Langord B. White; Peter J. Sherman; Sanjeev Naguleswaran
2006-05-24
We derive the momentum space dynamic equations and state functions for one dimensional quantum walks by using linear systems and Lie group theory. The momentum space provides an analytic capability similar to that contributed by the z transform in discrete systems theory. The state functions at each time step are expressed as a simple sum of three Chebyshev polynomials. The functions provide an analytic expression for the development of the walks with time.
Zhang, Yu Chen, GuanHua; Yam, ChiYung
2015-04-28
A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can be suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.
Quantum dynamical framework for Brownian heat engines
NASA Astrophysics Data System (ADS)
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.
Quantum dynamical framework for Brownian heat engines.
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. PMID:23944437
Dynamics of Quantum Dot Photonic Crystal Lasers
Bryan Ellis; Ilya Fushman; Dirk Englund; Bingyang Zhang; Yoshihisa Yamamoto; Jelena Vuckovic
2007-03-07
Quantum dot photonic crystal membrane lasers were fabricated and the large signal modulation characteristics were studied. We find that the modulation characteristics of quantum dot lasers can be significantly improved using cavities with large spontaneous emission coupling factor. Our experiments show, and simulations confirm, that the modulation rate is limited by the rate of carrier capture into the dots to around 30GHz in our present system.
Quantum effects in unimolecular reaction dynamics
Gezelter, J.D.
1995-12-01
This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form {sup 3}B{sub 1} CH{sub 2} + {sup 1}{sigma}{sup +} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH{sub 3}COCl {yields} CH{sub 3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.
Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.
Liu, Jinfeng; Zhu, Tong; Wang, Xianwei; He, Xiao; Zhang, John Z H
2015-12-01
Developing ab initio molecular dynamics (AIMD) methods for practical application in protein dynamics is of significant interest. Due to the large size of biomolecules, applying standard quantum chemical methods to compute energies for dynamic simulation is computationally prohibitive. In this work, a fragment based ab initio molecular dynamics approach is presented for practical application in protein dynamics study. In this approach, the energy and forces of the protein are calculated by a recently developed electrostatically embedded generalized molecular fractionation with conjugate caps (EE-GMFCC) method. For simulation in explicit solvent, mechanical embedding is introduced to treat protein interaction with explicit water molecules. This AIMD approach has been applied to MD simulations of a small benchmark protein Trpcage (with 20 residues and 304 atoms) in both the gas phase and in solution. Comparison to the simulation result using the AMBER force field shows that the AIMD gives a more stable protein structure in the simulation, indicating that quantum chemical energy is more reliable. Importantly, the present fragment-based AIMD simulation captures quantum effects including electrostatic polarization and charge transfer that are missing in standard classical MD simulations. The current approach is linear-scaling, trivially parallel, and applicable to performing the AIMD simulation of proteins with a large size. PMID:26642993
Nonlinear gain dynamics of quantum dot optical amplifiers
NASA Astrophysics Data System (ADS)
Wegert, Miriam; Majer, Niels; Lüdge, Kathy; Dommers-Völkel, Sabine; Gomis-Bresco, Jordi; Knorr, Andreas; Woggon, Ulrike; Schöll, Eckehard
2011-01-01
In this work, the ultrafast gain dynamics of a quantum dot (QD)-based semiconductor optical amplifier (SOA) is modeled on the basis of semiconductor Bloch equations that include microscopically calculated nonlinear scattering rates between QD carriers and the surrounding carrier reservoir. This enables us to separately study the dynamics of electrons and holes inside the device as well as the coherent effects related to the fast polarization dynamics. We show that the optical pulse power and the dephasing time of the polarization mainly affect the gain depletion inside the active region, while the electric injection current density and thus the internal carrier dynamics influence the gain recovery. We observe that carrier-carrier scattering is the source of desynchronized behavior of electrons and holes in the recovery dynamics of QD-based SOAs. The amplification of pulse trains in the SOA predicted by our model agrees well with experimental data.
Technology Transfer Automated Retrieval System (TEKTRAN)
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 ...
Experimental Characterization of Quantum Dynamics Through Many-Body Interactions
Nigg, Daniel
We report on the implementation of a quantum process tomography technique known as direct characterization of quantum dynamics applied on coherent and incoherent single-qubit processes in a system of trapped [superscript ...
Observation-assisted optimal control of quantum dynamics
Feng Shuang; Alexander Pechen; Tak-San Ho; Herschel Rabitz
2007-05-31
This paper explores the utility of instantaneous and continuous observations in the optimal control of quantum dynamics. Simulations of the processes are performed on several multilevel quantum systems with the goal of population transfer. Optimal control fields are shown to be capable of cooperating or fighting with observations to achieve a good yield, and the nature of the observations may be optimized to more effectively control the quantum dynamics. Quantum observations also can break dynamical symmetries to increase the controllability of a quantum system. The quantum Zeno and anti-Zeno effects induced by observations are the key operating principles in these processes. The results indicate that quantum observations can be effective tools in the control of quantum dynamics.
Signatures of discrete breathers in coherent state quantum dynamics.
Igumenshchev, Kirill; Ovchinnikov, Misha; Maniadis, Panagiotis; Prezhdo, Oleg
2013-02-01
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 that involve a coherent state. PMID:23406095
Signatures of discrete breathers in coherent state quantum dynamics
Igumenshchev, Kirill; Ovchinnikov, Misha; Prezhdo, Oleg; Maniadis, Panagiotis
2013-02-07
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 that involve a coherent state.
Quantum Process Tomography Quantifies Coherence Transfer Dynamics in Vibrational Exciton
Chuntonov, Lev; Ma, Jianqiang
2013-01-01
Quantum coherence has been a subject of great interest in many scientific disciplines. However, detailed characterization of the quantum coherence in molecular systems, especially its transfer and relaxation mechanisms, still remains a major challenge. The difficulties arise in part because the spectroscopic signatures of the coherence transfer are typically overwhelmed by other excitation relaxation processes. We use quantum process tomography (QPT) via two-dimensional infrared spectroscopy to quantify the rate of the elusive coherence transfer between two vibrational exciton states. QPT retrieves the dynamics of the dissipative quantum system directly from the experimental observables. It thus serves as an experimental alternative to theoretical models of the system-bath interaction, and can be used to validate these theories. Our results for coupled carbonyl groups of a diketone molecule in chloroform, used as a benchmark system, reveal the non-secular nature of the interaction between the exciton and the Markovian bath and open the door for the systematic studies of the dissipative quantum systems dynamics in detail. PMID:24079417
Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning
NASA Technical Reports Server (NTRS)
Smelyanskiy, Vadius; vonToussaint, Udo V.; Timucin, Dogan A.; Clancy, Daniel (Technical Monitor)
2002-01-01
We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum exitation gap, gmin = O(n2(sup -n/2)), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.
Dynamics of Quantum Adiabatic Evolution Algorithm for Number Partitioning
NASA Technical Reports Server (NTRS)
Smelyanskiy, V. N.; Toussaint, U. V.; Timucin, D. A.
2002-01-01
We have developed a general technique to study the dynamics of the quantum adiabatic evolution algorithm applied to random combinatorial optimization problems in the asymptotic limit of large problem size n. We use as an example the NP-complete Number Partitioning problem and map the algorithm dynamics to that of an auxiliary quantum spin glass system with the slowly varying Hamiltonian. We use a Green function method to obtain the adiabatic eigenstates and the minimum excitation gap. g min, = O(n 2(exp -n/2), corresponding to the exponential complexity of the algorithm for Number Partitioning. The key element of the analysis is the conditional energy distribution computed for the set of all spin configurations generated from a given (ancestor) configuration by simultaneous flipping of a fixed number of spins. For the problem in question this distribution is shown to depend on the ancestor spin configuration only via a certain parameter related to 'the energy of the configuration. As the result, the algorithm dynamics can be described in terms of one-dimensional quantum diffusion in the energy space. This effect provides a general limitation of a quantum adiabatic computation in random optimization problems. Analytical results are in agreement with the numerical simulation of the algorithm.
Optical Nonlinearities and Ultrafast Carrier Dynamics in Semiconductor Quantum Dots
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.
Quantum dynamics of hydrogen atoms on graphene. II. Sticking
NASA Astrophysics Data System (ADS)
Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco
2015-09-01
Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.
Quantum Gravity, Dynamical Phase Space and String Theory
Laurent Freidel; Robert G. Leigh; Djordje Minic
2014-05-15
In a natural extension of the relativity principle we argue that a quantum theory of gravity involves two fundamental scales associated with both dynamical space-time as well as dynamical momentum space. This view of quantum gravity is explicitly realized in a new formulation of string theory which involves dynamical phase space and in which space-time is a derived concept. This formulation naturally unifies symplectic geometry of Hamiltonian dynamics, complex geometry of quantum theory and real geometry of general relativity. The space-time and momentum space dynamics, and thus dynamical phase space, is governed by a new version of the Renormalization Group.
Full quantum dynamics of the electronic coupling between photosynthetic pigments
Oviedo, María Belén
2015-01-01
From studying the time evolution of the single electron density matrix within a density functional tight-binding formalism we study in a fully atomistic picture the electronic excitation transfer between two photosynthetic pigments in real time. This time-dependent quantum dynamics is based on fully atomistic structural models of the photosynthetic pigment. We analyze the dependence of the electronic excitation transfer with distance and orientation between photosynthetic pigments. We compare the results obtained from full quantum dynamics with analytical ones, based on a two level system model were the interaction between the pigments is dipolar. We observed that even when the distance of the photosynthetic pigment is about $30$ \\AA\\ the deviation of the dipolarity is of about $15$ percent.
Dynamical conductivity of disordered quantum Hall stripes
NASA Astrophysics Data System (ADS)
Li, Mei-Rong; Fertig, H. A.; Côté, R.; Yi, Hangmo
2005-04-01
We present a detailed theory for finite-frequency conductivities Re[???(?)] of quantum Hall stripes, which form at Landau level N?2 close to half-filling, in the presence of weak Gaussian disorder. We use an effective elastic theory to describe the low-energy dynamics of the stripes with the dynamical matrix being determined through matching the density-density correlation function obtained in the microscopic time-dependent Hartree-Fock approximation. We then apply replicas and the Gaussian variational method to deal with the disorder. Within this method, a set of saddle point equations for the retarded self-energies are obtained, which are solved numerically to get Re[???(?)] . We find a quantum depinning transition as ?? , the fractional part of the filling factor, approaches a critical value ??c from below. For ??quantum depinning transition is in the Kosterlitz-Thouless universality class. The result is consistent with a previous renormalization group analysis.
Chaos and Nonlinear Dynamics in a Quantum Artificial Economy
Carlos Pedro Gonçalves
2012-02-29
Chaos and nonlinear economic dynamics are addressed for a quantum coupled map lattice model of an artificial economy, with quantized supply and demand equilibrium conditions. The measure theoretic properties and the patterns that emerge in both the economic business volume dynamics' diagrams as well as in the quantum mean field averages are addressed and conclusions are drawn in regards to the application of quantum chaos theory to address signatures of chaotic dynamics in relevant discrete economic state variables.
Simulation of chemical reaction dynamics on an NMR quantum computer
Dawei Lu; Nanyang Xu; Ruixue Xu; Hongwei Chen; Jiangbin Gong; Xinhua Peng; Jiangfeng Du
2011-05-21
Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer. One promising application of quantum simulation is to attack challenging quantum chemistry problems. Here we report an experimental demonstration that a small nuclear-magnetic-resonance (NMR) quantum computer is already able to simulate the dynamics of a prototype chemical reaction. The experimental results agree well with classical simulations. We conclude that the quantum simulation of chemical reaction dynamics not computable on current classical computers is feasible in the near future.
Cao, Jianshu
Higher-order kinetic expansion of quantum dissipative dynamics: Mapping quantum networks to kinetic.1063/1.4812781 View online: http://dx.doi.org/10.1063/1.4812781 View Table of Contents: http://jcp.aip.org/resource/1 OF CHEMICAL PHYSICS 139, 044102 (2013) Higher-order kinetic expansion of quantum dissipative dynamics: Mapping
Relativistic quantum metrology in open system dynamics.
Tian, Zehua; Wang, Jieci; Fan, Heng; Jing, Jiliang
2015-01-01
Quantum metrology studies the ultimate limit of precision in estimating a physical quantity if quantum strategies are exploited. Here we investigate the evolution of a two-level atom as a detector which interacts with a massless scalar field using the master equation approach for open quantum system. We employ local quantum estimation theory to estimate the Unruh temperature when probed by a uniformly accelerated detector in the Minkowski vacuum. In particular, we evaluate the Fisher information (FI) for population measurement, maximize its value over all possible detector preparations and evolution times, and compare its behavior with that of the quantum Fisher information (QFI). We find that the optimal precision of estimation is achieved when the detector evolves for a long enough time. Furthermore, we find that in this case the FI for population measurement is independent of initial preparations of the detector and is exactly equal to the QFI, which means that population measurement is optimal. This result demonstrates that the achievement of the ultimate bound of precision imposed by quantum mechanics is possible. Finally, we note that the same configuration is also available to the maximum of the QFI itself. PMID:25609187
Relativistic Quantum Metrology in Open System Dynamics
Zehua Tian; Jieci Wang; Heng Fan; Jiliang Jing
2015-01-27
Quantum metrology studies the ultimate limit of precision in estimating a physical quantity if quantum strategies are exploited. Here we investigate the evolution of a two-level atom as a detector which interacts with a massless scalar field using the master equation approach for open quantum system. We employ local quantum estimation theory to estimate the Unruh temperature when probed by a uniformly accelerated detector in the Minkowski vacuum. In particular, we evaluate the Fisher information (FI) for population measurement, maximize its value over all possible detector preparations and evolution times, and compare its behavior with that of the quantum Fisher information (QFI). We find that the optimal precision of estimation is achieved when the detector evolves for a long enough time. Furthermore, we find that in this case the FI for population measurement is independent of initial preparations of the detector and is exactly equal to the QFI, which means that population measurement is optimal. This result demonstrates that the achievement of the ultimate bound of precision imposed by quantum mechanics is possible. Finally, we note that the same configuration is also available to the maximum of the QFI itself.
Relativistic Quantum Metrology in Open System Dynamics
Tian, Zehua; Wang, Jieci; Fan, Heng; Jing, Jiliang
2015-01-01
Quantum metrology studies the ultimate limit of precision in estimating a physical quantity if quantum strategies are exploited. Here we investigate the evolution of a two-level atom as a detector which interacts with a massless scalar field using the master equation approach for open quantum system. We employ local quantum estimation theory to estimate the Unruh temperature when probed by a uniformly accelerated detector in the Minkowski vacuum. In particular, we evaluate the Fisher information (FI) for population measurement, maximize its value over all possible detector preparations and evolution times, and compare its behavior with that of the quantum Fisher information (QFI). We find that the optimal precision of estimation is achieved when the detector evolves for a long enough time. Furthermore, we find that in this case the FI for population measurement is independent of initial preparations of the detector and is exactly equal to the QFI, which means that population measurement is optimal. This result demonstrates that the achievement of the ultimate bound of precision imposed by quantum mechanics is possible. Finally, we note that the same configuration is also available to the maximum of the QFI itself. PMID:25609187
Signature of Quantum Depletion in the Dynamic Structure Factor of Atomic Gases
H. P. Buchler; G. Blatter
2003-12-19
We study the linear response and the dynamic structure factor of weakly interacting Bose gases at low temperatures. Going beyond lowest order in the weak coupling expansion allows us to determine the contribution of the thermal and quantum depletion of the condensate to the dynamic structure factor. We find that the quantum depletion produces a pronounced peak in the dynamic structure factor, which allows for its detection via a spectroscopic analysis.
Dynamical Causal Modeling from a Quantum Dynamical Perspective
Demiralp, Emre; Demiralp, Metin
2010-09-30
Recent research suggests that any set of first order linear vector ODEs can be converted to a set of specific vector ODEs adhering to what we have called ''Quantum Harmonical Form (QHF)''. QHF has been developed using a virtual quantum multi harmonic oscillator system where mass and force constants are considered to be time variant and the Hamiltonian is defined as a conic structure over positions and momenta to conserve the Hermiticity. As described in previous works, the conversion to QHF requires the matrix coefficient of the first set of ODEs to be a normal matrix. In this paper, this limitation is circumvented using a space extension approach expanding the potential applicability of this method. Overall, conversion to QHF allows the investigation of a set of ODEs using mathematical tools available to the investigation of the physical concepts underlying quantum harmonic oscillators. The utility of QHF in the context of dynamical systems and dynamical causal modeling in behavioral and cognitive neuroscience is briefly discussed.
Dynamical Causal Modeling from a Quantum Dynamical Perspective
NASA Astrophysics Data System (ADS)
Demiralp, Emre; Demiralp, Metin
2010-09-01
Recent research suggests that any set of first order linear vector ODEs can be converted to a set of specific vector ODEs adhering to what we have called "Quantum Harmonical Form (QHF)". QHF has been developed using a virtual quantum multi harmonic oscillator system where mass and force constants are considered to be time variant and the Hamiltonian is defined as a conic structure over positions and momenta to conserve the Hermiticity. As described in previous works, the conversion to QHF requires the matrix coefficient of the first set of ODEs to be a normal matrix. In this paper, this limitation is circumvented using a space extension approach expanding the potential applicability of this method. Overall, conversion to QHF allows the investigation of a set of ODEs using mathematical tools available to the investigation of the physical concepts underlying quantum harmonic oscillators. The utility of QHF in the context of dynamical systems and dynamical causal modeling in behavioral and cognitive neuroscience is briefly discussed.
Quantum corrections to inflaton and curvaton dynamics
Markkanen, Tommi; Tranberg, Anders E-mail: anders.tranberg@nbi.dk
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.
Sun, Zhaopeng; Yang, Chuanlu; Zheng, Yujun
2015-12-14
We present a detailed theoretical approach to investigate the laser-induced dissociation dynamics of a triatomic molecule on its electronic excited state in full dimensional case. In this method, the time evolution of the time-dependent system is propagated via combined the split operator method and the expansion of Chebyshev polynomials (or short-time Chebyshev propagation) and the system wave functions are expanded in terms of molecular rotational bases. As an example of the application of this formalism, the dissociation dynamics of H3 (+)?H2 (+)+H induced by ultrashort UV laser pulses are investigated on new Born-Oppenheimer potential energy surfaces. Our numerical results show that the signals of dissociation products will be easier to observe as the increasing of field strength. Driving by a 266 nm laser beam, the calculated central value of kinetic-energy-release is 2.04 eV which shows excellent agreement with the experimental estimation of 2.1 eV. When the H3 (+) ion is rotationally excited, the spatial distribution of product fragments will become well converged. PMID:26671377
Quantum Newtonian dynamics on a light front
Thorn, C.B.
1999-01-01
We recall the special features of quantum dynamics on a light front (in an infinite momentum frame) in string and field theory. The reason this approach is more effective for string than for fields is stressed: the light-front dynamics for string is that of a true Newtonian many particle system, since a string bit has a fixed Newtonian mass. In contrast, each particle of a field theory has a variable Newtonian mass P{sup +}; so the Newtonian analogy actually requires an infinite number of species of elementary Newtonian particles. This complication substantially weakens the value of the Newtonian analogy in applying light-front dynamics to nonperturbative problems. Motivated by the fact that conventional field theories can be obtained as infinite tension limits of string theories, we propose a way to recast field theory as a standard Newtonian system. We devise and analyze some simple quantum mechanical systems that display the essence of the proposal, and we discuss prospects for applying these ideas to large N{sub c} QCD. {copyright} {ital 1998} {ital The American Physical Society}
Quantum resource studied from the perspective of quantum state superposition
NASA Astrophysics Data System (ADS)
Wu, Chengjun; Li, Junhui; Luo, Bin; Guo, Hong
2015-11-01
Quantum resources, such as discord and entanglement, are crucial in quantum information processing. In this paper, quantum resources are studied from the aspect of quantum state superposition. We define the local superposition (LS) as the superposition between basis of single part, and nonlocal superposition (NLS) as the superposition between product basis of multiple parts. For quantum resource with nonzero LS, quantum operation must be introduced to prepare it, and for quantum resource with nonzero NLS, nonlocal quantum operation must be introduced to prepare it. We prove that LS vanishes if and only if the state is classical and NLS vanishes if and only if the state is separable. From this superposition aspect, quantum resources are categorized as superpositions existing in different parts. These results are helpful to study quantum resources from a unified frame.
Dynamical evolutions and coherences in a quantum heat engine
NASA Astrophysics Data System (ADS)
Osman, Kariman I.; Joshi, Amitabh
2014-09-01
The effect of spontaneously generated coherence (SGC) on the quantum heat engine (QHE) consisting of a laser system is studied in terms of its dynamical evolution and the generation of coherences. The QHE is coupled to the two thermal photon reservoirs, a squeezed thermal bath as well as to a cavity mode. The coherence associated with the transition interacting with squeezed reservoir and the average thermal photon number of the hot (as well as cold) reservoir shows a non monotonous behavior between them. The dynamics along with generated coherences of the system and the laser power emitted depend sensitively on the hot, cold and squeezed reservoir parameters.
Emergence of coherence and the dynamics of quantum phase transitions.
Braun, Simon; Friesdorf, Mathis; Hodgman, Sean S; Schreiber, Michael; Ronzheimer, Jens Philipp; Riera, Arnau; Del Rey, Marco; Bloch, Immanuel; Eisert, Jens; Schneider, Ulrich
2015-03-24
The dynamics of quantum phase transitions pose one of the most challenging problems in modern many-body physics. Here, we study a prototypical example in a clean and well-controlled ultracold atom setup by observing the emergence of coherence when crossing the Mott insulator to superfluid quantum phase transition. In the 1D Bose-Hubbard model, we find perfect agreement between experimental observations and numerical simulations for the resulting coherence length. We, thereby, perform a largely certified analog quantum simulation of this strongly correlated system reaching beyond the regime of free quasiparticles. Experimentally, we additionally explore the emergence of coherence in higher dimensions, where no classical simulations are available, as well as for negative temperatures. For intermediate quench velocities, we observe a power-law behavior of the coherence length, reminiscent of the Kibble-Zurek mechanism. However, we find nonuniversal exponents that cannot be captured by this mechanism or any other known model. PMID:25775515
Emergence of coherence and the dynamics of quantum phase transitions
Braun, Simon; Friesdorf, Mathis; Hodgman, Sean S.; Schreiber, Michael; Ronzheimer, Jens Philipp; Riera, Arnau; del Rey, Marco; Bloch, Immanuel; Eisert, Jens
2015-01-01
The dynamics of quantum phase transitions pose one of the most challenging problems in modern many-body physics. Here, we study a prototypical example in a clean and well-controlled ultracold atom setup by observing the emergence of coherence when crossing the Mott insulator to superfluid quantum phase transition. In the 1D Bose–Hubbard model, we find perfect agreement between experimental observations and numerical simulations for the resulting coherence length. We, thereby, perform a largely certified analog quantum simulation of this strongly correlated system reaching beyond the regime of free quasiparticles. Experimentally, we additionally explore the emergence of coherence in higher dimensions, where no classical simulations are available, as well as for negative temperatures. For intermediate quench velocities, we observe a power-law behavior of the coherence length, reminiscent of the Kibble–Zurek mechanism. However, we find nonuniversal exponents that cannot be captured by this mechanism or any other known model. PMID:25775515
Quantum dynamics of CO-H? in full dimensionality.
Yang, Benhui; Zhang, P; Wang, X; Stancil, P C; Bowman, J M; Balakrishnan, N; Forrey, R C
2015-01-01
Accurate rate coefficients for molecular vibrational transitions due to collisions with H?, critical for interpreting infrared astronomical observations, are lacking for most molecules. Quantum calculations are the primary source of such data, but reliable values that consider all internal degrees of freedom of the collision complex have only been reported for H?-H? due to the difficulty of the computations. Here we present essentially exact, full-dimensional dynamics computations for rovibrational quenching of CO due to H? impact. Using a high-level six-dimensional potential surface, time-independent scattering calculations, within a full angular momentum coupling formulation, were performed for the de-excitation of vibrationally excited CO. Agreement with experimentally determined results confirms the accuracy of the potential and scattering computations, representing the largest of such calculations performed to date. This investigation advances computational quantum dynamical studies representing initial steps towards obtaining CO-H? rovibrational quenching data needed for astrophysical modelling. PMID:25800802
Hidden symmetries of dynamics in classical and quantum physics
NASA Astrophysics Data System (ADS)
Cariglia, Marco
2014-10-01
This article reviews the role of hidden symmetries of dynamics in the study of physical systems, from the basic concepts of symmetries in phase space to the forefront of current research. Such symmetries emerge naturally in the description of physical systems as varied as nonrelativistic, relativistic, with or without gravity, classical or quantum, and are related to the existence of conserved quantities of the dynamics and integrability. In recent years their study has grown intensively, due to the discovery of nontrivial examples that apply to different types of theories and different numbers of dimensions. Applications encompass the study of integrable systems such as spinning tops, the Calogero model, systems described by the Lax equation, the physics of higher-dimensional black holes, the Dirac equation, and supergravity with and without fluxes, providing a tool to probe the dynamics of nonlinear systems.
Quantum Ice : a quantum Monte Carlo study
Nic Shannon; Olga Sikora; Frank Pollmann; Karlo Penc; Peter Fulde
2011-12-13
Ice states, in which frustrated interactions lead to a macroscopic ground-state degeneracy, occur in water ice, in problems of frustrated charge order on the pyrochlore lattice, and in the family of rare-earth magnets collectively known as spin ice. Of particular interest at the moment are "quantum spin ice" materials, where large quantum fluctuations may permit tunnelling between a macroscopic number of different classical ground states. Here we use zero-temperature quantum Monte Carlo simulations to show how such tunnelling can lift the degeneracy of a spin or charge ice, stabilising a unique "quantum ice" ground state --- a quantum liquid with excitations described by the Maxwell action of 3+1-dimensional quantum electrodynamics. We further identify a competing ordered "squiggle" state, and show how both squiggle and quantum ice states might be distinguished in neutron scattering experiments on a spin ice material.
Quantum ice: a quantum Monte Carlo study.
Shannon, Nic; Sikora, Olga; Pollmann, Frank; Penc, Karlo; Fulde, Peter
2012-02-10
Ice states, in which frustrated interactions lead to a macroscopic ground-state degeneracy, occur in water ice, in problems of frustrated charge order on the pyrochlore lattice, and in the family of rare-earth magnets collectively known as spin ice. Of particular interest at the moment are "quantum spin-ice" materials, where large quantum fluctuations may permit tunnelling between a macroscopic number of different classical ground states. Here we use zero-temperature quantum Monte Carlo simulations to show how such tunnelling can lift the degeneracy of a spin or charge ice, stabilizing a unique "quantum-ice" ground state-a quantum liquid with excitations described by the Maxwell action of (3+1)-dimensional quantum electrodynamics. We further identify a competing ordered squiggle state, and show how both squiggle and quantum-ice states might be distinguished in neutron scattering experiments on a spin-ice material. PMID:22401117
Quantum dynamics of the damped harmonic oscillator
NASA Astrophysics Data System (ADS)
Philbin, T. G.
2012-08-01
The quantum theory of the damped harmonic oscillator has been a subject of continual investigation since the 1930s. The obstacle to quantization created by the dissipation of energy is usually dealt with by including a discrete set of additional harmonic oscillators as a reservoir. But a discrete reservoir cannot directly yield dynamics such as Ohmic damping (proportional to velocity) of the oscillator of interest. By using a continuum of oscillators as a reservoir, we canonically quantize the harmonic oscillator with Ohmic damping and also with general damping behaviour. The dynamics of a damped oscillator is determined by an arbitrary effective susceptibility that obeys the Kramers-Kronig relations. This approach offers an alternative description of nano-mechanical oscillators and opto-mechanical systems.
Quantum dynamics of the damped harmonic oscillator
T. G. Philbin
2012-05-11
The quantum theory of the damped harmonic oscillator has been a subject of continual investigation since the 1930s. The obstacle to quantization created by the dissipation of energy is usually dealt with by including a discrete set of additional harmonic oscillators as a reservoir. But a discrete reservoir cannot directly yield dynamics such as Ohmic damping (proportional to velocity) of the oscillator of interest. By using a continuum of oscillators as a reservoir, we canonically quantize the harmonic oscillator with Ohmic damping and also with general damping behaviour. The dynamics of a damped oscillator is determined by an arbitrary effective susceptibility that obeys Kramers-Kronig relations. This approach offers an alternative description of nano-mechanical oscillators and opto-mechanical systems.
Polymer Quantum Dynamics of the Taub Universe
Marco Valerio Battisti; Orchidea Maria Lecian; Giovanni Montani
2008-11-17
Within the framework of non-standard (Weyl) representations of the canonical commutation relations, we investigate the polymer quantization of the Taub cosmological model. The Taub model is analyzed within the Arnowitt-Deser-Misner reduction of its dynamics, by which a time variable arises. While the energy variable and its conjugate momentum are treated as ordinary Heisenberg operators, the anisotropy variable and its conjugate momentum are represented by the polymer technique. The model is analyzed at both classical and quantum level. As a result, classical trajectories flatten with respect to the potential wall, and the cosmological singularity is not probabilistically removed. In fact, the dynamics of the wave packets is characterized by an interference phenomenon, which, however, is not able to stop the evolution towards the classical singularity.
Rekik, Najeh; Freedman, Holly; Hanna, Gabriel; Hsieh, Chang-Yu
2013-04-14
We apply two approximate solutions of the quantum-classical Liouville equation (QCLE) in the mapping representation to the simulation of the laser-induced response of a quantum subsystem coupled to a classical environment. These solutions, known as the Poisson Bracket Mapping Equation (PBME) and the Forward-Backward (FB) trajectory solutions, involve simple algorithms in which the dynamics of both the quantum and classical degrees of freedom are described in terms of continuous variables, as opposed to standard surface-hopping solutions in which the classical degrees of freedom hop between potential energy surfaces dictated by the discrete adiabatic state of the quantum subsystem. The validity of these QCLE-based solutions is tested on a non-trivial electron transfer model involving more than two quantum states, a time-dependent Hamiltonian, strong subsystem-bath coupling, and an initial energy shift between the donor and acceptor states that depends on the strength of the subsystem-bath coupling. In particular, we calculate the time-dependent population of the photoexcited donor state in response to an ultrafast, on-resonance pump pulse in a three-state model of an electron transfer complex that is coupled asymmetrically to a bath of harmonic oscillators through the optically dark acceptor state. Within this approach, the three-state electron transfer complex is treated quantum mechanically, while the bath oscillators are treated classically. When compared to the more accurate QCLE-based surface-hopping solution and to the numerically exact quantum results, we find that the PBME solution is not capable of qualitatively capturing the population dynamics, whereas the FB solution is. However, when the subsystem-bath coupling is decreased (which also decreases the initial energy shift between the donor and acceptor states) or the initial shift is removed altogether, both the PBME and FB results agree better with the QCLE-based surface-hopping results. These findings highlight the challenges posed by various conditions such as a time-dependent external field, the strength of the subsystem-bath coupling, and the degree of asymmetry on the accuracy of the PBME and FB algorithms.
NASA Astrophysics Data System (ADS)
Hanson, David E.; Martin, Richard L.
2010-08-01
We investigate the thermodynamic consequences of the distribution of rotational conformations of polyisoprene on the elastic response of a network chain. In contrast to the classical theory of rubber elasticity, which associates the elastic force with the distribution of end-to-end distances, we find that the distribution of chain contour lengths provides a simple mechanism for an elastic force. Entropic force constants were determined for small contour length extensions of chains constructed as a series of localized kinks, with each kink containing between one and five cis-1,4-isoprene units. The probability distributions for the kink end-to-end distances were computed by two methods: (1) by constructing a Boltzmann distribution from the lengths corresponding to the minimum energy dihedral rotational conformations, obtained by optimizing isoprene using first principles density functional theory, and (2) by sampling the trajectories of molecular dynamics simulations of an isolated molecule composed of five isoprene units. Analogous to the well-known tube model of elasticity, we make the assumption that, for small strains, the chain is constrained by its surrounding tube, and can only move, by a process of reptation, along the primitive path of the contour. Assuming that the chain entropy is Boltzmann's constant times the logarithm of the contour length distribution, we compute the tensile force constants for chain contour length extension as the change in entropy times the temperature. For a chain length typical of moderately crosslinked rubber networks (78 isoprene units), the force constants range between 0.004 and 0.033 N/m, depending on the kink size. For a cross-linked network, these force constants predict an initial tensile modulus of between 3 and 8 MPa, which is comparable to the experimental value of 1 MPa. This mechanism is also consistent with other thermodynamic phenomenology.
Hanson, David E; Martin, Richard L
2010-08-28
We investigate the thermodynamic consequences of the distribution of rotational conformations of polyisoprene on the elastic response of a network chain. In contrast to the classical theory of rubber elasticity, which associates the elastic force with the distribution of end-to-end distances, we find that the distribution of chain contour lengths provides a simple mechanism for an elastic force. Entropic force constants were determined for small contour length extensions of chains constructed as a series of localized kinks, with each kink containing between one and five cis-1,4-isoprene units. The probability distributions for the kink end-to-end distances were computed by two methods: (1) by constructing a Boltzmann distribution from the lengths corresponding to the minimum energy dihedral rotational conformations, obtained by optimizing isoprene using first principles density functional theory, and (2) by sampling the trajectories of molecular dynamics simulations of an isolated molecule composed of five isoprene units. Analogous to the well-known tube model of elasticity, we make the assumption that, for small strains, the chain is constrained by its surrounding tube, and can only move, by a process of reptation, along the primitive path of the contour. Assuming that the chain entropy is Boltzmann's constant times the logarithm of the contour length distribution, we compute the tensile force constants for chain contour length extension as the change in entropy times the temperature. For a chain length typical of moderately crosslinked rubber networks (78 isoprene units), the force constants range between 0.004 and 0.033 N/m, depending on the kink size. For a cross-linked network, these force constants predict an initial tensile modulus of between 3 and 8 MPa, which is comparable to the experimental value of 1 MPa. This mechanism is also consistent with other thermodynamic phenomenology. PMID:20815590
Non-Markovian dynamics in open quantum systems
Heinz-Peter Breuer; Elsi-Mari Laine; Jyrki Piilo; Bassano Vacchini
2015-05-06
The dynamical behavior of open quantum systems plays a key role in many applications of quantum mechanics, examples ranging from fundamental problems, such as the environment-induced decay of quantum coherence and relaxation in many-body systems, to applications in condensed matter theory, quantum transport, quantum chemistry and quantum information. In close analogy to a classical Markov process, the interaction of an open quantum system with a noisy environment is often modelled by a dynamical semigroup with a generator in Lindblad form, which describes a memoryless dynamics leading to an irreversible loss of characteristic quantum features. However, in many applications open systems exhibit pronounced memory effects and a revival of genuine quantum properties such as quantum coherence and correlations. Here, recent results on the rich non-Markovian quantum dynamics of open systems are discussed, paying particular attention to the rigorous mathematical definition, to the physical interpretation and classification, as well as to the quantification of memory effects. The general theory is illustrated by a series of examples. The analysis reveals that memory effects of the open system dynamics reflect characteristic features of the environment which opens a new perspective for applications, namely to exploit a small open system as a quantum probe signifying nontrivial features of the environment it is interacting with. This article further explores the various physical sources of non-Markovian quantum dynamics, such as structured spectral densities, nonlocal correlations between environmental degrees of freedom and correlations in the initial system-environment state, in addition to developing schemes for their local detection. Recent experiments on the detection, quantification and control of non-Markovian quantum dynamics are also discussed.
Quantum And Classical Dynamics Of Atoms In A Magneto-optical Lattice
Shohini Ghose; Paul M. Alsing; Ivan H. Deutsch; Poul S. Jessen; David L. Haycock; Tanmoy Bhattacharya; Salman Habib; Kurt Jacobs
2002-10-17
The transport of ultra-cold atoms in magneto-optical potentials provides a clean setting in which to investigate the distinct predictions of classical versus quantum dynamics for a system with coupled degrees of freedom. In this system, entanglement at the quantum level and chaos at the classical level arise from the coupling between the atomic spin and its center-of- mass motion. Experiments, performed deep in the quantum regime, correspond to dynamic quantum tunneling. This nonclassical behavior is contrasted with the predictions for an initial phase space distribution produced in the experiment, but undergoing classical Hamiltonian flow. We study conditions under which the trapped atoms can be made to exhibit classical dynamics through the process of continuous measurement, which localizes the probability distribution to phase space trajectories, consistent with the uncertainty principle and quantum back-action noise. This method allows us to analytically and numerically identify the quantum-classical boundary.
Quantum dynamics of fast chemical reactions
Light, J.C.
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.
Quantum dynamics of a plane pendulum
Leibscher, Monika; Schmidt, Burkhard
2009-07-15
A semianalytical approach to the quantum dynamics of a plane pendulum is developed, based on Mathieu functions which appear as stationary wave functions. The time-dependent Schroedinger equation is solved for pendular analogs of coherent and squeezed states of a harmonic oscillator, induced by instantaneous changes of the periodic potential energy function. Coherent pendular states are discussed between the harmonic limit for small displacements and the inverted pendulum limit, while squeezed pendular states are shown to interpolate between vibrational and free rotational motion. In the latter case, full and fractional revivals as well as spatiotemporal structures in the time evolution of the probability densities (quantum carpets) are quantitatively analyzed. Corresponding expressions for the mean orientation are derived in terms of Mathieu functions in time. For periodic double well potentials, different revival schemes, and different quantum carpets are found for the even and odd initial states forming the ground tunneling doublet. Time evolution of the mean alignment allows the separation of states with different parity. Implications for external (rotational) and internal (torsional) motion of molecules induced by intense laser fields are discussed.
Cheng, Yuan-Chung, Ph. D. Massachusetts Institute of Technology
2006-01-01
In this thesis, we develop analytical models for quantum systems and perform theoretical investigations on several dynamical processes in condensed phases. First, we study charge-carrier mobilities in organic molecular ...
NASA Astrophysics Data System (ADS)
Benatti, Fabio; Floreanini, Roberto; Scholes, Greg
2012-08-01
The last years have witnessed fast growing developments in the use of quantum mechanics in technology-oriented and information-related fields, especially in metrology, in the developments of nano-devices and in understanding highly efficient transport processes. The consequent theoretical and experimental outcomes are now driving new experimental tests of quantum mechanical effects with unprecedented accuracies that carry with themselves the concrete possibility of novel technological spin-offs. Indeed, the manifold advances in quantum optics, atom and ion manipulations, spintronics and nano-technologies are allowing direct experimental verifications of new ideas and their applications to a large variety of fields. All of these activities have revitalized interest in quantum mechanics and created a unique framework in which theoretical and experimental physics have become fruitfully tangled with information theory, computer, material and life sciences. This special issue aims to provide an overview of what is currently being pursued in the field and of what kind of theoretical reference frame is being developed together with the experimental and theoretical results. It consists of three sections: 1. Memory effects in quantum dynamics and quantum channels 2. Driven open quantum systems 3. Experiments concerning quantum coherence and/or decoherence The first two sections are theoretical and concerned with open quantum systems. In all of the above mentioned topics, the presence of an external environment needs to be taken into account, possibly in the presence of external controls and/or forcing, leading to driven open quantum systems. The open system paradigm has proven to be central in the analysis and understanding of many basic issues of quantum mechanics, such as the measurement problem, quantum communication and coherence, as well as for an ever growing number of applications. The theory is, however, well-settled only when the so-called Markovian or memoryless, approximation applies. When strong coupling or long environmental relaxation times make memory effects important for a realistic description of the dynamics, new strategies are asked for and the assessment of the general structure of non-Markovian dynamical equations for realistic systems is a crucial issue. The impact of quantum phenomena such as coherence and entanglement in biology has recently started to be considered as a possible source of the high efficiency of certain biological mechanisms, including e.g. light harvesting in photosynthesis and enzyme catalysis. In this effort, the relatively unknown territory of driven open quantum systems is being explored from various directions, with special attention to the creation and stability of coherent structures away from thermal equilibrium. These investigations are likely to advance our understanding of the scope and role of quantum mechanics in living systems; at the same time they provide new ideas for the developments of next generations of devices implementing highly efficient energy harvesting and conversion. The third section concerns experimental studies that are currently being pursued. Multidimensional nonlinear spectroscopy, in particular, has played an important role in enabling experimental detection of the signatures of coherence. Recent remarkable results suggest that coherence—both electronic and vibrational—survive for substantial timescales even in complex biological systems. The papers reported in this issue describe work at the forefront of this field, where researchers are seeking a detailed understanding of the experimental signatures of coherence and its implications for light-induced processes in biology and chemistry.
MONTE CARLO SIMULATION OF ELECTRON DYNAMICS IN QUANTUM CASCADE LASERS
Knezevic, Irena
MONTE CARLO SIMULATION OF ELECTRON DYNAMICS IN QUANTUM CASCADE LASERS by Xujiao Gao A dissertation-of-the-art quantum cascade lasers . . . . . . . . . . . . . . . . . . . 3 1.1.2 Theoretical approaches for QCL . . . . . . . . . . . . . . . . . . . . . . . . . 38 #12;v Page 3 X-valley Leakage in GaAs/AlGaAs Quantum Cascade Lasers . . . . . . . . . . . . 40 3
Quantum dynamics in simple fluids C. P. Lawrence
Makri, Nancy
expression for the TCF has the form G t dx0 dp0PA x0,p0 A xt,pt , 2 where PA is a complex valued function quantum-mechanical fluid of lighter atoms neon at a lower temperature. In this case different quantum of nuclear quantum-mechanical effects in the dynamics of condensed phase systems is a fundamental problem
Quantum Metrology: Dynamics versus Entanglement Sergio Boixo,1,2
Queensland, University of
Quantum Metrology: Dynamics versus Entanglement Sergio Boixo,1,2 Animesh Datta,1 Matthew J. Davis,3 measurements. Practical interest in using nonlinear interactions for quantum metrology comes from the fact that to a quantum probe of n constituents includes all two-body interactions between the constituents can
Dynamical phase transitions in quantum mechanics
NASA Astrophysics Data System (ADS)
Rotter, Ingrid
2012-02-01
The nucleus is described as an open many-body quantum system with a non-Hermitian Hamilton operator the eigenvalues of which are complex, in general. 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 varying only one parameter, the eigenvalue trajectories usually avoid crossing and width bifurcation occurs at the critical value of avoided crossing. An analog spectroscopic redistribution takes place for discrete states below the particle decay threshold. By this means, a dynamical phase transition occurs in the many-level system starting at a critical value of the level density. Hence the properties of the 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 on the collective features of compound nucleus states at high level density is therefore 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 quantum mechanical systems by varying one or two parameters.
Modeling quantum fluid dynamics at nonzero temperatures
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
Quantum mechanics emerging from stochastic dynamics of virtual particles
Tsekov, R
2015-01-01
It is demonstrated how quantum mechanics emerges from the stochastic dynamics of force-carriers. It is shown that the quantum Moyal equation corresponds to some dynamic correlations between the momentum of a real particle and the position of a virtual particle, which are not present in classical mechanics. The new concept throws light on the physical meaning of quantum theory, showing that the Planck constant square is a second-second cross-cumulant. The novel approach to quantum systems is extended to the relativistic case and an expression is derived for the relativistic mass in the Wigner quantum phase-space.
Quantum mechanics emerging from stochastic dynamics of virtual particles
R. Tsekov
2015-10-20
It is demonstrated how quantum mechanics emerges from the stochastic dynamics of force-carriers. It is shown that the quantum Moyal equation corresponds to some dynamic correlations between the momentum of a real particle and the position of a virtual particle, which are not present in classical mechanics. The new concept throws light on the physical meaning of quantum theory, showing that the Planck constant square is a second-second cross-cumulant. The novel approach to quantum systems is extended to the relativistic case and an expression is derived for the relativistic mass in the Wigner quantum phase-space.
Dynamic Distance Measures on Spaces of Isospectral Mixed Quantum States
Ole Andersson; Hoshang Heydari
2013-06-11
Distance measures are indispensable tools in quantum information processing and quantum computing. This since they can be used to quantify to what extent information is preserved, or altered, by quantum processes. In this paper we propose a new distance measure for mixed quantum states, that we call the dynamic distance measure, and show that it is a proper distance measure. The dynamic distance measure is defined in terms of a measurable quantity, which make it very suitable for applications. In a final section we compare the dynamical distance measure with the well-known Bures distance.
A Time-Dependent Quantum Dynamics Study of the H2 + CH3 yields H + CH4 Reaction
NASA Technical Reports Server (NTRS)
Wang, Dunyou; Kwak, Dochan (Technical Monitor)
2002-01-01
We present a time-dependent wave-packet propagation calculation for the H2 + CH3 yields H + CH4 reaction in six degrees of freedom and for zero total angular momentum. Initial state selected reaction probability for different initial rotational-vibrational states are presented in this study. The cumulative reaction probability (CRP) is obtained by summing over initial-state-selected reaction probability. The energy-shift approximation to account for the contribution of degrees of freedom missing in the 6D calculation is employed to obtain an approximate full-dimensional CRP. Thermal rate constant is compared with different experiment results.
Dynamics of open bosonic quantum systems in coherent state representation
Dalvit, D. A. R.; Berman, G. P.; Vishik, M.
2006-01-15
We consider the problem of decoherence and relaxation of open bosonic quantum systems from a perspective alternative to the standard master equation or quantum trajectories approaches. Our method is based on the dynamics of expectation values of observables evaluated in a coherent state representation. We examine a model of a quantum nonlinear oscillator with a density-density interaction with a collection of environmental oscillators at finite temperature. We derive the exact solution for dynamics of observables and demonstrate a consistent perturbation approach.
Exponential rise of dynamical complexity in quantum computing through projections.
Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya
2014-01-01
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. PMID:25300692
Exponential rise of dynamical complexity in quantum computing through projections
Burgarth, Daniel Klaus; Facchi, Paolo; Giovannetti, Vittorio; Nakazato, Hiromichi; Pascazio, Saverio; Yuasa, Kazuya
2014-01-01
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. PMID:25300692
De Sitter Space Without Dynamical Quantum Fluctuations
Kimberly K. Boddy; Sean M. Carroll; Jason Pollack
2015-05-21
We argue that, under certain plausible assumptions, de Sitter space settles into a quiescent vacuum in which there are no dynamical quantum fluctuations. Such fluctuations require either an evolving microstate, or time-dependent histories of out-of-equilibrium recording devices, which we argue are absent in stationary states. For a massive scalar field in a fixed de Sitter background, the cosmic no-hair theorem implies that the state of the patch approaches the vacuum, where there are no fluctuations. We argue that an analogous conclusion holds whenever a patch of de Sitter is embedded in a larger theory with an infinite-dimensional Hilbert space, including semiclassical quantum gravity with false vacua or complementarity in theories with at least one Minkowski vacuum. This reasoning provides an escape from the Boltzmann brain problem in such theories. It also implies that vacuum states do not uptunnel to higher-energy vacua and that perturbations do not decohere while slow-roll inflation occurs, suggesting that eternal inflation is much less common than often supposed. On the other hand, if a de Sitter patch is a closed system with a finite-dimensional Hilbert space, there will be Poincare recurrences and dynamical Boltzmann fluctuations into lower-entropy states. Our analysis does not alter the conventional understanding of the origin of density fluctuations from primordial inflation, since reheating naturally generates a high-entropy environment and leads to decoherence, nor does it affect the existence of non-dynamical vacuum fluctuations such as those that give rise to the Casimir effect.
Loop quantum cosmology of Bianchi IX: Effective dynamics
Alejandro Corichi; Edison Montoya
2015-02-09
We study numerically the solutions to the effective equations of Bianchi IX spacetimes within Loop Quantum Cosmology. We consider Bianchi IX models with and without inverse triad corrections whose matter content is a scalar field without mass. The solutions are classified using the classical observables. We show that both effective theories --with lapse N=V and N=1-- solve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the spatial compactness, there is an infinity number of bounces and recollapses. We study the limit of large volume 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, at the quantum nor effective level. We comment on the possible implications of these results for a quantum modification to the classical BKL behaviour.
Geometric reduction of dynamical nonlocality in nanoscale quantum circuits.
Strambini, E; Makarenko, K S; Abulizi, G; de Jong, M P; van der Wiel, W G
2016-01-01
Nonlocality is a key feature discriminating quantum and classical physics. Quantum-interference phenomena, such as Young's double slit experiment, are one of the clearest manifestations of nonlocality, recently addressed as dynamical to specify its origin in the quantum equations of motion. It is well known that loss of dynamical nonlocality can occur due to (partial) collapse of the wavefunction due to a measurement, such as which-path detection. However, alternative mechanisms affecting dynamical nonlocality have hardly been considered, although of crucial importance in many schemes for quantum information processing. Here, we present a fundamentally different pathway of losing dynamical nonlocality, demonstrating that the detailed geometry of the detection scheme is crucial to preserve nonlocality. By means of a solid-state quantum-interference experiment we quantify this effect in a diffusive system. We show that interference is not only affected by decoherence, but also by a loss of dynamical nonlocality based on a local reduction of the number of quantum conduction channels of the interferometer. With our measurements and theoretical model we demonstrate that this mechanism is an intrinsic property of quantum dynamics. Understanding the geometrical constraints protecting nonlocality is crucial when designing quantum networks for quantum information processing. PMID:26732751
Rong-Chun Ge; Stephen Hughes
2015-11-17
We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect of the metal nanorod is taken into consideration self-consistently using a quasinormal mode (QNM) expansion technique of the photon Green function. Our efficient QNM technique offers an alternative and more powerful approach over the standard Jaynes-Cummings model, where the radiative decay, nonradiative decay, and spectral reshaping effect of the electromagnetic environment is rigorously included in a clear and transparent way. We also show how one can use our approach to compliment the approximate Jaynes-Cummings model in certain spatial regimes where it is deemed to be valid. We then present a study of the quantum dynamics and photoluminescence spectra of the two plasmon-coupled QDs. We first explore the non-Markovian regime, which is found to be important only on the ultrashort time scale of the plasmon mode which is about 40$\\,$fs. For the field free evolution case of excited QDs near the nanorod, we demonstrate how spatially separated QDs can be effectively coupled through the plasmon resonance and we show how frequencies away from the plasmon resonance can be more effective for coherently coupling the QDs. Despite the strong inherent dissipation of gold nanoresonators, we show that qubit entanglements as large as 0.7 can be achieved from an initially separate state, which has been limited to less than 0.5 in previous work for weakly coupled reservoirs. We also study the superradiance and subradiance decay dynamics of the QD pair. Finally, we investigate the rich quantum dynamics of QDs that are incoherently pumped, ...
NASA Astrophysics Data System (ADS)
Kim, Jungho
2012-12-01
We theoretically investigate the effect of multichannel pump injection on the ultrafast gain and phase recovery dynamics of quantum-dot (QD) semiconductor optical amplifiers (SOAs) by solving 10880 coupled rate equations. The ultrafast gain and phase recovery responses induced by three-channel pump injection are calculated compared with the single-channel pump injection. The gain and phase recovery response caused by three-channel pump injection is different from the summation of the three gain and phase recovery responses induced by separate single-channel pump injection. We identify the physical mechanism of the distinct gain and phase recovery responses due to different pump wavelength by considering the interplay between the Lorentzian line shape function and the spectral spacing between the pump and probe beams. The calculation results help to understand the gain and phase recovery dynamics of QD SOAs for multichannel amplification in coarse wavelength division multiplexing (CWDM) applications.
Hele, Timothy J. H.; Willatt, Michael J.; Muolo, Andrea; Althorpe, Stuart C.
2015-05-21
We recently obtained a quantum-Boltzmann-conserving classical dynamics by making a single change to the derivation of the “Classical Wigner” approximation. Here, we show that the further approximation of this “Matsubara dynamics” gives rise to two popular heuristic methods for treating quantum Boltzmann time-correlation functions: centroid molecular dynamics (CMD) and ring-polymer molecular dynamics (RPMD). We show that CMD is a mean-field approximation to Matsubara dynamics, obtained by discarding (classical) fluctuations around the centroid, and that RPMD is the result of discarding a term in the Matsubara Liouvillian which shifts the frequencies of these fluctuations. These findings are consistent with previous numerical results and give explicit formulae for the terms that CMD and RPMD leave out.
Dynamical regimes in a monolithic passively mode-locked quantum dot laser
Vladimirov, Andrei G.
Dynamical regimes in a monolithic passively mode-locked quantum dot laser Andrei G. Vladimirov,1 monolithic quantum dot (QD) mode-locked laser are studied experimentally with InGaAs lasers and theoretically applica- tions ranging from high speed communication to medical diagnostics. In particular, monolithic
Arrow of time in generalized quantum theory and its classical limit dynamics
V. V. Asadov; O. V. Kechkin
2006-08-21
In this paper we have studied a generalized quantum theory and its consistent classical limit, which possess a well-defined arrow of time in their dynamics. The original quantum theory is defined as analytically dependent on complex time and specified by non-Hermitian Hamiltonian structure.
Quantum Phase Transition and Universal Dynamics in the Rabi model
Myung-Joong Hwang; Ricardo Puebla; Martin B. Plenio
2015-10-29
We consider the Rabi Hamiltonian which exhibits a quantum phase transition (QPT) despite consisting only of a single-mode cavity field and a two-level atom. We prove QPT by deriving an exact solution in the limit where the atomic transition frequency in unit of the cavity frequency tends to infinity. The effect of a finite transition frequency is studied by analytically calculating finite-frequency scaling exponents as well as performing a numerically exact diagonalization. Going beyond this equilibrium QPT setting, we prove that the dynamics under slow quenches in the vicinity of the critical point is universal, that is, the dynamics is completely characterized by critical exponents. Our analysis demonstrates that the Kibble-Zurek mechanism can precisely predict the universal scaling of residual energy for a model without spatial degrees of freedom. Moreover, we find that the onset of the universal dynamics can be observed even with a finite transition frequency.
Quantum Phase Transition and Universal Dynamics in the Rabi Model.
Hwang, Myung-Joong; Puebla, Ricardo; Plenio, Martin B
2015-10-30
We consider the Rabi Hamiltonian, which exhibits a quantum phase transition (QPT) despite consisting only of a single-mode cavity field and a two-level atom. We prove QPT by deriving an exact solution in the limit where the atomic transition frequency in the unit of the cavity frequency tends to infinity. The effect of a finite transition frequency is studied by analytically calculating finite-frequency scaling exponents as well as performing a numerically exact diagonalization. Going beyond this equilibrium QPT setting, we prove that the dynamics under slow quenches in the vicinity of the critical point is universal; that is, the dynamics is completely characterized by critical exponents. Our analysis demonstrates that the Kibble-Zurek mechanism can precisely predict the universal scaling of residual energy for a model without spatial degrees of freedom. Moreover, we find that the onset of the universal dynamics can be observed even with a finite transition frequency. PMID:26565443
Geometry and Dynamics of Quantum State Diffusion
Nikola Buric
2007-04-11
Riemannian metric on real 2n-dimensional space associated with the equation governing complex diffusion of pure states of an open quantum system is introduced and studied. Examples of a qubit under the influence of dephasing and thermal environments are used to show that the curvature of the diffusion metric is a good indicator of the properties of the environment dominated evolution and its stability.
Dynamics of fractionalization in quantum spin liquids
NASA Astrophysics Data System (ADS)
Knolle, J.; Kovrizhin, D. L.; Chalker, J. T.; Moessner, R.
2015-09-01
We present the theory of dynamical spin response for the Kitaev honeycomb model, obtaining exact results for the structure factor (SF) in gapped and gapless, Abelian and non-Abelian quantum spin-liquid (QSL) phases. We also describe the advances in methodology necessary to compute these results. The structure factor shows signatures of spin fractionalization into emergent quasiparticles: Majorana fermions and fluxes of Z2 gauge field. In addition to a broad continuum from spin fractionalization, we find sharp (? -function) features in the response. These arise in two distinct ways: from excited states containing only (static) fluxes and no (mobile) fermions, and from excited states in which fermions are bound to fluxes. The SF is markedly different in Abelian and non-Abelian QSLs, and bound fermion-flux composites appear only in the non-Abelian phase.
Randomized Dynamical Decoupling Techniques for Coherent Quantum Control
Lorenza Viola; Lea F. Santos
2006-10-13
The need for strategies able to accurately manipulate quantum dynamics is ubiquitous in quantum control and quantum information processing. We investigate two scenarios where randomized dynamical decoupling techniques become more advantageous with respect to standard deterministic methods in switching off unwanted dynamical evolution in a closed quantum system: when dealing with decoupling cycles which involve a large number of control actions and/or when seeking long-time quantum information storage. Highly effective hybrid decoupling schemes, which combine deterministic and stochastic features are discussed, as well as the benefits of sequentially implementing a concatenated method, applied at short times, followed by a hybrid protocol, employed at longer times. A quantum register consisting of a chain of spin-1/2 particles interacting via the Heisenberg interaction is used as a model for the analysis throughout.
Randomized Dynamical Decoupling Techniques for Coherent Quantum Control
Viola, L; Viola, Lorenza; Santos, Lea F.
2006-01-01
The need for strategies able to accurately manipulate quantum dynamics is ubiquitous in quantum control and quantum information processing. We investigate two scenarios where randomized dynamical decoupling techniques become more advantageous with respect to standard deterministic methods in switching off unwanted dynamical evolution in a closed quantum system: when dealing with decoupling cycles which involve a large number of control actions and/or when seeking long-time quantum information storage. Highly effective hybrid decoupling schemes, which combine deterministic and stochastic features are discussed, as well as the benefits of sequentially implementing a concatenated method, applied at short times, followed by a hybrid protocol, employed at longer times. A quantum register consisting of a chain of spin-1/2 particles interacting via the Heisenberg interaction is used as a model for the analysis throughout.
Moyal Quantum Mechanics: The Semiclassical Heisenberg Dynamics
NASA Astrophysics Data System (ADS)
Osborn, T. A.; Molzahn, F. H.
1995-07-01
The Moyal description of quantum mechanics, based on the Wigner-Weyl isomorphism between operators and symbols, provides a comprehensive phase space representation of dynamics. The Weyl symbol image of the Heisenberg picture evolution operator is regular in ? and so presents a preferred foundation for semiclassical analysis. Its semiclassical expansion "coefficients," acting on symbols that represent observables, are simple, globally defined (phase space) differential operators constructed in terms of the classical flow. The first of two presented methods introduces a cluster-graph expansion for the symbol of an exponentiated operator, which extends Groenewold's formula for the Weyl product of two symbols and has ? as its natural small parameter. This Poisson bracket based cluster expansion determines the Jacobi equations for the semiclassical expansion of "quantum trajectories." Their Green function solutions construct the regular ? ? 0 asymptotic series for the Heisenberg-Weyl evolution map. The second method directly substitutes such a series into the Moyal equation of motion and determines the ? coefficients recursively. In contrast to the WKB approximation for propagators, the Heisenberg-Weyl description of evolution involves no essential singularity in ?, no Hamilton-Jacobi equation to solve for the action, and no multiple trajectories, caustics, or Maslov indices.
Moyal Quantum Mechanics: The Semiclassical Heisenberg Dynamics
T. A. Osborn; F. H. Molzahn
1994-09-21
The Moyal--Weyl description of quantum mechanics provides a comprehensive phase space representation of dynamics. The Weyl symbol image of the Heisenberg picture evolution operator is regular in $\\hbar$. Its semiclassical expansion `coefficients,' acting on symbols that represent observables, are simple, globally defined differential operators constructed in terms of the classical flow. Two methods of constructing this expansion are discussed. The first introduces a cluster-graph expansion for the symbol of an exponentiated operator, which extends Groenewold's formula for the Weyl product of symbols. This Poisson bracket based cluster expansion determines the Jacobi equations for the semiclassical expansion of `quantum trajectories.' Their Green function solutions construct the regular $\\hbar\\downarrow0$ asymptotic series for the Heisenberg--Weyl evolution map. The second method directly substitutes such a series into the Moyal equation of motion and determines the $\\hbar$ coefficients recursively. The Heisenberg--Weyl description of evolution involves no essential singularity in $\\hbar$, no Hamilton--Jacobi equation to solve for the action, and no multiple trajectories, caustics or Maslov indices.
An Integrated Hierarchical Dynamic Quantum Secret Sharing Protocol
NASA Astrophysics Data System (ADS)
Mishra, Sandeep; Shukla, Chitra; Pathak, Anirban; Srikanth, R.; Venugopalan, Anu
2015-09-01
Generalizing the notion of dynamic quantum secret sharing (DQSS), a simplified protocol for hierarchical dynamic quantum secret sharing (HDQSS) is proposed and it is shown that the protocol can be implemented using any existing protocol of quantum key distribution, quantum key agreement or secure direct quantum communication. The security of this proposed protocol against eavesdropping and collusion attacks is discussed with specific attention towards the issues related to the composability of the subprotocols that constitute the proposed protocol. The security and qubit efficiency of the proposed protocol is also compared with that of other existing protocols of DQSS. Further, it is shown that it is possible to design a semi-quantum protocol of HDQSS and in principle, the protocols of HDQSS can be implemented using any quantum state. It is also noted that the completely orthogonal-state-based realization of HDQSS protocol is possible and that HDQSS can be experimentally realized using a large number of alternative approaches.
Quantum Computing, NP-complete Problems and Chaotic Dynamics
Masanori Ohya; Igor V. Volovich
1999-12-21
An approach to the solution of NP-complete problems based on quantum computing and chaotic dynamics is proposed. We consider the satisfiability problem and argue that the problem, in principle, can be solved in polynomial time if we combine the quantum computer with the chaotic dynamics amplifier based on the logistic map. We discuss a possible implementation of such a chaotic quantum computation by using the atomic quantum computer with quantum gates described by the Hartree-Fock equations. In this case, in principle, one can build not only standard linear quantum gates but also nonlinear gates and moreover they obey to Fermi statistics. This new type of entaglement related with Fermi statistics can be interesting also for quantum communication theory.
Dynamic Homotopy and Landscape Dynamical Set Topology in Quantum Control
Jason Dominy; Herschel Rabitz
2012-08-13
We examine the topology of the subset of controls taking a given initial state to a given final state in quantum control, where "state" may mean a pure state |\\psi>, an ensemble density matrix \\rho, or a unitary propagator U(0,T). The analysis consists in showing that the endpoint map acting on control space is a Hurewicz fibration for a large class of affine control systems with vector controls. Exploiting the resulting fibration sequence and the long exact sequence of basepoint-preserving homotopy classes of maps, we show that the indicated subset of controls is homotopy equivalent to the loopspace of the state manifold. This not only allows us to understand the connectedness of "dynamical sets" realized as preimages of subsets of the state space through this endpoint map, but also provides a wealth of additional topological information about such subsets of control space.
Dynamics in the quantum/classical limit based on selective use of the quantum potential
Garashchuk, Sophya Dell’Angelo, David; Rassolov, Vitaly A.
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.
New Surface Hopping Methods in Quantum Dynamics
NASA Astrophysics Data System (ADS)
Qi, Peng
In molecular dynamics, the Born-Oppenheimer approximation yields a system of Schrodinger equations to characterize the evolution of the wave functions that can describe quantum transitions-referred as surface hopping-between different electronic potential energy surfaces. In this work, we develop three numerical methods for solving the so-called surface hopping problem. The first one is an Eulerian surface hopping method for the system of Schrodinger equations with conical crossing potentials. It is based on the semi-classical approximation governed by the Liouville equations, which are valid away from the conical crossing manifold. At the crossing manifold, electrons hop to another energy level with the probability determined by the Landau-Zener formula. This is formulated as a hopping condition for flux, which is then built into the numerical flux for solving the underlying Liouville equation for each energy level. The advantage of an Eulerian method is that it relies on a fixed number of partial differential equations with a uniform in time computational accuracy. The second one is a new method to compute the transition rate between the energy surfaces, which can be used for solving the system of Schrodinger equations with thin barriers. This method generalizes the first method, which relies on the Landau-Zener formula to obtain the transition coefficients. The third one is a hybrid method coupling a Schrodinger solver and a Gaussian beam method for the numerical simulation of quantum tunneling through surface hopping across electronic potential energy surfaces. The idea is to use a Schrodinger solver near potential barriers or zones where potential energy surfaces cross, and a Gaussian beam method-which is much more efficient than a direct Schrodinger solver-elsewhere. Numerical examples show that this method indeed captures quantum tunneling and surface hopping accurately, with a computational cost much lower than a direct quantum solver in the entire domain. In Chapter 5, the derivation of the Landau-Zener formula for a two-colliding-atom system is discussed in details. The use of the Wigner transform provides a clearer explanation of the limiting process. An interesting third order ODE system is solved numerically and analytically. A numerical way to generalize the Landau-Zener formula to include the interference phenomena is also explained with numerical examples.
Fundamental significance of tests that quantum dynamics is linear
Jordan, Thomas F.
2010-09-15
Experiments that look for nonlinear quantum dynamics test the fundamental premise of physics that one of two separate systems can influence the physical behavior of the other only if there is a force between them, an interaction that involves momentum and energy. The premise is tested because it is the assumption of a proof that quantum dynamics must be linear. Here, variations of a familiar example are used to show how results of nonlinear dynamics in one system can depend on correlations with the other. Effects of one system on the other, influence without interaction between separate systems, not previously considered possible, would be expected with nonlinear quantum dynamics. Whether it is possible or not is subject to experimental tests together with the linearity of quantum dynamics. Concluding comments and questions consider directions our thinking might take in response to this surprising unprecedented situation.
Quantum tomography meets dynamical systems and bifurcations theory
Goyeneche, D.; Torre, A. C. de la
2014-06-01
A powerful tool for studying geometrical problems in Hilbert spaces is developed. We demonstrate the convergence and robustness of our method in every dimension by considering dynamical systems theory. This method provides numerical solutions to hard problems involving many coupled nonlinear equations in low and high dimensions (e.g., quantum tomography problem, existence and classification of Pauli partners, mutually unbiased bases, complex Hadamard matrices, equiangular tight frames, etc.). Additionally, this tool can be used to find analytical solutions and also to implicitly prove the existence of solutions. Here, we develop the theory for the quantum pure state tomography problem in finite dimensions but this approach is straightforwardly extended to the rest of the problems. We prove that solutions are always attractive fixed points of a nonlinear operator explicitly given. As an application, we show that the statistics collected from three random orthonormal bases is enough to reconstruct pure states from experimental (noisy) data in every dimension d ? 32.
Genetic simulation of quantum dynamics by the principle of quantum state selection
Yuri Ozhigov
2008-01-24
The simple genetic algorithm is proposed for the simulation of quantum many body dynamics. It uses the selection of entangled quantum states and has the inbuilt absolute decoherence that comes from the limitation of classical memory. It utilizes the "pre-quantum field" in the form of interacting between the different "quantum worlds". It is shown how this selection model can be applied to the problem of molecular association in chemical reactions.
Correlation functions and conditioned quantum dynamics in photodetection theory
Qing Xu; Eliska Greplova; Brian Julsgaard; Klaus Mølmer
2015-06-29
Correlations in photodetection signals from quantum light sources are conventionally calculated by application of the source master equation and the quantum regression theorem. In this article we show how the conditioned dynamics, associated with the quantum theory of measurements, allows calculations and offers interpretations of the behaviour of the same quantities. Our theory is illustrated for photon counting and field-amplitude measurements, and we show, in particular, how transient correlations between field-amplitude measurements and later photon counting events can be accounted for by a recently developed theory of past quantum states of a monitored quantum system.
Correlation functions and conditioned quantum dynamics in photodetection theory
NASA Astrophysics Data System (ADS)
Xu, Qing; Greplova, Eliska; Julsgaard, Brian; Mølmer, Klaus
2015-12-01
Correlations in photodetection signals from quantum light sources are conventionally calculated by application of the source master equation and the quantum regression theorem. In this article we show how the conditioned dynamics, associated with the quantum theory of measurements, allows calculations and offers interpretations of the behavior of the same quantities. Our theory is illustrated for photon counting and field-amplitude measurements, and we show, in particular, how transient correlations between field-amplitude measurements and later photon counting events can be accounted for by a recently developed theory of past quantum states of a monitored quantum system.
NASA Astrophysics Data System (ADS)
Keshavamurthy, S.
2009-03-01
Recently, there has been a renaissance of sorts in chemical dynamics with researchers critically examining the validity of the two pillars of reaction rate theory - transition state theory and the Rice-Ramsperger-Kassel-Marcus (RRKM) theory. Since both theories have classical dynamics at their foundation, advances in our understanding of nonlinear dynamics and continuing efforts to characterize the phase space structure of systems with three or more degrees of freedom are beginning to yield crucial mechanistic insights into the dynamics. This talk focuses on a mechanistic understanding of the deviations from RRKM theory for a model isomerization problem with three degrees of freedom. Several studies have established that such systems are prime candidates for observing non-RRKM behaviorootnotetextD. M. Leitner, Int. J. Quant. Chem. 75, 523 (1999).. The model is inspired, and generalized, from a much earlier study by De Leon and BerneootnotetextN. De Leon and B. J. Berne, J. Chem. Phys. 75, 3495 (1981).. We try to answer two of the questions posed in this early work by studying the intramolecular vibrational energy flow in the system from both classical and quantum viewpoints. Using a wavelet-based local frequency analysis it is possible to construct a useful representation of the classical phase space (Arnol'd web) highlighting the important dynamical structures. Insights into the dynamics originate from the various nonlinear resonances and phase space traps which potentially result in quantum eigenstates of varying degree of localizationootnotetextD. M. Leitner and M. Gruebele, Mol. Phys. 106, 433 (2008)..
Probing quantum many-body dynamics in nuclear systems
C. Simenel; M. Dasgupta; D. J. Hinde; A. Kheifets; A. Wakhle
2013-08-31
Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF) theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also described for light and heavy systems. The latter exhibit fusion hindrance due to quasi-fission. Typical characteristics of quasi-fission, such as contact time and partial symmetrisation of the fragments mass in the exit channel, are reproduced by TDHF calculations. The (multi-)nucleon transfer at sub-barrier energies is also discussed.
Quantum molecular dynamic simulations of warm dense carbon monoxide.
Zhang, Yujuan; Wang, Cong; Li, Dafang; Zhang, Ping
2011-08-14
Using quantum molecular dynamic simulations, we have studied the thermophysical properties of warm dense carbon monoxide under extreme conditions. The principal Hugoniot pressure up to 286 GPa, which is derived from the equation of state, is calculated and compared with available experimental and theoretical data. The chemical decomposition of carbon monoxide has been predicted at 8 GPa by means of pair correlation function and the charge density distribution. Based on Kubo-Greenwood formula, the dc electrical conductivity and the optical reflectivity are determined, and the nonmetal-metal transition for shock compressed carbon monoxide is observed around 40 GPa. PMID:21842937
Noninertial effects on the quantum dynamics of scalar bosons
Castro, Luis B
2015-01-01
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 details. Additionally, the effect of rotating frames on the scalar bosons localization is studied.
Confined quantum Zeno dynamics of a watched atomic arrow
NASA Astrophysics Data System (ADS)
Signoles, Adrien; Facon, Adrien; Grosso, Dorian; Dotsenko, Igor; Haroche, Serge; Raimond, Jean-Michel; Brune, Michel; Gleyzes, Sébastien
2014-10-01
In a quantum world, a watched arrow never moves. This is the quantum Zeno effect. Repeatedly asking a quantum system `are you still in your initial state?' blocks its coherent evolution through measurement back-action. Quantum Zeno dynamics (QZD; refs , ) gives more freedom to the system. Instead of pinning it to a single state, it sets a border in its evolution space. Repeatedly asking the system `are you beyond the border?' makes this limit impenetrable. As the border can be designed by choosing the measured observable, QZD allows one to dynamically tailor the system's Hilbert space. Recent proposals, particularly in the cavity quantum electrodynamics context, highlight the interest of QZD for quantum state engineering tasks, which are the key to quantum-enabled technologies and quantum information processing. We report the observation of QZD in the 51-dimensional Hilbert space of a large angular momentum J = 25. Continuous selective interrogation limits the evolution of this angular momentum to an adjustable multi-dimensional subspace. This confined dynamics leads to the production of non-classical `Schrödinger cat' states, quantum superpositions of angular momenta pointing in different directions. These states are promising for sensitive metrology of electric and magnetic fields. This QZD approach could also be generalized to cavity and circuit quantum electrodynamics experiments by replacing the angular momentum with a photonic harmonic oscillator.
Dynamical symmetries for superintegrable quantum systems
Calzada, J. A. Negro, J. Olmo, M. A. del
2007-03-15
We study the dynamical symmetries of a class of two-dimensional superintegrable systems on a 2-sphere, obtained by a procedure based on the Marsden-Weinstein reduction, by considering its shape-invariant intertwining operators. These are obtained by generalizing the techniques of factorization of one-dimensional systems. We firstly obtain a pair of noncommuting Lie algebras su(2) that originate the algebra so(4). By considering three spherical coordinate systems, we get the algebra u(3) that can be enlarged by 'reflexions' to so(6). The bounded eigenstates of the Hamiltonian hierarchies are associated to the irreducible unitary representations of these dynamical algebras.
NASA Astrophysics Data System (ADS)
Ge, Rong-Chun; Hughes, Stephen
2015-11-01
We study the quantum dynamics of two quantum dots (QDs) or artificial atoms coupled through the fundamental localized plasmon of a gold nanorod resonator. We derive an intuitive and efficient time-local master equation, in which the effect of the metal nanorod is taken into consideration self-consistently using a quasinormal mode (QNM) expansion technique of the photon Green function. Our efficient QNM technique offers an alternative and more powerful approach over the standard Jaynes-Cummings model, where the radiative decay, nonradiative decay, and spectral reshaping effect of the electromagnetic environment is rigorously included in a clear and transparent way. We also show how one can use our approach to compliment the approximate Jaynes-Cummings model in certain spatial regimes where it is deemed to be valid. We then present a study of the quantum dynamics and photoluminescence spectra of the two plasmon-coupled QDs. We first explore the non-Markovian regime, which is found to be important only on the ultrashort time scale of the plasmon mode which is about 40 fs. For the field free evolution case of excited QDs near the nanorod, we demonstrate how spatially separated QDs can be effectively coupled through the plasmon resonance and we show how frequencies away from the plasmon resonance can be more effective for coherently coupling the QDs. Despite the strong inherent dissipation of gold nanoresonators, we show that qubit entanglements as large as 0.7 can be achieved from an initially separate state, which has been limited to less than 0.5 in previous work for weakly coupled reservoirs. We also study the superradiance and subradiance decay dynamics of the QD pair. Finally, we investigate the rich quantum dynamics of QDs that are incoherently pumped, and study the polarization dependent behavior of the emitted photoluminescence spectrum where a double-resonance structure is observed due to the strong photon exchange interactions. Our general quantum plasmonics formalism can easily be extended to include multiple QDs interacting through the QNMs of metallic resonator structures, fully accounting for radiative and nonradiative coupling, as well as nonlinear light-matter interaction processes.
Relative Unitary Implementability of Perturbed Quantum Field Dynamics on de-Sitter Space
Gary Poon
2009-06-09
In this article, we study the quantum dynamics of a Klein-Gordon field on de-Sitter space. We prove time evolution is not unitarily implementable. We also consider a Klein-Gordon field perturbed by a local potential V. In this case we prove that the deviation from the V=0 dynamics is unitarily implementable.
Loop quantum cosmology of Bianchi IX: Effective dynamics
Corichi, Alejandro
2015-01-01
We study numerically the solutions to the effective equations of Bianchi IX spacetimes within Loop Quantum Cosmology. We consider Bianchi IX models with and without inverse triad corrections whose matter content is a scalar field without mass. The solutions are classified using the classical observables. We show that both effective theories --with lapse N=V and N=1-- solve the big bang singularity and reproduce the classical dynamics far from the bounce. Moreover, due to the spatial compactness, there is an infinity number of bounces and recollapses. We study the limit of large volume 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, at the quantum nor effective level. W...
High Energy Resummation in Quantum Chromo–Dynamics
Marzani, Simone
2008-01-01
In this thesis I discuss different aspects of high energy resummation in Quantum Chromo-Dynamics and its relevance for precision physics at hadron colliders. The high energy factorisation theorem is presented and discussed ...
A non-dynamical approach for quantum gravity
Mandrin, Pierre A
2015-01-01
This article examines how a quantum gravity concept can be elaborated without assuming any microscopic dynamics. This means that the laws of physics must be derived without assuming any Lagrangian or Hamiltonian to exist on the quantum level. At this level of reasoning, hardly any model-specific assumption should be admitted. Surprisingly, it is possible to recover general relativity and quantum field theory for 3+1 dimensions.
Quantum Dynamics without the Wave Function Rafael D. Sorkin
Sorkin, Rafael Dolnick
version 19 Quantum Dynamics without the Wave Function Rafael D. Sorkin Perimeter Institute, 31, more in the tradition of "quantum logic", would accommodate the contradictions by dualizing to a space of "co-events" and effectively identifying reality with an element of this dual space. Reading
Quantum Dynamics without the Wave Function # Rafael D. Sorkin
Sorkin, Rafael Dolnick
version 19 Quantum Dynamics without the Wave Function # Rafael D. Sorkin Perimeter Institute, 31, more in the tradition of ``quantum logic'', would accommodate the contradictions by dualizing# to a space of ``coÂevents'' and e#ectively identifying reality with an element of this dual space. Reading
Irrational Dynamical Variables and the Measurement Problem in Quantum Mechanics
Christopher Engelhardt
2015-07-08
The quantum mechanical measurement process is considered. A hypothetical concept of irrational dynamical variables is proposed. A possible definition of measurement is discussed along with a mathematical method to calculate experimental result probabilities. The postulates of quantum mechanics are analyzed and modified. Thought experiments and implications are considered.
Loop quantum dynamics of the Schwarzschild interior
Boehmer, Christian G.; Vandersloot, Kevin
2007-11-15
We examine the Schwarzschild interior of a black hole, incorporating quantum gravitational modifications due to loop quantum gravity. We consider an improved loop quantization using techniques that have proven successful in loop quantum cosmology. The central Schwarzschild singularity is resolved and the implications for the fate of an in-falling test particle in the interior region is discussed. The singularity is replaced by a Nariai type universe. We discuss the resulting conformal diagram, providing a clear geometrical interpretation of the quantum effects.
NASA Astrophysics Data System (ADS)
Srisangyingcharoen, P.; Klinkla, R.; Boonchui, S.
2015-11-01
The quantum history approach is applied to investigate the first-photon emission of a quantum dot induced by propagating surface plasmons. The dynamics of the emission is described through the partitioning dynamics of a quantum system. The extended probability distribution which correspond to the photon emission rate is directly calculated. In the case that the Markov's approximation is satisfied, the well known double decay character of the first-photon emission is obtained accompanying with the analytic expression of decay amplitudes which has never been derived before. This is a merit of our approach which allows us to analytically investigate this interacting quantum system and goes beyond the master equation approach.
Editorial: Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems
NASA Astrophysics Data System (ADS)
Cazalilla, M. A.; Rigol, M.
2010-05-01
The dynamics and thermalization of classical systems have been extensively studied in the past. However, the corresponding quantum phenomena remain, to a large extent, uncharted territory. Recent experiments with ultracold quantum gases have at last allowed exploration of the coherent dynamics of isolated quantum systems, as well as observation of non-equilibrium phenomena that challenge our current understanding of the dynamics of quantum many-body systems. These experiments have also posed many new questions. How can we control the dynamics to engineer new states of matter? Given that quantum dynamics is unitary, under which conditions can we expect observables of the system to reach equilibrium values that can be predicted by conventional statistical mechanics? And, how do the observables dynamically approach their statistical equilibrium values? Could the approach to equilibrium be hampered if the system is trapped in long-lived metastable states characterized, for example, by a certain distribution of topological defects? How does the dynamics depend on the way the system is perturbed, such as changing, as a function of time and at a given rate, a parameter across a quantum critical point? What if, conversely, after relaxing to a steady state, the observables cannot be described by the standard equilibrium ensembles of statistical mechanics? How would they depend on the initial conditions in addition to the other properties of the system, such as the existence of conserved quantities? The search for answers to questions like these is fundamental to a new research field that is only beginning to be explored, and to which researchers with different backgrounds, such as nuclear, atomic, and condensed-matter physics, as well as quantum optics, can make, and are making, important contributions. This body of knowledge has an immediate application to experiments in the field of ultracold atomic gases, but can also fundamentally change the way we approach and understand many-body quantum systems. This focus issue of New Journal Physics brings together both experimentalists and theoreticians working on these problems to provide a comprehensive picture of the state of the field. Focus on Dynamics and Thermalization in Isolated Quantum Many-Body Systems Contents Spin squeezing of high-spin, spatially extended quantum fields Jay D Sau, Sabrina R Leslie, Marvin L Cohen and Dan M Stamper-Kurn Thermodynamic entropy of a many-body energy eigenstate J M Deutsch Ground states and dynamics of population-imbalanced Fermi condensates in one dimension Masaki Tezuka and Masahito Ueda Relaxation dynamics in the gapped XXZ spin-1/2 chain Jorn Mossel and Jean-Sébastien Caux Canonical thermalization Peter Reimann Minimally entangled typical thermal state algorithms E M Stoudenmire and Steven R White Manipulation of the dynamics of many-body systems via quantum control methods Julie Dinerman and Lea F Santos Multimode analysis of non-classical correlations in double-well Bose-Einstein condensates Andrew J Ferris and Matthew J Davis Thermalization in a quasi-one-dimensional ultracold bosonic gas I E Mazets and J Schmiedmayer Two simple systems with cold atoms: quantum chaos tests and non-equilibrium dynamics Cavan Stone, Yassine Ait El Aoud, Vladimir A Yurovsky and Maxim Olshanii On the speed of fluctuations around thermodynamic equilibrium Noah Linden, Sandu Popescu, Anthony J Short and Andreas Winter A quantum central limit theorem for non-equilibrium systems: exact local relaxation of correlated states M Cramer and J Eisert Quantum quench dynamics of the sine-Gordon model in some solvable limits A Iucci and M A Cazalilla Nonequilibrium quantum dynamics of atomic dark solitons A D Martin and J Ruostekoski Quantum quenches in the anisotropic spin-1?2 Heisenberg chain: different approaches to many-body dynamics far from equilibrium Peter Barmettler, Matthias Punk, Vladimir Gritsev, Eugene Demler and Ehud Altman Crossover from adiabatic to sudden interaction quenches in the Hubbard model: prethermalization and non-equilibrium dynamics Mic
Quantum tunneling and vibrational dynamics of ultra-confined water
NASA Astrophysics Data System (ADS)
Kolesnikov, Alexander I.; Anovitz, Lawrence M.; Ehlers, Georg; Mamontov, Eugene; Podlesnyak, Andrey; Prisk, Timothy R.; Seel, Andrew; Reiter, George F.
2015-03-01
Vibrational dynamics of ultra-confined water in single crystals beryl, the structure of which contains ~ 5 Å diameter channels along the c-axis was studied with inelastic (INS), quasi-elastic (QENS) and deep inelastic (DINS) neutron scattering. The results reveal significantly anisotropic dynamical behavior of confined water, and show that effective potential experienced by water perpendicular to the channels is significantly softer than along them. The observed 7 peaks in the INS spectra (at energies 0.25 to 15 meV), based on their temperature and momentum transfer dependences, are explained by transitions between the split ground states of water in beryl due to water quantum tunneling between the 6-fold equivalent positions across the channels. DINS study of beryl at T=4.3 K shows narrow, anisotropic water proton momentum distribution with corresponding kinetic energy, EK=95 meV, which is much less than was previously observed in bulk water (~150 meV). We believe that the exceptionally small EK in beryl is a result of water quantum tunneling ? delocalization in the nanometer size confinement and weak water-cage interaction. The neutron experiment at ORNL was sponsored by the Sci. User Facilities Div., BES, U.S. DOE. This research was sponsored by the Div. Chemical Sci, Geosciences, and Biosciences, BES, U.S. DOE. The STFC RAL is thanked for access to ISIS neutron facilities.
Cui, Yiqian; Shi, Junyou; Wang, Zili
2015-11-01
Quantum Neural Networks (QNN) models have attracted great attention since it innovates a new neural computing manner based on quantum entanglement. However, the existing QNN models are mainly based on the real quantum operations, and the potential of quantum entanglement is not fully exploited. In this paper, we proposes a novel quantum neuron model called Complex Quantum Neuron (CQN) that realizes a deep quantum entanglement. Also, a novel hybrid networks model Complex Rotation Quantum Dynamic Neural Networks (CRQDNN) is proposed based on Complex Quantum Neuron (CQN). CRQDNN is a three layer model with both CQN and classical neurons. An infinite impulse response (IIR) filter is embedded in the Networks model to enable the memory function to process time series inputs. The Levenberg-Marquardt (LM) algorithm is used for fast parameter learning. The networks model is developed to conduct time series predictions. Two application studies are done in this paper, including the chaotic time series prediction and electronic remaining useful life (RUL) prediction. PMID:26277609
Many-Body Quantum Spin Dynamics with Monte Carlo Trajectories on a Discrete Phase Space
Johannes Schachenmayer; Alexander Pikovski; Ana Maria Rey
2015-02-25
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.
Many-Body Quantum Spin Dynamics with Monte Carlo Trajectories on a Discrete Phase Space
NASA Astrophysics Data System (ADS)
Schachenmayer, J.; Pikovski, A.; Rey, A. M.
2015-01-01
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.
Dynamical Yang-Baxter Equation and Quantum Vector Bundles
NASA Astrophysics Data System (ADS)
Donin, J.; Mudrov, A.
2005-03-01
We develop a categorical approach to the dynamical Yang-Baxter equation (DYBE) for arbitrary Hopf algebras. In particular, we introduce the notion of a dynamical extension of a monoidal category, which provides a natural environment for quantum dynamical R-matrices, dynamical twists, etc. In this context, we define dynamical associative algebras and show that such algebras give quantizations of vector bundles on coadjoint orbits. We build a dynamical twist for any pair of a reductive Lie algebra and its Levi subalgebra. Using this twist, we obtain an equivariant star product quantization of vector bundles on semisimple coadjoint orbits of reductive Lie groups.
Quantum and classical dynamics in adiabatic computation
NASA Astrophysics Data System (ADS)
Crowley, P. J. D.; Ä?uri?, T.; Vinci, W.; Warburton, P. A.; Green, A. G.
2014-10-01
Adiabatic transport provides a powerful way to manipulate quantum states. By preparing a system in a readily initialized state and then slowly changing its Hamiltonian, one may achieve quantum states that would otherwise be inaccessible. Moreover, a judicious choice of final Hamiltonian whose ground state encodes the solution to a problem allows adiabatic transport to be used for universal quantum computation. However, the dephasing effects of the environment limit the quantum correlations that an open system can support and degrade the power of such adiabatic computation. We quantify this effect by allowing the system to evolve over a restricted set of quantum states, providing a link between physically inspired classical optimization algorithms and quantum adiabatic optimization. This perspective allows us to develop benchmarks to bound the quantum correlations harnessed by an adiabatic computation. We apply these to the D-Wave Vesuvius machine with revealing—though inconclusive—results.
Thermal dynamic modeling study
NASA Technical Reports Server (NTRS)
Ojalvo, I. U.
1972-01-01
Some thermal dynamic requirements associated with the space shuttle vehicle are reviewed. Pertinent scaling laws are discussed and recommendations are offered regarding the need for conducting reduced-scale dynamic tests of major components at elevated temperatures. Items considered are the development and interpretation of thermal dynamic structural scaling laws, the identification of major related problem areas and a presentation of viable model fabrication, instrumentation, and test procedures.
Time-Reversal Test for Stochastic Quantum Dynamics
NASA Astrophysics Data System (ADS)
Dowling, Mark R.; Drummond, Peter D.; Davis, Matthew J.; Deuar, Piotr
2005-04-01
The calculation of quantum dynamics is currently a central issue in theoretical physics, with diverse applications ranging from ultracold atomic Bose-Einstein condensates to condensed matter, biology, and even astrophysics. Here we demonstrate a conceptually simple method of determining the regime of validity of stochastic simulations of unitary quantum dynamics by employing a time-reversal test. We apply this test to a simulation of the evolution of a quantum anharmonic oscillator with up to 6.022×1023 (Avogadro’s number) of particles. This system is realizable as a Bose-Einstein condensate in an optical lattice, for which the time-reversal procedure could be implemented experimentally.
Dynamical behavior of interacting dark energy in loop quantum cosmology
Kui Xiao; Jian-Yang Zhu
2010-06-28
The dynamical behaviors of interacting dark energy in loop quantum cosmology are discussed in this paper. Based on defining three dimensionless variables, we simplify the equations of the fixed points. The fixed points for interacting dark energy can be determined by the Friedmann equation coupled with the dynamical equations {in Einstein cosmology}. But in loop quantum cosmology, besides the Friedmann equation, the conversation equation also give a constrain on the fixed points. The difference of stability properties for the fixed points in loop quantum cosmology and the ones in Einstein cosmology also have been discussed.
Dynamic Quantum Tomography Model for Phase-Damping Channels
Artur Czerwi?ski; Andrzej Jamio?kowski
2015-09-30
In this article we propose a dynamic quantum tomography model for open quantum systems with evolution given by phase-damping channels. Mathematically, these channels correspond to completely positive trace-preserving maps defined by the Hadamard product of the initial density matrix with a time-dependent matrix which carries the knowledge about the evolution. Physically, there is a strong motivation for considering this kind of evolution because such channels appear naturally in the theory of open quantum systems. The main idea behind a dynamic approach to quantum tomography claims that by performing the same kind of measurement at some time instants one can obtain new data for state reconstruction. Thus, this approach leads to a decrease in the number of distinct observables which are required for quantum tomography; however, the exact benefit for employing the dynamic approach depends strictly on how the quantum system evolves in time. Algebraic analysis of phase-damping channels allows one to determine optimal criteria for quantum tomography of systems in question. General theorems and observations presented in the paper are accompanied by a specific example, which shows step by step how the theory works. The results introduced in this article can potentially be applied in experiments where there is a tendency a look at quantum tomography from the point of view of economy of measurements, because each distinct kind of measurement requires, in general, preparing a separate setup.
Efficient measurement of quantum dynamics via compressive sensing
A. Shabani; R. L. Kosut; M. Mohseni; H. Rabitz; M. A. Broome; M. P. Almeida; A. Fedrizzi; A. G. White
2010-11-09
The resources required to characterise the dynamics of engineered quantum systems-such as quantum computers and quantum sensors-grow exponentially with system size. Here we adapt techniques from compressive sensing to exponentially reduce the experimental configurations required for quantum process tomography. Our method is applicable to dynamical processes that are known to be nearly-sparse in a certain basis and it can be implemented using only single-body preparations and measurements. We perform efficient, high-fidelity estimation of process matrices on an experiment attempting to implement a photonic two-qubit logic-gate. The data base is obtained under various decoherence strengths. We find that our technique is both accurate and noise robust, thus removing a key roadblock to the development and scaling of quantum technologies.
Dynamics of incompatibility of quantum measurements in open systems
Carole Addis; Teiko Heinosaari; Jukka Kiukas; Elsi-Mari Laine; Sabrina Maniscalco
2015-08-19
The non-classical nature of quantum states, often illustrated using entanglement measures or quantum discord, constitutes a resource for quantum information protocols. However, the non-classicality of a quantum system cannot be encapsulated as a property of the state alone, as the set of available measurements used to extract information on the system is typically restricted. In this work we study how the non-classicality of quantum measurements, quantified via their incompatibility, is influenced by quantum noise and, further, how a non-Markovian environment may help us in maintaining the measurement resources.
Quantum dynamics of tunneling dominated reactions at low temperatures
NASA Astrophysics Data System (ADS)
Hazra, Jisha; Balakrishnan, N.
2015-05-01
We report a quantum dynamics study of the Li + HF ? LiF + H reaction at low temperatures of interest to cooling and trapping experiments. Contributions from non-zero partial waves are analyzed and results show narrow resonances in the energy dependence of the cross section that survive partial wave summation. The computations are performed using the ABC code and a simple modification of the ABC code that enables separate energy cutoffs for the reactant and product rovibrational energy levels is found to dramatically reduce the basis set size and computational expense. Results obtained using two ab initio electronic potential energy surfaces for the LiHF system show strong sensitivity to the choice of the potential. In particular, small differences in the barrier heights of the two potential surfaces are found to dramatically influence the reaction cross sections at low energies. Comparison with recent measurements of the reaction cross section (Bobbenkamp et al 2011 J. Chem. Phys. 135 204306) shows similar energy dependence in the threshold regime and an overall good agreement with experimental data compared to previous theoretical results. Also, usefulness of a recently introduced method for ultracold reactions that employ the quantum close-coupling method at short-range and the multichannel quantum defect theory at long-range, is demonstrated in accurately evaluating product state-resolved cross sections for D + H2 and H + D2 reactions.
Multi-dimensional dynamical decoupling based quantum sensing
Wen-Long Ma; Ren-Bao Liu
2015-12-14
Nuclear magnetic resonance (NMR) has enormous applications. Multi-dimensional NMR has been an essential technique to characterize correlations between nuclei and hence molecule structures. Multi-dimensional spectroscopy has also been extended to optics to study correlations in molecules and many-body effects in semiconductors. Towards the ultimate goal of single-molecule NMR, dynamical decoupling (DD) enhanced diamond quantum sensing has enabled detection of single nuclear spins and nanoscale NMR. However, there is still lack of a standard method in DD-based quantum sensing to characterize correlations between nuclear spins in single molecules. Here we present a scheme of multi-dimensional DD-based quantum sensing, as a universal method for correlation spectroscopy of single molecules. We design multi-dimensional DD sequences composed of multiple sets of periodic DD sequences with different periods, which can be independently set to match different transition frequencies for resonant DD. We find that under resonant DD the sensor coherence patterns, as functions of multiple DD pulse numbers, can differentiate different types of correlations between nuclear spin transitions. This work offers a standard approach to correlation spectroscopy for single-molecule NMR.
Theoretical studies of chemical reaction dynamics
Schatz, G.C.
1993-12-01
This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.
Quantum many-body fluctuations around nonlinear Schrödinger dynamics
Chiara Boccato; Serena Cenatiempo; Benjamin Schlein
2015-12-21
We consider the many body quantum dynamics of systems of bosons interacting through a two-body potential $N^{3\\beta-1} V (N^\\beta x)$, scaling with the number of particles $N$. For $0dynamics, governed by a quadratic generator.
Correlated Single Quantum Dot Blinking and Interfacial Electron Transfer Dynamics
Jin, Shengye; Hsiang, Jung-Cheng; Zhu, Haiming; Song, Nianhui; Dickson, Robert M.; Lian, Tianquan
2011-01-01
The electron transfer (ET) dynamics from core/multi-shell (CdSe/CdS3MLZnCdS2MLZnS2ML) quantum dots (QDs) to adsorbed Fluorescein (F27) molecules have been studied by single particle spectroscopy to probe the relationship between single QD interfacial electron transfer and blinking dynamics. Electron transfer from the QD to F27 and the subsequent recombination were directly observed by ensemble-averaged transient absorption spectroscopy. Single QD-F27 complexes show correlated fluctuation of fluorescence intensity and lifetime, similar to those observed in free QDs. With increasing ET rate (controlled by F27-to-QD ratio), the lifetime of on states decreases and relative contribution of off states increases. It was shown that ET is active for QDs in on states, the excited state lifetime of which reflects the ET rate, whereas in the off state QD excitons decay by Auger relaxation and ET is not a competitive quenching pathway. Thus, the blinking dynamics of single QDs modulate their interfacial ET activity. Furthermore, interfacial ET provides an additional pathway for generating off states, leading to correlated single QD interfacial ET and blinking dynamics in QD-acceptor complexes. Because blinking is a general phenomenon of single QDs, it appears that the correlated interfacial ET and blinking and the resulting intermittent ET activity are general phenomena for single QDs. PMID:21915369
Quantum Molecular Dynamics calculation of electrical and thermal transport properties
NASA Astrophysics Data System (ADS)
Desjarlais, Michael
2011-10-01
Dense, strongly-coupled plasmas, with degenerate or partially degenerate electrons--ubiquitous in high energy density physics, inertial fusion, planetary science, and warm dense matter--are very difficult to describe accurately with traditional theoretical approaches. Over the last decade, density functional based molecular dynamics, also know as quantum molecular dynamics (QMD), has emerged as a powerful tool for the study of dense quantum plasmas, providing accurate equation of state, structural, and transport properties. This talk will focus on the QMD calculation of electrical and thermal conductivities with a much higher degree of accuracy than was possible with earlier methods. Within the density functional approach, electrical and thermal conductivities are extracted directly from the electronic orbitals using the Kubo-Greenwood and Chester-Thellung formalisms, circumventing the need to define the ionization states and collision cross sections. These transport calculations have now been used to generate several wide-range transport models for use in large-scale simulation codes, allowing unprecedented simulations of complex experiments. Sandia National Laboratories is a multi program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
NASA Astrophysics Data System (ADS)
Dattani, Nikesh S.
2013-06-01
Functional quantum systems is an emerging research field which includes quantum engineering (the design of technologies that make use of quantum mechanics to outperform their classical counterparts, such as quantum computers, quantum communication devices, quantum thermometers, quantum telescopes, etc.) and the study of natural processes where quantum mechanics provides some improvement that cannot be realized with classical mechanics (possible examples are photosynthesis, animal navigation, the sense of smell, etc.). Being able to predict how a quantum mechanical system changes (ie, how its density matrix changes), given its hamiltonian, is paramount in quantum engineering as one needs to know which hamiltonian will give the desired outcome. Likewise, being able to predict density matrix dynamics in natural systems can help in understanding the system's mechanism, in controlling the system's processes, and can be helpful if designing a technology which attempts to mimic a natural process. State of the art techniques for calculating density matrix dynamics of functional quantum systems in real-time, and with numerically exact accuracy, have been developed over the last year. These techniques will be presented, followed by applications for quantum dot based quantum computing, and for calculating the 2D spectra of large biological systems.
Acceleration of adiabatic quantum dynamics in electromagnetic fields
Masuda, Shumpei; Nakamura, Katsuhiro
2011-10-15
We show a method to accelerate quantum adiabatic dynamics of wave functions under electromagnetic field (EMF) by developing the preceding theory [Masuda and Nakamura, Proc. R. Soc. London Ser. A 466, 1135 (2010)]. Treating the orbital dynamics of a charged particle in EMF, we derive the driving field which accelerates quantum adiabatic dynamics in order to obtain the final adiabatic states in any desired short time. The scheme is consolidated by describing a way to overcome possible singularities in both the additional phase and driving potential due to nodes proper to wave functions under EMF. As explicit examples, we exhibit the fast forward of adiabatic squeezing and transport of excited Landau states with nonzero angular momentum, obtaining the result consistent with the transitionless quantum driving applied to the orbital dynamics in EMF.
Classical versus quantum dynamics of the atomic Josephson junction
NASA Astrophysics Data System (ADS)
Krahn, G. J.; O'Dell, D. H. J.
2009-10-01
We compare the classical (mean-field) dynamics with the quantum dynamics of atomic Bose-Einstein condensates in double-well potentials. The quantum dynamics are computed using a simple scheme based on the Raman-Nath equations. Two different methods for exciting a non-equilibrium state are considered: an asymmetry between the wells which is suddenly removed and a periodic time oscillating asymmetry. The first method generates wave packets that lead to collapses and revivals of the expectation values of the macroscopic variables, and we calculate the time scale for these revivals. The second method permits the excitation of a single energy eigenstate of the many-particle system, including Schrödinger cat states. We also discuss a band theory interpretation of the energy level structure of an asymmetric double well, thereby identifying analogies to Bloch oscillations and Bragg resonances. Both the Bloch and Bragg dynamics are purely quantum and are not contained in the mean-field treatment.
Globus, Gordon
2015-12-01
Heideggerian theory is retrieved as a dynamics, the "Godly event" of das Ereignis ("enowning"), which is unexpectedly compatible with a version of quantum brain dynamics. In both the "between" (das Zwischen) has the fundamental role of the dis-closure that is Existenz. Heidegger's harsh critique of technology and science does not apply to revolutionary quantum brain dynamics. The crossing between Heidegger and quantum brain dynamics, as well as one fundamental ontological difference, illuminates both. To our surprise this difference turns out, contra Heidegger, to be monadological. The monadological conception is applied to long-standing problematics of measurement in quantum physics and consciousness in philosophy. Heideggerian Existenz is affirmed as fundamentally non-computational but is reformulated as a dynamical process of monadological dis-closure that radically deconstructs transcendent world. PMID:26193172
Frictionless quantum quenches in ultracold gases: A quantum-dynamical microscope
Campo, A. de
2011-09-15
In this Rapid Communication, a method is proposed to spatially scale up a trapped ultracold gas while conserving the quantum correlations of the initial many-body state. For systems supporting self-similar dynamics, this is achieved by implementing an engineered finite-time quench of the harmonic trap, which induces a frictionless expansion of the gas and acts as a quantum dynamical microscope.
A Measure of Non-Markovianity for Unital Quantum Dynamical Maps
S. Haseli; S. Salimi; A. S. Khorashad
2015-09-22
One of the most important topics in the study of the dynamics of open quantum system is information exchange between system and environment. Based on the features of a back-flow information from an environment to a system, an approach is provided to detect non-Markovianity for unital dynamical maps. The method takes advantage of non-contractive property of the von Neumann entropy under completely positive and trace preserving unital maps. Accordingly, for the dynamics of a single qubit as an open quantum system, the sign of the time-derivative of the density matrix eigenvalues of the system determines the non-Markovianity of unital quantum dynamical maps. The main characteristics of the measure is to make the corresponding calculations and optimization procedure simpler.
A measure of non-Markovianity for unital quantum dynamical maps
NASA Astrophysics Data System (ADS)
Haseli, S.; Salimi, S.; Khorashad, A. S.
2015-09-01
One of the most important topics in the study of the dynamics of open quantum systems is the information exchange between system and environment. Based on the features of back-flow information from an environment to a system, an approach is provided to detect non-Markovianity for unital dynamical maps. The method takes advantage of non-contraction property of the von Neumann entropy under completely positive and trace-preserving unital maps. Accordingly, for the dynamics of a single qubit as an open quantum system, the sign of the time derivative of the density matrix eigenvalues of the system determines the non-Markovianity of unital quantum dynamical maps. The main characteristics of the measure are to make the corresponding calculations and optimization procedure simpler.
Fayer, Michael D.
Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations the nature and dynamics of the phenol-benzene complex in the mixed solvent, benzene/CCl4. Under thermal used for the phenol-benzene interaction in the MD simulations is in good accord with the highest level
NASA Astrophysics Data System (ADS)
Improta, Roberto; Santoro, Fabrizio; Barone, Vincenzo; Lami, Alessandro
2009-10-01
A simple vibronic model aimed at investigating the interplay between bright excitonic states and dark charge-transfer (CT) states in stacked adenine (Ade) nucleobases is presented. Two orbitals (the HOMO and the LUMO) for each Ade site have been included in the electronic Hamiltonian, whose parameters have been fitted to reproduce the main features of the absorption spectra of two stacked 9-methyladenine (9Me-A) molecules, computed in aqueous solution at the PCM/TD-PBE0 level. Three modes for each adenine unit have been included in the Hamiltonian, to describe the main structural changes among the different excited state minima of the adenine stacked dimer, as described at the TD-DFT level. The developed vibronic Hamiltonian (four electronic states and six nuclear coordinates) has been adopted to perform quantum dynamical calculations of a photoexcited Ade stacked dimer, utilizing the multiconfigurational time-dependent Hartree method. The obtained results indicate that the transfer between the bright excitonic state and the CT state is fast and effective.
Quantum-like model of unconscious–conscious dynamics
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
Godsi, Oded; Peskin, Uri; Collins, Michael A.
2010-03-28
A quantum sampling algorithm for the interpolation of diabatic potential energy matrices by the Grow method is introduced. The new procedure benefits from penetration of the wave packet into classically forbidden regions, and the accurate quantum mechanical description of nonadiabatic transitions. The increased complexity associated with running quantum dynamics is reduced by using approximate low order expansions of the nuclear wave function within a Multi-configuration time-dependent Hartree scheme during the Grow process. The sampling algorithm is formulated and applied for three representative test cases, demonstrating the recovery of analytic potentials by the interpolated ones, and the convergence of a dynamic observable.
Gas-Phase Molecular Dynamics: Theoretical Studies In Spectroscopy and Chemical Dynamics
Yu H. G.; Muckerman, J.T.
2012-05-29
The main goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods, and extends them to understand some important properties of materials in condensed phases and interstellar medium as well as in combustion environments.
Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics
Yu, H.G.; Muckerman, J.T.
2010-06-01
The goal of this program is the development and application of computational methods for studying chemical reaction dynamics and molecular spectroscopy in the gas phase. We are interested in developing rigorous quantum dynamics algorithms for small polyatomic systems and in implementing approximate approaches for complex ones. Particular focus is on the dynamics and kinetics of chemical reactions and on the rovibrational spectra of species involved in combustion processes. This research also explores the potential energy surfaces of these systems of interest using state-of-the-art quantum chemistry methods.
Batalhão, Tiago B; Souza, Alexandre M; Mazzola, Laura; Auccaise, Ruben; Sarthour, Roberto S; Oliveira, Ivan S; Goold, John; De Chiara, Gabriele; Paternostro, Mauro; Serra, Roberto M
2014-10-01
We report the experimental reconstruction of the nonequilibrium work probability distribution in a closed quantum system, and the study of the corresponding quantum fluctuation relations. The experiment uses a liquid-state nuclear magnetic resonance platform that offers full control on the preparation and dynamics of the system. Our endeavors enable the characterization of the out-of-equilibrium dynamics of a quantum spin from a finite-time thermodynamics viewpoint. PMID:25325627
Lectures on Dynamical Models for Quantum Measurements
NASA Astrophysics Data System (ADS)
Nieuwenhuizen, Theo M.; Perarnau-Llobet, Martí Balian, Roger
2015-10-01
In textbooks, ideal quantum measurements are described in terms of the tested system only by the collapse postulate and Born's rule. This level of description offers a rather flexible position for the interpretation of quantum mechanics. Here we analyse an ideal measurement as a process of interaction between the tested system S and an apparatus A, so as to derive the properties postulated in textbooks. We thus consider within standard quantum mechanics the measurement of a quantum spin component ?z by an apparatus A, being a magnet coupled to a bath. We first consider the evolution of the density operator of S+A describing a large set of runs of the measurement process. The approach describes the disappearance of the off-diagonal terms ("truncation") of the density matrix as a physical effect due to A, while the registration of the outcome has classical features due to the large size of the pointer variable, the magnetisation. A quantum ambiguity implies that the density matrix at the final time can be decomposed on many bases, not only the one of the measurement. This quantum oddity prevents to connect individual outcomes to measurements, a difficulty known as the "measurement problem". It is shown that it is circumvented by the apparatus as well, since the evolution in a small time interval erases all decompositions, except the one on the measurement basis. Once one can derive the outcome of individual events from quantum theory, the so-called "collapse of the wave function" or the "reduction of the state" appears as the result of a selection of runs among the original large set. Hence nothing more than standard quantum mechanics is needed to explain features of measurements. The employed statistical formulation is advocated for the teaching of quantum theory.
Lectures on dynamical models for quantum measurements
NASA Astrophysics Data System (ADS)
Nieuwenhuizen, Theo M.; Perarnau-Llobet, Marti; Balian, Roger
2014-06-01
In textbooks, ideal quantum measurements are described in terms of the tested system only by the collapse postulate and Born's rule. This level of description offers a rather flexible position for the interpretation of quantum mechanics. Here we analyse an ideal measurement as a process of interaction between the tested system S and an apparatus A, so as to derive the properties postulated in textbooks. We thus consider within standard quantum mechanics the measurement of a quantum spin component ?z by an apparatus A, being a magnet coupled to a bath. We first consider the evolution of the density operator of S + A describing a large set of runs of the measurement process. The approach describes the disappearance of the off-diagonal terms ("truncation") of the density matrix as a physical effect due to A, while the registration of the outcome has classical features due to the large size of the pointer variable, the magnetization. A quantum ambiguity implies that the density matrix at the final time can be decomposed on many bases, not only the one of the measurement. This quantum oddity prevents to connect individual outcomes to measurements, a difficulty known as the "measurement problem". It is shown that it is circumvented by the apparatus as well, since the evolution in a small time interval erases all decompositions, except the one on the measurement basis. Once one can derive the outcome of individual events from quantum theory, the so-called collapse of the wavefunction or the reduction of the state appears as the result of a selection of runs among the original large set. Hence nothing more than standard quantum mechanics is needed to explain features of measurements. The employed statistical formulation is advocated for the teaching of quantum theory.
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.
Many-body Quantum Reaction Dynamics near the Fusion Barrier
NASA Astrophysics Data System (ADS)
Dasgupta, M.; Luong, D. H.; Hinde, D. J.; Evers, M.
2014-03-01
The understanding of quantum effects in determining nuclear reaction outcomes is evolving as improved experimental techniques reveal new facets of interaction dynamics. Whilst the phenomenon of coupling-enhanced quantum tunnelling is understood to arise due to quantum superposition, the observed inhibition of fusion at energies well below the barrier is not yet quantitatively understood. Collisions involving weakly-bound nuclei, which have low energy thresholds against breakup, present further challenges. Recent coincidence measurements for reactions of weakly bound stable nuclei have not only provided a complete picture of the physical mechanisms triggering breakup, but have also shown how information on reaction dynamics occurring on time-scales of ~zepto-seconds can be obtained experimentally. These new experimental findings demand major developments in quantum models of near-barrier nuclear reactions.
Investigations of quantum pendulum dynamics in a spin-1 BEC
NASA Astrophysics Data System (ADS)
Hoang, Thai; Gerving, Corey; Land, Ben; Anquez, Martin; Hamley, Chris; Chapman, Michael
2013-05-01
We investigate the quantum spin dynamics of a spin-1 BEC initialized to an unstable critical point of the dynamical phase space. The subsequent evolution of the collective states of the system is analogous to an inverted simple pendulum in the quantum limit and yields non-classical states with quantum correlations. For short evolution times in the low depletion limit, we observe squeezed states and for longer times beyond the low depletion limit we observe highly non-Gaussian distributions. C.D. Hamley, C.S. Gerving, T.M. Hoang, E.M. Bookjans, and M.S. Chapman, ``Spin-Nematic Squeezed Vacuum in a Quantum Gas,'' Nature Physics 8, 305-308 (2012).
Truong, Thanh N.
-flux correlation function for calculating the thermal rate constants of chemical reactions in solution in this study would provide a complete tool for studying the quantum dynamics of chemical reactions the thermal chemical reaction rate constants. Furthermore, we also employ an efficient and accurate quantum
Carrier dynamics in site- and structure-controlled InGaN/GaN quantum dots
NASA Astrophysics Data System (ADS)
Zhang, Lei; Hill, Tyler A.; Teng, Chu-Hsiang; Demory, Brandon; Ku, Pei-Cheng; Deng, Hui
2014-12-01
We report on the carrier dynamics in InGaN/GaN dot-in-nanowire quantum dots, revealed by a systematic mapping between the optical properties and structural parameters of the quantum dots. Such a study is made possible by using quantum dots with precisely controlled locations and sizes. We show that the carrier dynamics is governed by two competing mechanisms: (1) Excitons are protected from surface recombination by a potential barrier formed due to strain relaxation at the sidewall surface. (2) Excitons can overcome the potential barrier by tunneling and thermal activation. This carrier dynamics model successfully explains the following surprising experimental findings on individual quantum dots. First, there exist strong statistical correlations among multiple optical properties of many individual quantum dots, despite variations of these properties resulting from inevitable structural variations among the quantum dots. Second, the antibunching property of the quantum dot emission exhibits an abnormal ladle-shaped dependence on the decay time and temperature. Our results can guide the way toward nitride-based high-temperature single-photon emitters and nanophotonic devices.
Fermi-surface collapse and dynamical scaling near a quantum-critical point.
Friedemann, Sven; Oeschler, Niels; Wirth, Steffen; Krellner, Cornelius; Geibel, Christoph; Steglich, Frank; Paschen, Silke; Kirchner, Stefan; Si, Qimiao
2010-08-17
Quantum criticality arises when a macroscopic phase of matter undergoes a continuous transformation at zero temperature. While the collective fluctuations at quantum-critical points are being increasingly recognized as playing an important role in a wide range of quantum materials, the nature of the underlying quantum-critical excitations remains poorly understood. Here we report in-depth measurements of the Hall effect in the heavy-fermion metal YbRh(2)Si(2), a prototypical system for quantum criticality. We isolate a rapid crossover of the isothermal Hall coefficient clearly connected to the quantum-critical point from a smooth background contribution; the latter exists away from the quantum-critical point and is detectable through our studies only over a wide range of magnetic field. Importantly, the width of the critical crossover is proportional to temperature, which violates the predictions of conventional theory and is instead consistent with an energy over temperature, E/T, scaling of the quantum-critical single-electron fluctuation spectrum. Our results provide evidence that the quantum-dynamical scaling and a critical Kondo breakdown simultaneously operate in the same material. Correspondingly, we infer that macroscopic scale-invariant fluctuations emerge from the microscopic many-body excitations associated with a collapsing Fermi-surface. This insight is expected to be relevant to the unconventional finite-temperature behavior in a broad range of strongly correlated quantum systems. PMID:20668246
Uniqueness regime for Markov dynamics on quantum lattice spin systems
NASA Astrophysics Data System (ADS)
Crawford, N.; De Roeck, W.; Schütz, M.
2015-10-01
We consider a lattice of weakly interacting quantum Markov processes. Without interaction, the dynamics at each site is relaxing exponentially to a unique stationary state. With interaction, we show that there remains a unique stationary state in the thermodynamic limit, i.e. absence of phase coexistence, and the relaxation towards it is exponentially fast for local observables. We do not assume that the quantum Markov process is reversible (detailed balance) w.r.t. a local Hamiltonian.
Uniqueness regime for Markov dynamics on quantum lattice spin systems
Nicholas Crawford; Wojciech De Roeck; Marius Schütz
2015-10-16
We consider a lattice of weakly interacting quantum Markov processes. Without interaction, the dynamics at each site is relaxing exponentially to a unique stationary state. With interaction, we show that there remains a unique stationary state in the thermodynamic limit, i.e. absence of phase coexistence, and the relaxation towards it is exponentially fast for local observables. We do not assume that the quantum Markov process is reversible (detailed balance) w.r.t. a local Hamiltonian.
Quantum modeling of nonlinear dynamics of stock prices: Bohmian approach
NASA Astrophysics Data System (ADS)
Choustova, O.
2007-08-01
We use quantum mechanical methods to model the price dynamics in the financial market mathematically. We propose describing behavioral financial factors using the pilot-wave (Bohmian) model of quantum mechanics. The real price trajectories are determined (via the financial analogue of the second Newton law) by two financial potentials: the classical-like potential V (q) (“hard” market conditions) and the quantumlike potential U(q) (behavioral market conditions).
Quantum Dynamics of a Bose Superfluid Vortex
Thompson, Lara
We derive a fully quantum-mechanical equation of motion for a vortex in a 2-dimensional Bose superfluid in the temperature regime where the normal fluid density ?[subscript n](T) is small. The coupling between the vortex ...
Scaling and Universality at Dynamical Quantum Phase Transitions
NASA Astrophysics Data System (ADS)
Heyl, Markus
2015-10-01
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.
Scaling and Universality at Dynamical Quantum Phase Transitions.
Heyl, Markus
2015-10-01
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. PMID:26551800
Dokainish, Hisham M; Gauld, James W
2013-03-12
The catalytic mechanism of MsrA in Mycobacterium tuberculosis, in which S-methionine sulfoxide (Met-O) is reduced to methionine (Met), has been investigated using docking, molecular dynamics (MD) simulations, and ONIOM (quantum mechanics/molecular mechanics) methods. In addition, the roles of specific active site residues, including an aspartyl (Asp87) near the recycling cysteine, tyrosyls (Tyr44 and Tyr92), and glutamyl (Glu52), have been examined, as well as the general effects of the protein and active site on the nature and properties of mechanistic intermediates. The mechanism is initiated by the transfer of a proton from the catalytic cysteine's thiol (Cys13SH) via a bridging water to the R group carboxylate of Glu52. The now anionic sulfur of Cys13 nucleophilically attacks the substrate's sulfur with concomitant transfer of a proton from Glu52 to the sulfoxide oxygen, generating a sulfurane. The active site enhances the proton affinity of the sulfurane oxygen, which can readily accept a proton from the phenolic hydroxyls of Tyr44 or Tyr92 to give a sulfonium cation. Subsequently, Asp87 and the recycling cysteine (Cys154) can facilitate nucleophilic attack of a solvent water at the Cys13S center of the sulfonium to give a sulfenic acid (Cys13SOH) and Met. For the subsequent reduction of Cys13SOH with intramolecular disulfide bond formation, Asp87 can help facilitate nucleophilic attack of Cys154S at the sulfur of Cys13SOH by deprotonating its thiol. This reduction is found likely to occur readily upon suitable positioning of the active site hydrogen bond network and the sulfur centers of both Cys13 and Cys154. The calculated rate-limiting barrier is in good agreement with experiment. PMID:23418817
Observations of Quantum Dynamics by Solution-State NMR Spectroscopy
M. A. Pravia; E. Fortunato; Y. Weinstein; M. D. Price; G. Teklemariam; R. J. Nelson; Y. Sharf; S. Somaroo; C. H. Tseng; T. F. Havel; D. G. Cory
1999-06-18
NMR is emerging as a valuable testbed for the investigation of foundational questions in quantum mechanics. The present paper outlines the preparation of a class of mixed states, called pseudo-pure states, that emulate pure quantum states in the highly mixed environment typically used to describe solution-state NMR samples. It also describes the NMR observation of spinor behavior in spin 1/2 nuclei, the simulation of wave function collapse using a magnetic field gradient, the creation of entangled (or Bell) pseudo-pure states, and a brief discussion of quantum computing logic gates, including the Quantum Fourier Transform. These experiments show that liquid-state NMR can be used to demonstrate quantum dynamics at a level suitable for laboratory exercises.
A Dynamical Theory of Quantum Measurement and Spontaneous Localization
V. P. Belavkin
2005-12-21
We develop a rigorous treatment of discontinuous stochastic unitary evolution for a system of quantum particles that interacts singularly with quantum "bubbles" at random instants of time. This model of a "cloud chamber" allows to watch and follow with a quantum particle along the trajectory in the cloud chamber by sequential unsharp localization of spontaneous scatterings of the bubbles. Thus, the continuous reduction and spontaneous localization theory is obtained as the result of quantum filtering theory, i.e., a theory describing the conditioning of the a priori quantum state by the measurement data. We show that in the case of indistinguishable particles the a posteriori dynamics is mixing, giving rise to an irreversible Boltzmann-type reduction equation. The latter coincides with the nonstochastic Schroedinger equation only in the mean field approximation, whereas the central limit yields Gaussian mixing fluctuations described by stochastic reduction equations of diffusive type.
Stochastic approximation of dynamical exponent at quantum critical point
NASA Astrophysics Data System (ADS)
Yasuda, Shinya; Suwa, Hidemaro; Todo, Synge
2015-09-01
We have developed a unified finite-size scaling method for quantum phase transitions that requires no prior knowledge of the dynamical exponent z . During a quantum Monte Carlo simulation, the temperature is automatically tuned by the Robbins-Monro stochastic approximation method, being proportional to the lowest gap of the finite-size system. The dynamical exponent is estimated in a straightforward way from the system-size dependence of the temperature. As a demonstration of our novel method, the two-dimensional S =1 /2 quantum X Y model in uniform and staggered magnetic fields is investigated in the combination of the world-line quantum Monte Carlo worm algorithm. In the absence of a uniform magnetic field, we obtain the fully consistent result with the Lorentz invariance at the quantum critical point, z =1 , i.e., the three-dimensional classical X Y universality class. Under a finite uniform magnetic field, on the other hand, the dynamical exponent becomes two, and the mean-field universality with effective dimension (2 +2 ) governs the quantum phase transition.
The quantum-jump approach to dissipative dynamics in quantum optics
in an irreversible decay as excitation leaks out of the initially excited microsystems into the outer reservoir with Langevin equations. The development of experimental techniques to study single quantum systems (for example of the quantum-jump approach 109 2. The detection and nondetection of photons 111 3. The quantum-jump approach
Quantum dynamics and state-dependent affine gauge fields on CP(N-1)
Peter Leifer
2008-04-11
Gauge fields frequently used as an independent construction additional to so-called wave fields of matter. This artificial separation is of course useful in some applications (like Berry's interactions between the "heavy" and "light" sub-systems) but it is restrictive on the fundamental level of "elementary" particles and entangled states. It is shown that the linear superposition of action states and non-linear dynamics of the local dynamical variables form an oscillons of energy representing non-local particles - "lumps" arising together with their "affine gauge potential" agrees with Fubini-Study metric. I use the conservation laws of local dynamical variables (LDV's) during affine parallel transport in complex projective Hilbert space $CP(N-1)$ for twofold aim. Firstly, I formulate the variation problem for the ``affine gauge potential" as system of partial differential equations \\cite{Le1}. Their solutions provide embedding quantum dynamics into dynamical space-time whose state-dependent coordinates related to the qubit spinor subjected to Lorentz transformations of "quantum boosts" and "quantum rotations". Thereby, the problem of quantum measurement being reformulated as the comparison of LDV's during their affine parallel transport in $CP(N-1)$, is inherently connected with space-time emergences. Secondly, the important application of these fields is the completeness of quantum theory. The EPR and Schr\\"odinger's Cat paradoxes are discussed from the point of view of the restored Lorentz invariance due to the affine parallel transport of local Hamiltonian of the soliton-like field.
Optimal dynamics for quantum-state and entanglement transfer through homogeneous quantum systems
Banchi, L.; Apollaro, T. J. G.; Cuccoli, A.; Vaia, R.; Verrucchi, P.
2010-11-15
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.
Yan, Pengxiu; Wang, Yuping; Li, Yida; Wang, Dunyou
2015-04-28
A time-dependent, quantum reaction dynamics calculation with seven degrees of freedom was carried out to study the energy efficiency in surmounting the approximate center energy barrier of OH + CH{sub 3}. The calculation shows the OH vibration excitations greatly enhance the reactivity, whereas the vibrational excitations of CH{sub 3} and the rotational excitations hinder the reactivity. On the basis of equal amount of total energy, although this reaction has a slight early barrier, it is the OH vibrational energy that is the dominate force in promoting the reactivity, not the translational energy. The studies on both the forward O + CH{sub 4} and reverse OH + CH{sub 3} reactions demonstrate, for these central barrier reactions, a small change of the barrier location can significantly change the energy efficacy roles on the reactivity. The calculated rate constants agree with the experimental data.
Reversibility of dynamics and multiple-quantum coherences
NASA Astrophysics Data System (ADS)
Khitrin, A. K.
2015-11-01
In spin systems, the decay of the Loschmidt echo in the time-reversal experiment (evolution-perturbation-time-reversed evolution) is linked to the generation of multiple-quantum (MQ) coherences. Unlimited growth of the MQ coherences leads to irreversibility of dynamics. In some cases, one can expect that the deviation of the Loschmidt echo and the second moment of the MQ intensities distribution are linear in time. The criteria of such behavior, called weak irreversibility, are formulated. The proposed approach can be extended beyond spin systems, in order to analyze some general aspects of reversibility of many-body quantum dynamics.
Measuring dynamical randomness of quantum chaos by statistics of Schmidt eigenvalues.
Kubotani, Hiroto; Adachi, Satoshi; Toda, Mikito
2013-06-01
We study statistics of entanglement generated by quantum chaotic dynamics. Using an ensemble of the very large number (>/~10(7)) of quantum states obtained from the temporally evolving coupled kicked tops, we verify that the estimated one-body distribution of the squared Schmidt eigenvalues for the quantum chaotic dynamics can agree surprisingly well with the analytical one for the universality class of the random matrices described by the fixed trace ensemble (FTE). In order to quantify this agreement, we introduce the L(1) norm of the difference between the one-body distributions for the quantum chaos and FTE and use it as an indicator of the dynamical randomness. As we increase the scaled coupling constant, the L(1) difference decreases. When the effective Planck constant is not small enough, the decrease saturates, which implies quantum suppression of dynamical randomness. On the other hand, when the effective Planck constant is small enough, the decrease of the L(1) difference continues until it is masked by statistical fluctuation due to finiteness of the ensemble. Furthermore, we carry out two statistical analyses, the ?(2) goodness of fit test and an autocorrelation analysis, on the difference between the distributions to seek for dynamical remnants buried under the statistical fluctuation. We observe that almost all fluctuating deviations are statistical. However, even for well-developed quantum chaos, unexpectedly, we find a slight nonstatistical deviation near the largest Schmidt eigenvalue. In this way, the statistics of Schmidt eigenvalues enables us to measure dynamical randomness of quantum chaos with reference to the random matrix theory of FTE. PMID:23848762
Quantum diffusion dynamics in nonlinear systems: a modified kicked-rotor model.
Gong, Jiangbin; Wang, Jiao
2007-09-01
Using a simple method analogous to a quantum rephasing technique, a simple modification to a paradigm of classical and quantum chaos is proposed. The interesting quantum maps thus obtained display remarkably rich quantum dynamics. Emphasis is placed on the destruction of dynamical localization without breaking periodicity, unbounded quantum anomalous diffusion in integrable systems, and transient dynamical localization. Experimental realizations of this work are also discussed. PMID:17930333
Quantum extensions of dynamical systems and of Markov semigroups
Ivan Bardet
2015-09-16
We investigate some particular completely positive maps which admit a stable commutative Von Neumann subalgebra. The restriction of such maps to the stable algebra is then a Markov operator. In the first part of this article, we propose a recipe in order to find a quantum extension of a given Markov operator in the above sense. We show that the existence of such an extension is linked with the existence of a special form of dilation for the Markov operator studied by Attal in \\cite{Att1}, reducing the problem to the extension of dynamical system. We then apply our method to the same problem in continuous time, proving the existence of a quantum extension for L\\'evy processes. In the second part of this article, we focus on the case where the commutative algebra is isomorphic to $\\Acal=l^\\infty(1,...,N)$ with $N$ either finite or infinite. We propose a classification of the CP maps leaving $\\Acal$ stable, producing physical examples of each classes.
NASA Astrophysics Data System (ADS)
Manikandan, Paranjothy; Hase, William L.
2012-05-01
Previous studies have shown that classical trajectory simulations often give accurate results for short-time intramolecular and unimolecular dynamics, particularly for initial non-random energy distributions. To obtain such agreement between experiment and simulation, the appropriate distributions must be sampled to choose initial coordinates and momenta for the ensemble of trajectories. If a molecule's classical phase space is sampled randomly, its initial decomposition will give the classical anharmonic microcanonical (RRKM) unimolecular rate constant for its decomposition. For the work presented here, classical trajectory simulations of the unimolecular decomposition of quantum and classical microcanonical ensembles, at the same fixed total energy, are compared. In contrast to the classical microcanonical ensemble, the quantum microcanonical ensemble does not sample the phase space randomly. The simulations were performed for CH4, C2H5, and Cl----CH3Br using both analytic potential energy surfaces and direct dynamics methods. Previous studies identified intrinsic RRKM dynamics for CH4 and C2H5, but intrinsic non-RRKM dynamics for Cl----CH3Br. Rate constants calculated from trajectories obtained by the time propagation of the classical and quantum microcanonical ensembles are compared with the corresponding harmonic RRKM estimates to obtain anharmonic corrections to the RRKM rate constants. The relevance and accuracy of the classical trajectory simulation of the quantum microcanonical ensemble, for obtaining the quantum anharmonic RRKM rate constant, is discussed.
Coherent quantum dynamics: What fluctuations can tell
NASA Astrophysics Data System (ADS)
Schliemann, John
2015-08-01
Coherent states provide a natural connection of quantum systems to their classical limit and are employed in various fields of physics. Here we derive general systematic expansions, with respect to quantum parameters, of expectation values of products of arbitrary operators within both oscillator coherent states and SU(2) coherent states. In particular, we generally prove that the energy fluctuations of an arbitrary Hamiltonian are in leading order entirely due to the time dependence of the classical variables. These results add to the list of well-known properties of coherent states and are applied here to the Lipkin-Meshkov-Glick model, the Dicke model, and to coherent intertwiners in spin networks as considered in loop quantum gravity.
Sensing of molecules using quantum dynamics.
Migliore, Agostino; Naaman, Ron; Beratan, David N
2015-05-12
We design sensors where information is transferred between the sensing event and the actuator via quantum relaxation processes, through distances of a few nanometers. We thus explore the possibility of sensing using intrinsically quantum mechanical phenomena that are also at play in photobiology, bioenergetics, and information processing. Specifically, we analyze schemes for sensing based on charge transfer and polarization (electronic relaxation) processes. These devices can have surprising properties. Their sensitivity can increase with increasing separation between the sites of sensing (the receptor) and the actuator (often a solid-state substrate). This counterintuitive response and other quantum features give these devices favorable characteristics, such as enhanced sensitivity and selectivity. Using coherent phenomena at the core of molecular sensing presents technical challenges but also suggests appealing schemes for molecular sensing and information transfer in supramolecular structures. PMID:25911636
Sensing of molecules using quantum dynamics
Migliore, Agostino; Naaman, Ron; Beratan, David N.
2015-01-01
We design sensors where information is transferred between the sensing event and the actuator via quantum relaxation processes, through distances of a few nanometers. We thus explore the possibility of sensing using intrinsically quantum mechanical phenomena that are also at play in photobiology, bioenergetics, and information processing. Specifically, we analyze schemes for sensing based on charge transfer and polarization (electronic relaxation) processes. These devices can have surprising properties. Their sensitivity can increase with increasing separation between the sites of sensing (the receptor) and the actuator (often a solid-state substrate). This counterintuitive response and other quantum features give these devices favorable characteristics, such as enhanced sensitivity and selectivity. Using coherent phenomena at the core of molecular sensing presents technical challenges but also suggests appealing schemes for molecular sensing and information transfer in supramolecular structures. PMID:25911636
Theory of dynamic nuclear polarization and feedback in quantum dots
NASA Astrophysics Data System (ADS)
Economou, Sophia E.; Barnes, Edwin
2014-04-01
An electron confined in a quantum dot interacts with its local nuclear spin environment through the hyperfine contact interaction. This interaction combined with external control and relaxation or measurement of the electron spin allows for the generation of dynamic nuclear polarization. The quantum nature of the nuclear bath, along with the interplay of coherent external fields and incoherent dynamics in these systems renders a wealth of intriguing phenomena seen in recent experiments such as electron Zeeman frequency focusing, hysteresis, and line dragging. We develop in detail a fully quantum, self-consistent theory that can be applied to such experiments and that moreover has predictive power. Our theory uses the operator sum representation formalism in order to incorporate the incoherent dynamics caused by the additional, Markovian bath, which in self-assembled dots is the vacuum field responsible for electron-hole optical recombination. The beauty of this formalism is that it reduces the complexity of the problem by encoding the joint dynamics of the external coherent and incoherent driving in an effective dynamical map that only acts on the electron spin subspace. This, together with the separation of time scales in the problem, allows for a tractable and analytically solvable formalism. The key role of entanglement between the electron spin and the nuclear spins in the formation of dynamic nuclear polarization naturally follows from our solution. We demonstrate the theory in detail for an optical pulsed experiment and present an in-depth discussion and physical explanation of our results.
Studies of quantum dots in the quantum Hall regime
NASA Astrophysics Data System (ADS)
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 .
Quantum circuit analog of the dynamical Casimir effect
NASA Astrophysics Data System (ADS)
Fujii, Toshiyuki; Matsuo, Shigemasa; Hatakenaka, Noriyuki; Kurihara, Susumu; Zeilinger, Anton
2011-11-01
We investigate a quantum-circuit analog of the dynamical Casimir effect discussed in cavity quantum electrodynamics (QED). A double superconducting quantum interference device (SQUID), consisting of a superconducting loop interrupted by a dc-SQUID, is regarded as a harmonic oscillator with a time-dependent frequency imitating the nonadiabatic boundaries in a cavity QED. Squeezing occurs due to parametric processes inherent in the system. We reformulate squeezing based on the Bogoliubov transformation between eigenstates at different times and derive the analytic formula for quantum-state evolutions of the system. The squeezing parameter clearly reveals the relationship between squeezing and nonadiabatic nature of the system. Thus, the squeezing parameter serves as a measure for the dynamical Casimir effect. We demonstrate squeezing for two types of frequency modulation and propose a method for measuring squeezing by using a circuit QED technique under coherent oscillations between an artificial atom and an LC circuit in the presence of dissipation. These observations suggest that a quantum circuit with a Josephson junction is a promising candidate for detecting the dynamical Casimir effect.
Quantum Mechanics, Nonlinear Dynamics, and Correlated Statistical Mechanics
NASA Astrophysics Data System (ADS)
McHarris, Wm. C.
2007-02-01
Many of the so-called paradoxes of orthodox quantum mechanics can be shown to have parallel, more logical interpretations in the realm of nonlinear dynamics and chaos theory. Among these are violations of Bell-type inequalities, which in comparing "classical" mechanics with quantum mechanics implicitly compare uncorrelated and correlated statistics. During the past decade research in the field of nonextensive thermodynamics (including Tsallis entropy) has demonstrated the existence of many statistical correlations in classical, nonlinear systems. When such correlations exist, the conventional classical upper limit on statistical correlations in Bell-type experiments can easily be raised to overlap with quantum mechanical predictions involving correlated states such as the Bell singlet state, a favorite for deriving Bell inequalities. Thus, arguments based on experimental violations of Bell-type inequalities, which rule out the existence of "local reality," become moot. Perhaps quantum mechanics does have a deterministic, ontological basis, albeit one based in nonlinear dynamics and chaos theory. If so, deterministic chaos could provide Einstein's longed-for fundamental determinism, but because chaotic systems must be interpreted statistically, this also fits in quite well with the ideas of Bohr — Einstein and Bohr both could have been correct! It should be emphasized that the concept of nonlinear dynamics and chaos underpinning quantum mechanics does not involve hidden variables, nor does the fact that chaos is deterministic interlope on the existence of free will.
Spatiotemporal carrier dynamics in quantum wells under surface acoustic waves
NASA Astrophysics Data System (ADS)
García-Cristóbal, A.; Cantarero, A.; Alsina, F.; Santos, P. V.
2004-05-01
We present a theoretical study of transport and recombination of electrons and holes in quantum wells under the piezoelectric field induced by a surface acoustic wave (SAW). Our model calculations, which include free carriers and excitons in the framework of the drift-diffusion equations, describe the spatial and time dependences of the photoluminescence intensity on excitation density and SAW amplitude, and show overall agreement with recent microphotoluminescence experiments performed on GaAs/(Al,Ga)As quantum wells and quantum wires.
Non-Markovian dynamics without using a quantum trajectory
Wu Chengjun; Li Yang; Zhu Mingyi; Guo Hong
2011-05-15
Open quantum systems interacting with structured environments is important and manifests non-Markovian behavior, which was conventionally studied using a quantum trajectory stochastic method. In this paper, by dividing the effects of the environment into two parts, we propose a deterministic method without using a quantum trajectory. This method is more efficient and accurate than the stochastic method in most Markovian and non-Markovian cases. We also extend this method to the generalized Lindblad master equation.
Dynamical suppression of telegraph and 1/f noise due to quantum bistable fluctuators
Falci, G.; D'Arrigo, A.; Mastellone, A.; Paladino, E.
2004-10-01
We study dynamical decoupling of a qubit from non-Gaussian quantum noise due to discrete sources, as bistable fluctuators and 1/f noise. We obtain analytic and numerical results for generic operating points. For very large pulse frequency, where dynamic decoupling compensates decoherence, we found universal behavior. At intermediate frequencies noise can be compensated or enhanced, depending on the nature of the fluctuators and on the operating point. Our technique can be applied to a larger class of non-Gaussian environments.
Quantum-circuit design for efficient simulations of many-body quantum dynamics
Sadegh Raeisi; Nathan Wiebe; Barry C. Sanders
2012-10-10
We construct an efficient autonomous quantum-circuit design algorithm for creating efficient quantum circuits to simulate Hamiltonian many-body quantum dynamics for arbitrary input states. The resultant quantum circuits have optimal space complexity and employ a sequence of gates that is close to optimal with respect to time complexity. We also devise an algorithm that exploits commutativity to optimize the circuits for parallel execution. As examples, we show how our autonomous algorithm constructs circuits for simulating the dynamics of Kitaev's honeycomb model and the Bardeen-Cooper-Schrieffer model of superconductivity. Furthermore we provide numerical evidence that the rigorously proven upper bounds for the simulation error here and in previous work may sometimes overestimate the error by orders of magnitude compared to the best achievable performance for some physics-inspired simulations.
Quantum-like dynamics of decision-making
NASA Astrophysics Data System (ADS)
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.
Dynamical mass generation in continuum quantum chromodynamics
NASA Astrophysics Data System (ADS)
Cornwall, John M.
1982-09-01
We study the formation of a mass gap, or effective gluon mass (and consequent dimensionful parameters such as the string tension, glueball mass,
Voltage Induced Dynamical Quantum Phase Transitions in Exciton Condensates Moon Jip Park
Gilbert, Matthew
characterized by partially coherent charge transfer between layers, before the state relaxes to incoherent8 , and semiconductor quantum wells915 . In each of these settings, the Coulomb interaction between spatially seg are required. As a corollary, recent study in dynamical phase transitions in transverse field Ising model have
Theoretical method for analyzing quantum dynamics of correlated photons
Koshino, Kazuki; Nakatani, Masatoshi
2009-05-15
We present a theoretical method for the efficient analysis of quantum nonlinear dynamics of correlated photons. Since correlated photons can be regarded as a superposition of uncorrelated photons, semiclassical analysis can be applied to this problem. The proposed method is demonstrated for a V-type three-level atom as a nonlinear optical system.
Quantum Molecular Dynamics Simulations of Nanotube Tip Assisted Reactions
NASA Technical Reports Server (NTRS)
Menon, Madhu
1998-01-01
In this report we detail the development and application of an efficient quantum molecular dynamics computational algorithm and its application to the nanotube-tip assisted reactions on silicon and diamond surfaces. The calculations shed interesting insights into the microscopic picture of tip surface interactions.
Quantum Dynamics and a Semiclassical Description of the Photon.
ERIC Educational Resources Information Center
Henderson, Giles
1980-01-01
Uses computer graphics and nonstationary, superposition wave functions to reveal the dynamic quantum trajectories of several molecular and electronic transitions. These methods are then coupled with classical electromagnetic theory to provide a conceptually clear picture of the emission process and emitted radiation localized in time and space.…
Functional treatment of quantum scattering via the dynamical principle
Edouard Berg Manoukian; Seckson Sukkhasena
2007-09-27
A careful functional treatment of quantum scattering is given using Schwinger's dynamical principle which involves a functional differentiation operation applied to a generating functional written in closed form. For long range interactions, such as for the Coulomb one, it is shown that this expression may be used to obtain explicitly the asymptotic "free" modified Green function near the energy shell.
Time-reversal test for stochastic quantum dynamics.
Dowling, Mark R; Drummond, Peter D; Davis, Matthew J; Deuar, Piotr
2005-04-01
The calculation of quantum dynamics is currently a central issue in theoretical physics, with diverse applications ranging from ultracold atomic Bose-Einstein condensates to condensed matter, biology, and even astrophysics. Here we demonstrate a conceptually simple method of determining the regime of validity of stochastic simulations of unitary quantum dynamics by employing a time-reversal test. We apply this test to a simulation of the evolution of a quantum anharmonic oscillator with up to 6.022x10(23) (Avogadro's number) of particles. This system is realizable as a Bose-Einstein condensate in an optical lattice, for which the time-reversal procedure could be implemented experimentally. PMID:15903973
Universal response of quantum systems with chaotic dynamics.
Wisniacki, Diego A; Ares, Natalia; Vergini, Eduardo G
2010-06-25
The prediction of the response of a closed system to external perturbations is one of the central problems in quantum mechanics, and in this respect, the local density of states (LDOS) provides an in-depth description of such a response. The LDOS is the distribution of the overlaps squared connecting the set of eigenfunctions with the perturbed one. Here, we show that in the case of closed systems with classically chaotic dynamics, the LDOS is a Breit-Wigner distribution under very general perturbations of arbitrary high intensity. Consequently, we derive a semiclassical expression for the width of the LDOS which is shown to be very accurate for paradigmatic systems of quantum chaos. This Letter demonstrates the universal response of quantum systems with classically chaotic dynamics. PMID:20867383
Quantum teleportation of dynamics and effective interactions between remote systems.
Muschik, Christine A; Hammerer, Klemens; Polzik, Eugene S; Cirac, Ignacio J
2013-07-12
Most protocols for quantum information processing consist of a series of quantum gates, which are applied sequentially. In contrast, interactions between matter and fields, for example, as well as measurements such as homodyne detection of light are typically continuous in time. We show how the ability to perform quantum operations continuously and deterministically can be leveraged for inducing nonlocal dynamics between two separate parties. We introduce a scheme for the engineering of an interaction between two remote systems and present a protocol that induces a dynamics in one of the parties that is controlled by the other one. Both schemes apply to continuous variable systems, run continuously in time, and are based on real-time feedback. PMID:23889374
A non-dynamical approach for quantum gravity
Pierre A. Mandrin
2015-07-15
By quantising the gravitational dynamics, space and time are usually forced to play fundamentally different roles. This raises the question whether physically relevent configurations could also exist which would not admit space-time-splitting. This has led to the investigation of an approach not based on quantum dynamical assumptions. The assumptions are mainly restricted to a constrained statistical concept of ordered partitions (NDA). For the time being, the continuum description is restricted in order to allow the application of the rules of differential geometry. It is verified that NDA yields equations of the same form as general relativity and quantum field theory for 3+1 dimensions and within the limits of experimental evidence. The derivations are shown in detail. First results are compared to the path integral approach to quantum gravity.
Reaction-Diffusion Processes, Critical Dynamics and Quantum Chains
Francisco C. Alcaraz; Michel Droz; Malte Henkel; Vladimir Rittenberg
1993-02-23
The master equation describing non-equilibrium one-dimensional problems like diffusion limited reactions or critical dynamics of classical spin systems can be written as a Schr\\"odinger equation in which the wave function is the probability distribution and the Hamiltonian is that of a quantum chain with nearest neighbor interactions. Since many one-dimensional quantum chains are integrable, this opens a new field of applications. At the same time physical intuition and probabilistic methods bring new insight into the understanding of the properties of quantum chains. A simple example is the asymmetric diffusion of several species of particles which leads naturally to Hecke algebras and $q$-deformed quantum groups. Many other examples are given. Several relevant technical aspects like critical exponents, correlation functions and finite-size scaling are also discussed in detail.
Effective Dynamics in Bianchi Type II Loop Quantum Cosmology
Alejandro Corichi; Edison Montoya
2012-03-08
We numerically investigate the solutions to the effective equations of the Bianchi II model within the "improved" Loop Quantum Cosmology (LQC) dynamics. The matter source is a massless scalar field. We perform a systematic study of the space of solutions, and focus on the behavior of several geometrical observables. We show that the big-bang singularity is replaced by a bounce and the point-like singularities do not saturate the energy density bound. There are up to three directional bounces in the scale factors, one global bounce in the expansion, the shear presents up to four local maxima and can be zero at the bounce. This allows for solutions with density larger than the maximal density for the isotropic and Bianchi I cases. The asymptotic behavior is shown to behave like that of a Bianchi I model, and the effective solutions connect anisotropic solutions even when the shear is zero at the bounce. All known facts of Bianchi I are reproduced. In the "vacuum limit", solutions are such that almost all the dynamics is due to the anisotropies. Since Bianchi II plays an important role in the Bianchi IX model and the Belinskii, Khalatnikov, Lifshitz (BKL) conjecture, our results can provide an intuitive understanding of the behavior in the vicinity of general space-like singularities, when loop-geometric corrections are present.
Effective dynamics in Bianchi type II loop quantum cosmology
NASA Astrophysics Data System (ADS)
Corichi, Alejandro; Montoya, Edison
2012-05-01
We numerically investigate the solutions to the effective equations of the Bianchi II model within the “improved” loop quantum cosmology dynamics. The matter source is a massless scalar field. We perform a systematic study of the space of solutions, and focus on the behavior of several geometrical observables. We show that the big bang singularity is replaced by a bounce and the pointlike singularities do not saturate the energy density bound. There are up to three directional bounces in the scale factors, one global bounce in the expansion, the shear presents up to four local maxima and can be zero at the bounce. This allows for solutions with density larger than the maximal density for the isotropic and Bianchi I cases. The asymptotic behavior is shown to behave like that of a Bianchi I model, and the effective solutions connect anisotropic solutions even when the shear is zero at the bounce. All known facts of Bianchi I are reproduced. In the “vacuum limit,” solutions are such that almost all the dynamics is due to the anisotropies. Since Bianchi II plays an important role in the Bianchi IX model and the Belinskii, Khalatnikov, Lifshitz conjecture, our results can provide an intuitive understanding of the behavior in the vicinity of general spacelike singularities, when loop-geometric corrections are present.
Quantum dynamics and electronic spectroscopy within the framework of wavelets
NASA Astrophysics Data System (ADS)
Toutounji, Mohamad
2013-03-01
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.
Massively Parallel Reactive and Quantum Molecular Dynamics Simulations
NASA Astrophysics Data System (ADS)
Vashishta, Priya
2015-03-01
In this talk I will discuss two simulations: Cavitation bubbles readily occur in fluids subjected to rapid changes in pressure. We use billion-atom reactive molecular dynamics simulations on a 163,840-processor BlueGene/P supercomputer to investigate chemical and mechanical damages caused by shock-induced collapse of nanobubbles in water near silica surface. Collapse of an empty nanobubble generates high-speed nanojet, resulting in the formation of a pit on the surface. The gas-filled bubbles undergo partial collapse and consequently the damage on the silica surface is mitigated. Quantum molecular dynamics (QMD) simulations are performed on 786,432-processor Blue Gene/Q to study on-demand production of hydrogen gas from water using Al nanoclusters. QMD simulations reveal rapid hydrogen production from water by an Al nanocluster. We find a low activation-barrier mechanism, in which a pair of Lewis acid and base sites on the Aln surface preferentially catalyzes hydrogen production. I will also discuss on-demand production of hydrogen gas from water using and LiAl alloy particles. Research reported in this lecture was carried in collaboration with Rajiv Kalia, Aiichiro Nakano and Ken-ichi Nomura from the University of Southern California, and Fuyuki Shimojo and Kohei Shimamura from Kumamoto University, Japan.
Dynamical quantum phase transitions in the Kitaev honeycomb model
NASA Astrophysics Data System (ADS)
Schmitt, Markus; Kehrein, Stefan
2015-08-01
The notion of a dynamical quantum phase transition (DQPT) was recently introduced [Heyl et al., Phys. Rev. Lett. 110, 135704 (2013), 10.1103/PhysRevLett.110.135704] as the nonanalytic behavior of the Loschmidt echo at critical times in the thermodynamic limit. In this work the quench dynamics in the ground state sector of the two-dimensional Kitaev honeycomb model is studied regarding the occurrence of DQPTs. For general two-dimensional systems of BCS type it is demonstrated how the zeros of the Loschmidt echo coalesce to areas in the thermodynamic limit, implying that DQPTs occur as discontinuities in the second derivative. In the Kitaev honeycomb model DQPTs appear after quenches across a phase boundary or within the massless phase. In the 1d limit of the Kitaev honeycomb model it becomes clear that the discontinuity in the higher derivative is intimately related to the higher dimensionality of the nondegenerate model. Moreover, there is a strong connection between the stationary value of the rate function of the Loschmidt echo after long times and the occurrence of DQPTs in this model.
Quantum Gowdy model within the new loop quantum cosmology improved dynamics
NASA Astrophysics Data System (ADS)
Martín-Benito, M.; Garay, L. J.; Mena Marugán, G. A.
2011-09-01
The linearly polarized Gowdy T3 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.
Recovering classical dynamics from coupled quantum systems through continuous measurement
Shohini Ghose; Paul M. Alsing; Ivan H. Deutsch; Tanmoy Bhattacharya; Salman Habib; Kurt Jacobs
2003-06-10
We study the role of continuous measurement in the quantum to classical transition for a system with coupled internal (spin) and external (motional) degrees of freedom. Even when the measured motional degree of freedom can be treated classically, entanglement between spin and motion causes strong measurement backaction on the quantum spin subsystem so that classical trajectories are not recovered in this mixed quantum-classical regime. The measurement can extract localized quantum trajectories that behave classically only when the internal action also becomes large relative to h-bar.
Recovering classical dynamics from coupled quantum systems through continuous measurement
Ghose, Shohini; Alsing, Paul; Deutsch, Ivan; Bhattacharya, Tanmoy; Habib, Salman; Jacobs, Kurt
2003-05-01
We study the role of continuous measurement in the quantum to classical transition for a system with coupled internal (spin) and external (motional) degrees of freedom. Even when the measured motional degree of freedom can be treated classically, entanglement between spin and motion causes strong measurement back action on the quantum spin subsystem so that classical trajectories are not recovered in this mixed quantum-classical regime. The measurement can extract localized quantum trajectories that behave classically only when the internal action also becomes large relative to ({Dirac_h}/2{pi})
Recovering classical dynamics from coupled quantum systems through continuous measurement
Ghose, S; Deutsch, I H; Bhattacharya, T; Habib, S; Jacobs, K; Ghose, Shohini; Alsing, Paul M.; Deutsch, Ivan H.; Bhattacharya, Tanmoy; Habib, Salman; Jacobs, Kurt
2003-01-01
We study the role of continuous measurement in the quantum to classical transition for a system with coupled internal (spin) and external (motional) degrees of freedom. Even when the measured motional degree of freedom can be treated classically, entanglement between spin and motion causes strong measurement backaction on the quantum spin subsystem so that classical trajectories are not recovered in this mixed quantum-classical regime. The measurement can extract localized quantum trajectories that behave classically only when the internal action also becomes large relative to h-bar.
Simulation of Quantum Dynamics Based on the Quantum Stochastic Differential Equation
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. PMID:23781156
Simulation of quantum dynamics based on the quantum stochastic differential equation.
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. PMID:23781156
Symmetry and dynamics universality of supermetal in quantum chaos
Ping Fang; Chushun Tian; Jiao Wang
2015-10-05
Chaotic systems exhibit rich quantum dynamical behaviors ranging from normal diffusion to ballistic motion. The former mimics electron motion in an impure crystal with finite conductivity ('metal') while the latter a perfect crystal with diverging conductivity ('supermetal'). We analytically find and numerically confirm that, for a large class of chaotic systems, the metal-supermetal dynamics crossover is universal and determined only by the system's symmetry. Furthermore, we show that the universality of this dynamics crossover is identical to that of eigenfunction and spectral fluctuations described by the random matrix theory.
Criticality of environmental information obtainable by dynamically controlled quantum probes
Analia Zwick; Gonzalo A. Alvarez; Gershon Kurizki
2015-09-22
A universal approach to decoherence control combined with quantum estimation theory reveals a critical behavior, akin to a phase transition, of the information obtainable by a qubit probe concerning the memory time of environmental fluctuations. This criticality emerges only when the probe is subject to dynamical control. It gives rise to a sharp transition between two dynamical phases characterized by either a short or long memory time compared to the probing time. This phase-transition of the environmental information is a fundamental feature that facilitates the attainment of the highest estimation precision of the environment memory-time and the characterization of probe dynamics.
Quantum Signatures of Solar System Dynamics
Arkady L. Kholodenko
2008-10-17
Let w(i) be a period of rotation of the i-th planet around the Sun (or w(j;i) be a period of rotation of j-th satellite around the i-th planet). From empirical observations it is known that the sum of n(i)w(i)=0 (or the sum of n(j)w(j;i)=0) for some integers n(i) (or n(j)), different for different satellite systems. These conditions, known as resonance conditions, make uses of theories such as KAM difficult to implement. The resonances in Solar System are similar to those encountered in old quantum mechanics where applications of methods of celestial mechanics to atomic and molecular physics were highly sucsessful. With such a success, the birth of new quantum mechanics is difficult to understand. In short, the rationale for its birth lies in simplicity with which the same type of calculations are done using new methods capable of taking care of resonances. The solution of quantization puzzle was found by Heisenberg. In this paper new uses of Heisenberg's ideas are found. When superimposed with the equivalence principle of general relativity, they lead to quantum mechanical tratment of observed resonances in Solar System. To test correctness of our theoretical predictions the number of allowed stable orbits for planets and for equatorial stable orbits of satellites of heavy planets is calculated resulting in good agreement with observational data. In addition, the paper briefly discusses quantum mechanical nature of rings of heavy planets and potential usefulness of the obtained results for cosmology.
Relaxation and coherent oscillations in the spin dynamics of II-VI diluted magnetic quantum wells
NASA Astrophysics Data System (ADS)
Ungar, F.; Cygorek, M.; Tamborenea, P. I.; Axt, V. M.
2015-10-01
We study theoretically the ultrafast spin dynamics of II-VI diluted magnetic quantum wells in the presence of spin-orbit interaction. We extend a recent study where it was shown that the spin-orbit interaction and the exchange sd coupling in bulk and quantum wells can compete resulting in qualitatively new dynamics when they act simultaneously. We concentrate on Hg1-x-yMnxCdyTe quantum wells, which have a highly tunable Rashba spin-orbit coupling. Our calculations use a recently developed formalism which incorporates electronic correlations originating from the exchange sd-coupling. We find that the dependence of electronic spin oscillations on the excess energy changes qualitatively depending on whether or not the spin-orbit interaction dominates or is of comparable strength with the sd interaction.
Brown, R C; Wyllie, R; Koller, S B; Goldschmidt, E A; Foss-Feig, M; Porto, J V
2015-05-01
The interplay of magnetic exchange interactions and tunneling underlies many complex quantum phenomena observed in real materials. We study nonequilibrium magnetization dynamics in an extended two-dimensional (2D) system by loading effective spin-1/2 bosons into a spin-dependent optical lattice and use the lattice to separately control the resonance conditions for tunneling and superexchange. After preparing a nonequilibrium antiferromagnetically ordered state, we observe relaxation dynamics governed by two well-separated rates, which scale with the parameters associated with superexchange and tunneling. With tunneling off-resonantly suppressed, we observe superexchange-dominated dynamics over two orders of magnitude in magnetic coupling strength. Our experiment will serve as a benchmark for future theoretical work as the detailed dynamics of this 2D, strongly correlated, and far-from-equilibrium quantum system remain out of reach of current computational techniques. PMID:25931552
Quantum vortex dynamics in two-dimensional neutral superfluids
Wang, C.-C. Joseph; Duine, R. A.; MacDonald, A. H.
2010-01-15
We derive an effective action for the vortex-position degree of freedom in a superfluid by integrating out condensate phase- and density-fluctuation environmental modes. When the quantum dynamics of environmental fluctuations is neglected, we confirm the occurrence of the vortex Magnus force and obtain an expression for the vortex mass. We find that this adiabatic approximation is valid only when the superfluid droplet radius R, or the typical distance between vortices, is very much larger than the coherence length xi. We go beyond the adiabatic approximation numerically, accounting for the quantum dynamics of environmental modes and capturing their dissipative coupling to condensate dynamics. For the case of an optical-lattice superfluid, we demonstrate that vortex motion damping can be adjusted by tuning the ratio between the tunneling energy J and the on-site interaction energy U. We comment on the possibility of realizing vortex-Landau-level physics.
On model reduction for quantum dynamics: symmetries and invariant subspaces
Akshat Kumar; Mohan Sarovar
2014-12-12
Simulation of quantum dynamics is a grand challenge of computational physics. In this work we investigate methods for reducing the demands of such simulation by identifying reduced-order models for dynamics generated by parameterized quantum Hamiltonians. In particular, we first formulate an algebraic condition that certifies the existence of invariant subspaces for a model defined by a parameterized Hamiltonian and an initial state. Following this we develop and analyze two methods to explicitly construct a reduced-order model, if one exists. In addition to general results characterizing invariant subspaces of arbitrary finite dimensional Hamiltonians, by exploiting properties of the generalized Pauli group we develop practical tools to speed up simulation of dynamics generated by certain spin Hamiltonians. To illustrate the methods developed we apply them to several paradigmatic spin models.
Quantum-classical dynamics of nonadiabatic chemical reactions
NASA Astrophysics Data System (ADS)
Sergi, Alessandro; Kapral, Raymond
2003-05-01
A reactive flux correlation function formalism for the calculation of rate constants for mixed quantum-classical systems undergoing nonadiabatic dynamics is presented. The linear response formalism accounts for the stationarity of the equilibrium density under quantum-classical dynamics and expresses the rate constant in terms of an ensemble of surface-hopping trajectories. Calculations are carried out on a model two-level system coupled to a nonlinear oscillator which is in turn coupled to a harmonic heat bath. Relevant microscopic species variables for this system include two stable states, corresponding to the ground state adiabatic surface, as well as another species corresponding to the excited state surface. The time-dependent rate constants for the model are evaluated in the adiabatic limit, where the dynamics is confined to the ground Born-Oppenheimer surface, and these results are compared with calculations that account for nonadiabatic transitions among the system states.
NASA Technical Reports Server (NTRS)
Xiong, Fugin
2003-01-01
One half of Professor Xiong's effort will investigate robust timing synchronization schemes for dynamically varying characteristics of aviation communication channels. The other half of his time will focus on efficient modulation and coding study for the emerging quantum communications.
NASA Astrophysics Data System (ADS)
Billeter, Salomon R.; Webb, Simon P.; Iordanov, Tzvetelin; Agarwal, Pratul K.; Hammes-Schiffer, Sharon
2001-04-01
A hybrid approach for simulating proton and hydride transfer reactions in enzymes is presented. The electronic quantum effects are incorporated with an empirical valence bond approach. The nuclear quantum effects of the transferring hydrogen are included with a mixed quantum/classical molecular dynamics method in which the hydrogen nucleus is described as a multidimensional vibrational wave function. The free energy profiles are obtained as functions of a collective reaction coordinate. A perturbation formula is derived to incorporate the vibrationally adiabatic nuclear quantum effects into the free energy profiles. The dynamical effects are studied with the molecular dynamics with quantum transitions (MDQT) surface hopping method, which incorporates nonadiabatic transitions among the adiabatic hydrogen vibrational states. The MDQT method is combined with a reactive flux approach to calculate the transmission coefficient and to investigate the real-time dynamics of reactive trajectories. This hybrid approach includes nuclear quantum effects such as zero point energy, hydrogen tunneling, and excited vibrational states, as well as the dynamics of the complete enzyme and solvent. The nuclear quantum effects are incorporated during the generation of the free energy profiles and dynamical trajectories rather than subsequently added as corrections. Moreover, this methodology provides detailed mechanistic information at the molecular level and allows the calculation of rates and kinetic isotope effects. An initial application of this approach to the enzyme liver alcohol dehydrogenase is also presented.
Symmetry and dynamics universality of supermetal in quantum chaos
Ping Fang; Chushun Tian; Jiao Wang
2015-12-30
Chaotic systems exhibit rich quantum dynamical behaviors ranging from dynamical localization to normal diffusion to ballistic motion. Dynamical localization and normal diffusion simulate electron motion in an impure crystal with a vanishing and finite conductivity, i.e., an "Anderson insulator" and a "metal", respectively. Ballistic motion simulates a perfect crystal with diverging conductivity, i.e., a "supermetal". We analytically find and numerically confirm that, for a large class of chaotic systems, the metal-supermetal dynamics crossover occurs and is universal, determined only by the system's symmetry. Furthermore, we show that the universality of this dynamics crossover is identical to that of eigenfunction and spectral fluctuations described by the random matrix theory.
Quantum unitary dynamics in cosmological spacetimes
NASA Astrophysics Data System (ADS)
Cortez, Jerónimo; Mena Marugán, Guillermo A.; Velhinho, José M.
2015-12-01
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.
NASA Astrophysics Data System (ADS)
Glezakou, V. A.; McGrail, P.; Dang, L. X.
2009-12-01
Because of the rapidly increasing interest in technologies for capturing and permanently sequestering CO2 as part of a climate change mitigation strategy, understanding the interaction of CO2 with materials that comprise a sequestration system (steels, cements, silicate minerals, etc.) is of fundamental importance. The majority of models for corrosion of metals involve water-mediated processes, with CO2 dissolved in the aqueous phase playing a minor role in the process. In contrast, recent experiments with mild steels have shown that much greater corrosivity actually occurs in the dense CO2 phase, provided sufficient molecular water is present in the CO2 phase to catalyse certain reactions. In our study, we use DFT-based dynamics to study the internal structure of the the super-critical CO2/(H2O)n system, with n=0-4. While water does not disturb the super-critical CO2 phase, it also gives rise to short-lived CO2...H2O bonds which are likely to facilitate the activation of CO2 on the surface, but otherwise maintains its molecular form. We also use DFT methods to probe the fundamental interactions of CO2 or SO2 and H2O with clean or doped iron surfaces and determine the reactive pathways that lead to CO2 chemisorption, dissociation and further formation of corrosion products in the form of carbonates or sulfites. DFT-based molecular dynamics are employed to sample the configurational space of reactants and products more efficiently. CO2 adsorbs readily on the surface assuming a bent geometry, indicative of charge transfer from the surface to CO2, which closely resembles a CO2- moiety. Once CO2 is adsorbed, it can decompose to adsorbed O+CO, which further reacts with CO2 or SO2 to form corrosion products. Molecularly adsorbed water acts as catalyst to lower these reaction barriers. Clearly, the reactive pathways on the surface are quite different than those in aqueous solution. Battelle operates Pacific Northwest National Laboratory for the US Department of Energy.
Carrier dynamics and homogeneous broadening in quantum dot waveguides
NASA Astrophysics Data System (ADS)
Silverman, Kevin L.; Mirin, Richard P.; Cundiff, Steven T.; Klein, Benjamin
2005-04-01
Coupling between InGaAs/GaAs quantum dots is investigated using differential transmission spectroscopy. Degenerate measurements show an initial carrier relaxation time that is relatively independent of carrier density. Two-color pump-probe techniques are used to spectrally resolve the carrier dynamics, revealing transfer between quantum dots and a homogeneous linewidth of 12 nm at room temperature. The time constant for carrier escape is shown to increase from 35 ps at room temperature to 130 ps at 230 K. We then employ a rate equation model to simulate the performance of a semiconductor optical amplifier with QDs as the active region.
Long-time correlated quantum dynamics of phonon cooling
NASA Astrophysics Data System (ADS)
Carlig, Sergiu; Macovei, Mihai A.
2014-07-01
We investigate the steady-state cooling dynamics of vibrational degrees of freedom related to a nanomechanical oscillator coupled with a laser-pumped quantum dot in an optical resonator. Correlations between phonon-cooling and quantum-dot photon emission processes occur, respectively, when a photon laser absorption together with a vibrational phonon absorption is followed by photon emission in the optical resonator. Therefore, the detection of photons generated in the cavity mode concomitantly contributes to phonon cooling detection of the nanomechanical resonator.
Dynamical decoupling leads to improved scaling in noisy quantum metrology
P. Sekatski; M. Skotiniotis; W. Dür
2015-12-23
We consider the usage of dynamical decoupling in quantum metrology, where the joint evolution of system plus environment is described by a Hamiltonian. We demonstrate that by ultra-fast unitary control operations acting locally only on system qubits, essentially all kinds of noise can be eliminated. This is done in such a way that the desired evolution is reduced by at most a constant factor, leading to Heisenberg scaling. The only exception is noise that is generated by the Hamiltonian to be estimated itself. However, even for such parallel noise, one can achieve an improved scaling as compared to the standard quantum limit for any local noise by means of symmetrization.
Direct characterization of quantum dynamics with noisy ancilla
NASA Astrophysics Data System (ADS)
Dumitrescu, Eugene; Humble, Travis S.
2015-11-01
We present methods for the direct characterization of quantum dynamics in which both the principal and ancilla systems undergo noisy processes. Using a concatenated error detection code, we discriminate between located and unlocated errors on the principal system in what amounts to filtering of ancilla noise. The example of composite noise involving amplitude damping and depolarizing channels is used to demonstrate the method, while we find the rate of noise filtering is more generally dependent on code distance. Our results indicate the accuracy of quantum process characterization can be greatly improved while remaining within reach of current experimental capabilities.
Quantum effects in the dynamics of deeply supercooled water.
Agapov, A L; Kolesnikov, A I; Novikov, V N; Richert, R; Sokolov, A P
2015-02-01
Despite its simple chemical structure, water remains one of the most puzzling liquids with many anomalies at low temperatures. Combining neutron scattering and dielectric relaxation spectroscopy, we show that quantum fluctuations are not negligible in deeply supercooled water. Our dielectric measurements reveal the anomalously weak temperature dependence of structural relaxation in vapor-deposited water close to the glass transition temperature T(g)?136K. We demonstrate that this anomalous behavior can be explained well by quantum effects. These results have significant implications for our understanding of water dynamics. PMID:25768510
Hierarchy of Stochastic Pure States for Open Quantum System Dynamics
NASA Astrophysics Data System (ADS)
Suess, D.; Eisfeld, A.; Strunz, W. T.
2014-10-01
We derive a hierarchy of stochastic evolution equations for pure states (quantum trajectories) for open quantum system dynamics with non-Markovian structured environments. This hierarchy of pure states (HOPS) is generally applicable and provides the exact reduced density operator as an ensemble average over normalized states. The corresponding nonlinear equations are presented. We demonstrate that HOPS provides an efficient theoretical tool and apply it to the spin-boson model, the calculation of absorption spectra of molecular aggregates, and energy transfer in a photosynthetic pigment-protein complex.
Direct Characterization of Quantum Dynamics with Noisy Ancilla
Eugene Dumitrescu; Travis S. Humble
2015-08-12
We present methods for the direct characterization of quantum dynamics (DCQD) in which both the principal and ancilla systems undergo noisy processes. Using a concatenated error detection code, we discriminate between located and unlocated errors on the principal system in what amounts to filtering of ancilla noise. The example of composite noise involving amplitude damping and depolarizing channels is used to demonstrate the method, while we find the rate of noise filtering is more generally dependent on code distance. Our results indicate the accuracy of quantum process characterization can be greatly improved while remaining within reach of current experimental capabilities.
NASA Astrophysics Data System (ADS)
Viola, Lorenza; Tannor, David
2011-08-01
Precisely characterizing and controlling the dynamics of realistic open quantum systems has emerged in recent years as a key challenge across contemporary quantum sciences and technologies, with implications ranging from physics, chemistry and applied mathematics to quantum information processing (QIP) and quantum engineering. Quantum control theory aims to provide both a general dynamical-system framework and a constructive toolbox to meet this challenge. The purpose of this special issue of Journal of Physics B: Atomic, Molecular and Optical Physics is to present a state-of-the-art account of recent advances and current trends in the field, as reflected in two international meetings that were held on the subject over the last summer and which motivated in part the compilation of this volume—the Topical Group: Frontiers in Open Quantum Systems and Quantum Control Theory, held at the Institute for Theoretical Atomic, Molecular and Optical Physics (ITAMP) in Cambridge, Massachusetts (USA), from 1-14 August 2010, and the Safed Workshop on Quantum Decoherence and Thermodynamics Control, held in Safed (Israel), from 22-27 August 2010. Initial developments in quantum control theory date back to (at least) the early 1980s, and have been largely inspired by the well-established mathematical framework for classical dynamical systems. As the above-mentioned meetings made clear, and as the burgeoning body of literature on the subject testifies, quantum control has grown since then well beyond its original boundaries, and has by now evolved into a highly cross-disciplinary field which, while still fast-moving, is also entering a new phase of maturity, sophistication, and integration. Two trends deserve special attention: on the one hand, a growing emphasis on control tasks and methodologies that are specifically motivated by QIP, in addition and in parallel to applications in more traditional areas where quantum coherence is nevertheless vital (such as, for instance, quantum control of chemical reactions or high-resolution magnetic resonance spectroscopy); on the other hand, an unprecedented demand for close coupling between theory and experiment, with theoretical developments becoming more and more attuned to and driven by experimental advances as different quantum technologies continue to evolve at an impressive pace in the laboratory. Altogether, these two trends account for several of the recurrent themes in this volume, as well as in the current quantum control literature as a whole: namely, the quest for control strategies that can attain the highest degree of precision and robustness possible, while striving for efficiency and, ultimately, optimality in achieving the intended control task under realistic operational constraints. From a theory standpoint, this makes it imperative to take into account increasingly more realistic control settings; to assess the quantitative impact of limited control resources and/or system knowledge; and to provide a rigorous and general foundation for existing experimental approaches in order to further enhance applicability and performance. From an experimental standpoint, renewed emphasis is in turn placed on validating theoretical predictions and benchmarking performance, so that the limiting constraints can be singled out for additional theoretical analysis and guidance. This ongoing cross-talk is clearly reflected in this collection, which brings together theoreticians and experimentalists, with a significant fraction of the papers reporting on combined quantum control theory-experiment efforts. While a precise categorization would neither be possible nor desirable, contributions to this volume have been loosely grouped into five broad sections. This grouping has been made in the hope that connections between different problems and/or technical approaches will become more transparent, facilitating the transfer of concepts and methods. The special issue opens with a section devoted to open-loop control methods, with special emphasis on dynamical decoupling (DD), which is becoming an incr
The dynamic foundation of quantum mechanics
NASA Astrophysics Data System (ADS)
Lee, V. J.
2006-05-01
Quantum mechanics has been reinvented via mathematical incarnation of Newton's 2^nd law in word for particle motion with an almost nowhere differentiable path. At almost every radius vectorx, the particle has a velocity u in time forward and u in reversal. We formulate thatu=un+ub. The assumed stochastic radiation in vacuum causes that?xi?xj=?ij2D?t??ij( / m . - m )?t. That[ ( / t . - t )+un.?-iub.?-i( / 2m . - 2m )?^2 ]( pn-ipb )=Kn-iKo emerges as the 2^nd law; where Knis an even function of time and Koodd. Employing this law, we derive the Schr"odinger equation with the paradigm,( -i?-qA )?=( pn-ipb )?, in pediatrician terms. Those ?^2?( xj )=0 specifyxj's, wherepb'sare exactly defined. For the caseA?0, there are two pure cases: (a) pbonly; (b) pnonly. Miscategorization ofpbaspnin quantum theory status quo is revealed in (a). Energy is numerically computed atxj's, which explain atomic stability. Thatpn.d=nh is the law of transmission of pn through crystal planes, is derived in (b). Summary also on web: http://mysite.verizon.net/vjtlee/
A Separable, Dynamically Local Ontological Model of Quantum Mechanics
NASA Astrophysics Data System (ADS)
Pienaar, Jacques
2015-10-01
A model of reality is called separable if the state of a composite system is equal to the union of the states of its parts, located in different regions of space. Spekkens has argued that it is trivial to reproduce the predictions of quantum mechanics using a separable ontological model, provided one allows for arbitrary violations of `dynamical locality'. However, since dynamical locality is strictly weaker than local causality, this leaves open the question of whether an ontological model for quantum mechanics can be both separable and dynamically local. We answer this question in the affirmative, using an ontological model based on previous work by Deutsch and Hayden. Although the original formulation of the model avoids Bell's theorem by denying that measurements result in single, definite outcomes, we show that the model can alternatively be cast in the framework of ontological models, where Bell's theorem does apply. We find that the resulting model violates local causality, but satisfies both separability and dynamical locality, making it a candidate for the `most local' ontological model of quantum mechanics.
NASA Astrophysics Data System (ADS)
Vinnichenko, Maxim Ya.; Vorobjev, Leonid E.; Firsov, Dmitry A.; Mashko, Marina O.; Sofronov, Anton N.; Shterengas, Leon; Belenky, Gregory
2013-12-01
Time dynamics of photoluminescence intensity was studied in InGaAsSb/AlGaAsSb quantum wells with different compositions of the barrier solid solution and with different width of the quantum wells. The time of charge carrier capture in quantum wells, the energy relaxation times, lifetime related to resonant Auger recombination were estimated.
Non-Markovian dynamics of double quantum dot charge qubits due to acoustic phonons
NASA Astrophysics Data System (ADS)
Thorwart, M.; Eckel, J.; Mucciolo, E. R.
2005-12-01
We investigate the dynamics of a double quantum dot charge qubit which is coupled to piezoelectric acoustic phonons, appropriate for GaAs heterostructures. At low temperatures, the phonon bath induces the non-Markovian dynamical behavior of the oscillations between the two charge states of the double quantum dot. Upon applying the numerically exact quasiadiabatic propagator path-integral scheme, the reduced density matrix of the charge qubit is calculated, thereby avoiding the Born-Markov approximation. This allows a systematic study of the dependence of the Q factor on the lattice temperature, on the size of the quantum dots, as well as on the interdot coupling. We calculate the Q factor for a recently realized experimental setup and find that it is two orders of magnitudes larger than the measured value, indicating that the decoherence due to phonons is a subordinate mechanism.
Quantum dissipative dynamics of two-level atoms in hyperbolic metamaterials
NASA Astrophysics Data System (ADS)
Cortes, Cristian; Jacob, Zubin
2015-05-01
Hyperbolic metamaterials (HMMs) represent a class of artificial nanostructured media that have garnered a lot of attention over the past few years due their broadband singularity in the photonic density of states. This unique property has led to many research directions ranging from subwavelength light manipulation to the control of radiative decay rates of quantum emitters in HMMs. Here, we apply a second quantization approach first developed by H. Dekker (1975), to study the quantum dissipative dynamics of a two-level atom coupled to a hyperbolic medium. The Dekker quantization approach provides a framework that allows for non-Hermitian Hamiltonians whose imaginary part represents the dissipation of the quantum system. We calculate the resonance fluorescence spectrum and steady-state dynamics of a two-level atom in an HMM. Our results take into account non-idealities of the medium such as loss and finite unit-cell size and should be experimentally observable using current nanofabrication technology.
Hermitian non-Markovian stochastic master equations for quantum dissipative dynamics
NASA Astrophysics Data System (ADS)
Yan, Yun-An; Zhou, Yun
2015-08-01
It remains a challenge for theory to simulate nonperturbative and non-Markovian quantum dissipative dynamics at low temperatures. In this study we suggest a Hermitian non-Markovian stochastic master equation suitable for dissipative dynamics at arbitrary temperatures. The memory effect of the bath is embedded within two real correlated Gaussian noises. This scheme is numerically verified by the hierarchical equation of motion and symmetry preserving for a symmetric two-level system. An exemplary application is carried out for the dynamics over a broad range of temperatures to investigate the temperature dependence of the Rabi frequency shift and the non-Markovianity.
Mixed quantum-classical dynamics for charge transport in organics.
Wang, Linjun; Prezhdo, Oleg V; Beljonne, David
2015-05-21
Charge transport plays a crucial role in the working principle of most opto-electronic and energy devices. This is especially true for organic materials where the first theoretical models date back to the 1950s and have continuously evolved ever since. Most of these descriptions rely on perturbation theory to treat small interactions in the Hamiltonian. In particular, applying a perturbative treatment to the electron-phonon and electron-electron coupling results in the band and hopping models, respectively, the signature of which is conveyed by a characteristic temperature dependence of mobility. This perspective describes recent progress of studying charge transport in organics using mixed quantum-classical dynamics techniques, including mean field and surface hopping theories. The studies go beyond the perturbation treatments and represent the processes explicitly in the time-domain, as they occur in real life. The challenges, advantages, and disadvantages of both approaches are systematically discussed. Special focus is dedicated to the temperature dependence of mobility, the role of local and nonlocal electron-phonon couplings, as well as the interplay between electronic and electron-phonon interactions. PMID:25772795
Open quantum system parameters from molecular dynamics
Wang, Xiaoqing; Wüster, Sebastian; Eisfeld, Alexander
2015-01-01
We extract the site energies and spectral densities of the Fenna-Matthews-Olson (FMO) pigment protein complex of green sulphur bacteria from simulations of molecular dynamics combined with energy gap calculations. Comparing four different combinations of methods, we investigate the origin of quantitative differences regarding site energies and spectral densities obtained previously in the literature. We find that different forcefields for molecular dynamics and varying local energy minima found by the structure relaxation yield significantly different results. Nevertheless, a picture averaged over these variations is in good agreement with experiments and some other theory results. Throughout, we discuss how vibrations external- or internal to the pigment molecules enter the extracted quantities differently and can be distinguished. Our results offer some guidance to set up more computationally intensive calculations for a precise determination of spectral densities in the future. These are required to determ...
Andreev reflection, a tool to investigate vortex dynamics and quantum turbulence in 3He-B
Fisher, Shaun Neil; Jackson, Martin James; Sergeev, Yuri A.; Tsepelin, Viktor
2014-01-01
Andreev reflection of quasiparticle excitations provides a sensitive and passive probe of flow in superfluid 3He-B. It is particularly useful for studying complex flows generated by vortex rings and vortex tangles (quantum turbulence). We describe the reflection process and discuss the results of numerical simulations of Andreev reflection from vortex rings and from quantum turbulence. We present measurements of vortices generated by a vibrating grid resonator at very low temperatures. The Andreev reflection is measured using an array of vibrating wire sensors. At low grid velocities, ballistic vortex rings are produced. At higher grid velocities, the rings collide and reconnect to produce quantum turbulence. We discuss spatial correlations of the fluctuating vortex signals measured by the different sensor wires. These reveal detailed information about the formation of quantum turbulence and about the underlying vortex dynamics. PMID:24704872
Partial dynamical symmetries in quantum systems
A. Leviatan
2011-12-22
We discuss the the notion of a partial dynamical symmetry (PDS), for which a prescribed symmetry is obeyed by only a subset of solvable eigenstates, while other eigenstates are strongly mixed. We present an explicit construction of Hamiltonians with this property, including higher-order terms, and portray their significance for spectroscopy and shape-phase transitions in nuclei. The occurrence of both a single PDS, relevant to stable structures, and of several PDSs, relevant to coexistence phenomena, are considered.
Teixidor, Marc Moix; Varandas, António J C
2015-01-01
Quantum scattering calculations of the O((3)P)+OH((2)?)?O2((3)?g (-))+H((2)S) reactions are presented using the combined-hyperbolic-inverse-power-representation potential energy surface [A. J. C. Varandas, J. Chem. Phys. 138, 134117 (2013)], which employs a realistic, ab initio-based, description of both the valence and long-range interactions. The calculations have been performed with the ABC time-independent quantum reactive scattering computer program based on hyperspherical coordinates. The reactivity of both arrangements has been investigated, with particular attention paid to the effects of vibrational excitation. By using the J-shifting approximation, rate constants are also reported for both the title reactions. PMID:25573563
NASA Astrophysics Data System (ADS)
Teixidor, Marc Moix; Varandas, António J. C.
2015-01-01
Quantum scattering calculations of the O ( 3 P ) + OH ( 2 ? ) ? O 2 ( 3 ?g - ) + H ( 2 S ) reactions are presented using the combined-hyperbolic-inverse-power-representation potential energy surface [A. J. C. Varandas, J. Chem. Phys. 138, 134117 (2013)], which employs a realistic, ab initio-based, description of both the valence and long-range interactions. The calculations have been performed with the ABC time-independent quantum reactive scattering computer program based on hyperspherical coordinates. The reactivity of both arrangements has been investigated, with particular attention paid to the effects of vibrational excitation. By using the J-shifting approximation, rate constants are also reported for both the title reactions.
Teixidor, Marc Moix; Varandas, António J. C.
2015-01-07
Quantum scattering calculations of the O({sup 3}P)+OH({sup 2}?)?O{sub 2}({sup 3}?{sub g}{sup ?})+H({sup 2}S) reactions are presented using the combined-hyperbolic-inverse-power-representation potential energy surface [A. J. C. Varandas, J. Chem. Phys. 138, 134117 (2013)], which employs a realistic, ab initio-based, description of both the valence and long-range interactions. The calculations have been performed with the ABC time-independent quantum reactive scattering computer program based on hyperspherical coordinates. The reactivity of both arrangements has been investigated, with particular attention paid to the effects of vibrational excitation. By using the J-shifting approximation, rate constants are also reported for both the title reactions.
Coupled-Channels Approach for Dissipative Quantum Dynamics in Near-Barrier Collisions
Diaz-Torres, A.; Hinde, D. J.; Dasgupta, M.; Milburn, G. J.; Tostevin, J. A.
2009-03-04
A novel quantum dynamical model based on the dissipative quantum dynamics of open quantum systems is presented. It allows the treatment of both deep-inelastic processes and quantum tunneling (fusion) within a fully quantum mechanical coupled-channels approach. Model calculations show the transition from pure state (coherent) to mixed state (decoherent and dissipative) dynamics during a near-barrier nuclear collision. Energy dissipation, due to irreversible decay of giant-dipole excitations of the interacting nuclei, results in hindrance of quantum tunneling.
Quantum simulations of dissipative dynamics: Time dependence instead of size
NASA Astrophysics Data System (ADS)
Dive, Benjamin; Mintert, Florian; Burgarth, Daniel
2015-09-01
The simulation of quantum systems has been a key aim of quantum technologies for decades, and generalization to open systems is necessary to include physically realistic systems. We introduce an approach for quantum simulations of open system dynamics in terms of an environment of minimal size and a time-dependent Hamiltonian. This enables the implementation of a continuous-time simulation with a finite environment, whereas state-of-the-art methods require an infinite environment or only match the simulation at discrete times. We find the necessary and sufficient conditions for this Hamiltonian to be well behaved, and when these are not met, we show that there exists an approximate Hamiltonian that is well behaved and look into its applications.
Loop quantum cosmology: From pre-inflationary dynamics to observations
Ashtekar, Abhay
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.
Dynamical Horizon Entropy Bound Conjecture in Loop Quantum Cosmology
NASA Astrophysics Data System (ADS)
Li, Li-Fang; Zhu, Jian-Yang
2012-07-01
The covariant entropy bound conjecture is an important hint for the quantum gravity, with several versions available in the literature. For cosmology, Ashtekar and Wilson-Ewing ever show the consistence between the loop gravity theory and one version of this conjecture. Recently, He and Zhang [J. High Energy Phys. 10 (2007) 077] proposed a version for the dynamical horizon of the universe, which validates the entropy bound conjecture for the cosmology filled with perfect fluid in the classical scenario when the universe is far away from the big bang singularity. However, their conjecture breaks down near big bang region. We examine this conjecture in the context of the loop quantum cosmology. With the example of photon gas, this conjecture is protected by the quantum geometry effects as expected.
Loop quantum cosmology: from pre-inflationary dynamics to observations
NASA Astrophysics Data System (ADS)
Ashtekar, Abhay; Barrau, Aurélien
2015-12-01
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.
Loop quantum cosmology: From pre-inflationary dynamics to observations
Abhay Ashtekar; Aurelien Barrau
2015-09-30
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.
NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER
DeMille, David; LeHur, Karyn
2013-11-27
Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.
Current-driven spin dynamics of artificially constructed quantum magnets.
Khajetoorians, Alexander Ako; Baxevanis, Benjamin; Hübner, Christoph; Schlenk, Tobias; Krause, Stefan; Wehling, Tim Oliver; Lounis, Samir; Lichtenstein, Alexander; Pfannkuche, Daniela; Wiebe, Jens; Wiesendanger, Roland
2013-01-01
The future of nanoscale spin-based technologies hinges on a fundamental understanding and dynamic control of atomic-scale magnets. The role of the substrate conduction electrons on the dynamics of supported atomic magnets is still a question of interest lacking experimental insight. We characterized the temperature-dependent dynamical response of artificially constructed magnets, composed of a few exchange-coupled atomic spins adsorbed on a metallic substrate, to spin-polarized currents driven and read out by a magnetic scanning tunneling microscope tip. The dynamics, reflected by two-state spin noise, is quantified by a model that considers the interplay between quantum tunneling and sequential spin transitions driven by electron spin-flip processes and accounts for an observed spin-transfer torque effect. PMID:23288534
Extended space expectation values in quantum dynamical system evolutions
Demiralp, Metin
2014-10-06
The time variant power series expansion for the expectation value of a given quantum dynamical operator is well-known and well-investigated issue in quantum dynamics. However, depending on the operator and Hamiltonian singularities this expansion either may not exist or may not converge for all time instances except the beginning of the evolution. This work focuses on this issue and seeks certain cures for the negativities. We work in the extended space obtained by adding all images of the initial wave function under the system Hamiltonian’s positive integer powers. This requires the introduction of certain appropriately defined weight operators. The resulting better convergence in the temporal power series urges us to call the new defined entities “extended space expectation values” even though they are constructed over certain weight operators and are somehow pseudo expectation values.
Dynamics, synchronization, and quantum phase transitions of two dissipative spins
Orth, Peter P.; Le Hur, Karyn; Roosen, David; Hofstetter, Walter
2010-10-01
We analyze the static and dynamic properties of two Ising-coupled quantum spins embedded in a common bosonic bath as an archetype of dissipative quantum mechanics. First, we elucidate the ground-state phase diagram for an Ohmic and a sub-Ohmic bath using a combination of bosonic numerical renormalization group (NRG), analytical techniques, and intuitive arguments. Second, by employing the time-dependent NRG we investigate the system's rich dynamical behavior arising from the complex interplay between spin-spin and spin-bath interactions. Interestingly, spin oscillations can synchronize due to the proximity of the common non-Markovian bath and the system displays highly entangled steady states for certain nonequilibrium initial preparations. We complement our nonperturbative numerical results by exact analytical solutions when available and provide quantitative limits on the applicability of the perturbative Bloch-Redfield approach at weak coupling.
Nonlinear Dynamics and Quantum Entanglement in Optomechanical Systems Guanglei Wang,1
Lai, Ying-Cheng
Nonlinear Dynamics and Quantum Entanglement in Optomechanical Systems Guanglei Wang,1 Liang Huang,2 address this problem from the perspective of quantum entanglement. We uncover strong fingerprints in the quantum entanglement of two common types of classical nonlinear dynamical behaviors: periodic oscillations
A dynamical point of view of Quantum Information: entropy and pressure
Lopes, Artur Oscar
A dynamical point of view of Quantum Information: entropy and pressure A. Baraviera, C. F called Quantum Computer. In our point of view it makes sense to develop a more "dynamical point of view, of certain topics in Quantum Information from a strictly mathematical point of view. This area is very close
Signatures of chaos in the dynamics of quantum discord.
Madhok, Vaibhav; Gupta, Vibhu; Trottier, Denis-Alexandre; Ghose, Shohini
2015-03-01
We identify signatures of chaos in the dynamics of discord in a multiqubit system collectively modelled as a quantum kicked top. The evolution of discord between any two qubits is quasiperiodic in regular regions, while in chaotic regions the quasiperiodicity is lost. As the initial wave function is varied from the regular regions to the chaotic sea, a contour plot of the time-averaged discord remarkably reproduces the structures of the classical stroboscopic map. We also find surprisingly opposite behavior of two-qubit discord versus entanglement of the two qubits as measured by the concurrence. Our results provide evidence of signatures of chaos in dynamically generated discord. PMID:25871171
Signatures of chaos in the dynamics of quantum discord
NASA Astrophysics Data System (ADS)
Madhok, Vaibhav; Gupta, Vibhu; Trottier, Denis-Alexandre; Ghose, Shohini
2015-03-01
We identify signatures of chaos in the dynamics of discord in a multiqubit system collectively modelled as a quantum kicked top. The evolution of discord between any two qubits is quasiperiodic in regular regions, while in chaotic regions the quasiperiodicity is lost. As the initial wave function is varied from the regular regions to the chaotic sea, a contour plot of the time-averaged discord remarkably reproduces the structures of the classical stroboscopic map. We also find surprisingly opposite behavior of two-qubit discord versus entanglement of the two qubits as measured by the concurrence. Our results provide evidence of signatures of chaos in dynamically generated discord.
Method for discovering relationships in data by dynamic quantum clustering
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.
Theoretical studies of combustion dynamics
Bowman, J.M.
1993-12-01
The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.
Non-relativistic Gravity in Entropic Quantum Dynamics
Johnson, David T.; Caticha, Ariel
2011-03-14
Symmetries and transformations are explored in the framework of entropic quantum dynamics. This discussion leads to two conditions that are required for any transformation to qualify as a symmetry. The heart of this work lies in the application of these conditions to the extended Galilean transformation, which admits features of both special and general relativity. The effective gravitational potential representative of the strong equivalence principle arises naturally.
Generalized Kraus Operators and Generators of Quantum Dynamical Semigroups
Sabina Alazzawi; Bernhard Baumgartner
2015-09-04
Quantum dynamical semigroups play an important role in the description of physical processes such as diffusion, radiative decay or other non-equilibrium events. Taking strongly continuous and trace preserving semigroups into consideration, we show that, under a special criterion, the generator of such a group admits a certain generalized standard form, thereby shedding new light on known approaches in this direction. Furthermore, we illustrate our analysis in concrete examples.
Generalized Kraus operators and generators of quantum dynamical semigroups
NASA Astrophysics Data System (ADS)
Alazzawi, Sabina; Baumgartner, Bernhard
2015-09-01
Quantum dynamical semigroups play an important role in the description of physical processes such as diffusion, radiative decay or other non-equilibrium events. Taking strongly continuous and trace preserving semigroups into consideration, we show that, under a special criterion, the generator of such a group admits a certain generalized standard form, thereby shedding new light on known approaches in this direction. Furthermore, we illustrate our analysis in concrete examples.
Characterizing quantum dynamics with initial system-environment correlations.
Ringbauer, M; Wood, C J; Modi, K; Gilchrist, A; White, A G; Fedrizzi, A
2015-03-01
We fully characterize the reduced dynamics of an open quantum system initially correlated with its environment. Using a photonic qubit coupled to a simulated environment, we tomographically reconstruct a superchannel-a generalized channel that treats preparation procedures as inputs-from measurement of the system alone. We introduce novel quantitative measures for determining the strength of initial correlations, and to allow an experiment to be optimized in regard to its environment. PMID:25793785
Characterizing Quantum Dynamics with Initial System-Environment Correlations
NASA Astrophysics Data System (ADS)
Ringbauer, M.; Wood, C. J.; Modi, K.; Gilchrist, A.; White, A. G.; Fedrizzi, A.
2015-03-01
We fully characterize the reduced dynamics of an open quantum system initially correlated with its environment. Using a photonic qubit coupled to a simulated environment, we tomographically reconstruct a superchannel—a generalized channel that treats preparation procedures as inputs—from measurement of the system alone. We introduce novel quantitative measures for determining the strength of initial correlations, and to allow an experiment to be optimized in regard to its environment.
Dynamical decoupling based quantum sensing: Floquet spectroscopy
J. E. Lang; Ren-Bao Liu; T. S. Monteiro
2015-06-05
Sensing the internal dynamics of individual nuclear spins or clusters of nuclear spins has recently become possible by observing the coherence decay of a nearby electronic spin: the weak magnetic noise is amplified by a periodic, multi-pulse decoupling sequence. However, it remains challenging to robustly infer underlying atomic-scale structure from decoherence traces in all but the simplest cases. We introduce Floquet spectroscopy as a versatile paradigm for analysis of these experiments, and argue it offers a number of general advantages. In particular, this technique generalises to more complex situations, offering physical insight in regimes of many-body dynamics, strong coupling and pulses of finite duration. As there is no requirement for resonant driving, the proposed spectroscopic approach permits physical interpretation of striking, but overlooked, coherence decay features in terms of the form of the avoided crossings of the underlying quasienergy eigenspectrum. This is exemplified by a set of "diamond" shaped features arising for transverse-field scans in the case of single-spin sensing by NV-centers in diamond. We investigate also applications for donors in silicon showing that the resulting tunable interaction strengths offer highly promising future sensors.
Dynamical corrections to quantum transition state theory
NASA Astrophysics Data System (ADS)
Cheney, Brian G.; Andersen, Hans C.
2003-06-01
Various versions of quantum transition state theory (QTST) for the calculation of chemical reaction rate coefficients have been developed. The Hansen-Andersen formulation of QTST approximates the reactive flux autocorrelation function of Miller, Schwartz, and Tromp for the problem of interest by the correlation function for a one-dimensional system with a suitably chosen parabolic reference potential. In this paper, we present a systematic method for correcting this approximation in order to obtain more accurate rate constants at low temperatures. Values of the correlation function for real or imaginary times, such as might be obtained from path integral Monte Carlo calculations, are used to construct an improved approximation for the flux autocorrelation function. Our method uses a Bayesian analysis that incorporates a modified form of the maximum entropy method. In contrast to other applications of the maximum entropy method to this problem, the improved approximation is consistent with the known analyticity properties of the correlation function. The method is applied to several test problems, including one based on the H2+Cl reaction. Our method yields significant corrections using a remarkably small amount of information.
Numerical Studies of the Quantum Adiabatic Algorithm
NASA Astrophysics Data System (ADS)
Young, A. P.; Hen, Itay
2015-09-01
Quantum annealers promise to solve practical optimization problems potentially faster than conventional classical computers. One of the major ongoing debates in this context pertains to their robustness against the decohering effects of finite temperature and interactions with the environment. We argue that even in an ideal setting of very low temperatures and in the absence of a decohering environment, quantum annealers do not necessarily perform better than classical heuristic solvers. Here, we numerically study the performance of the quantum adiabatic algorithm (QAA) on a variety of constraint satisfaction problems and a spin glass problem by studying the size dependence of the minimum energy gap during the evolution of the QAA. We do so by employing Quantum Monte Carlo schemes as these allow us to study these problems at much larger scales than exact methods would allow. We find that in all cases a quantum phase transition occurs and the minimum gap decreases exponentially with system size, leading to an exponentially large running time for the QAA. Based on these and other results, we briefly discuss potential modifications to the QAA that may improve the scaling of the minimum gap, leading to faster quantum adiabatic algorithms.
Quantum Geometry of a Configuration Space in a Covariant Dynamical Theory
N. Gorobey; A. Lukyanenko; I. Lukyanenko
2009-09-10
A quantum version of the action principle in a simple covariant dynamical theory of two relativistic particles is formulated. The central object of this new formulation of quantum theory is a stationary eigenvalue of the quantum action. This quantity defines a quantum geometry in a configuration space. In the presence of "probe" fields it plays the role of a generation function of observables.
NASA Astrophysics Data System (ADS)
Tribuzy, C. V.-B.; Ohser, S.; Winnerl, S.; Grenzer, J.; Schneider, H.; Helm, M.; Neuhaus, J.; Dekorsy, T.; Biermann, K.; Künzel, H.
2007-04-01
Intersubband relaxation dynamics in modulation doped InGaAs/AlAsSb multiquantum well (QW), with different QW thicknesses was investigated by femtosecond pump-probe Spectroscopy. At early delay times, the samples show an exponential decay of the transient transmission with picosecond time constants. At later delay times, the relaxation dynamics depends on QW thickness. The presence of a slowly decaying component indicates the transfer of electrons to states related to indirect valleys in the barriers. This result is further confirmed by solving three-level rate equations.
Effective Dynamics in Bianchi Type II Loop Quantum Cosmology
Corichi, Alejandro
2012-01-01
We numerically investigate the solutions to the effective equations of the Bianchi II model within the "improved" Loop Quantum Cosmology (LQC) dynamics. The matter source is a massless scalar field. We perform a systematic study of the space of solutions, and focus on the behavior of several geometrical observables. We show that the big-bang singularity is replaced by a bounce and the point-like singularities do not saturate the energy density bound. There are up to five directional bounces in the scale factors, one global bounce in the expansion, the shear presents up to four local maxima and can be zero at the bounce. This allows for solutions with density larger than the maximal density for the isotropic and Bianchi I cases. The asymptotic behavior is shown to behave like that of a Bianchi I model, and the effective solutions connect anisotropic solutions even when the shear is zero at the bounce. All known facts of Bianchi I are reproduced. In the "vacuum limit", solutions are such that almost all the dyn...
A quantum dynamical framework for Brownian heat engines
G. S. Agarwal; S. Chaturvedi
2013-03-06
We present a self contained formalism modelled after the Brownian motion of a quantum harmonic oscillator for describing the performance of microscopic Brownian heat engines like Carnot, Stirling and Otto engines. Our theory, besides reproducing the standard thermodynamics results in the steady state enables permits us to study the role dissipation plays in determining the efficiency of Brownian heat engines under actual laboratory conditions. In particular, we analyse 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 techniques and exactly solvable models presented here are interesting in their own right and, in our opinion, would find useful applications in other contexts as well.
Quantum dynamics in a tiered non-Markovian environment
NASA Astrophysics Data System (ADS)
Fruchtman, Amir; Lovett, Brendon W.; Benjamin, Simon C.; Gauger, Erik M.
2015-02-01
We introduce a new analytical method for studying the open quantum systems problem of a discrete system weakly coupled to an environment of harmonic oscillators. Our approach is based on a phase space representation of the density matrix for a system coupled to a two-tiered environment. The dynamics of the system and its immediate environment are resolved in a non-Markovian way, and the environmental modes of the inner environment can themselves be damped by a wider ‘universe’. Applying our approach to the canonical cases of the Rabi and spin-boson models we obtain new analytical expressions for an effective thermalization temperature and corrections to the environmental response functions as direct consequences of considering such a tiered environment. A comparison with exact numerical simulations confirms that our approximate expressions are remarkably accurate, while their analytic nature offers the prospect of deeper understanding of the physics which they describe. A unique advantage of our method is that it permits the simultaneous inclusion of a continuous bath as well as discrete environmental modes, leading to wide and versatile applicability.
Quantum dynamics in a tiered non-Markovian environment
Amir Fruchtman; Brendon W. Lovett; Simon C. Benjamin; Erik M. Gauger
2015-02-26
We introduce a new analytical method for studying the open quantum systems problem of a discrete system weakly coupled to an environment of harmonic oscillators. Our approach is based on a phase space representation of the density matrix for a system coupled to a two-tiered environment. The dynamics of the system and its immediate environment are resolved in a non-Markovian way, and the environmental modes of the inner environment can themselves be damped by a wider `universe'. Applying our approach to the canonical cases of the Rabi and spin-boson models we obtain new analytical expressions for an effective thermalisation temperature and corrections to the environmental response functions as direct consequences of considering such a tiered environment. A comparison with exact numerical simulations confirms that our approximate expressions are remarkably accurate, while their analytic nature offers the prospect of deeper understanding of the physics which they describe. A unique advantage of our method is that it permits the simultaneous inclusion of a continuous bath as well as discrete environmental modes, leading to wide and versatile applicability.
The Quantum Electron Dynamics of Materials Subjected to Extreme Environments
NASA Astrophysics Data System (ADS)
Theofanis, Patrick Lauren
Quantum wavepacket molecular dynamics simulations are used to study the effects of extreme environments on materials. The electron forcefield (eFF) method provides energies and forces from which wavepackets can be propagated in time under conditions ranging from standard temperature and pressure to tens of thousands of Kelvin and hundreds of GPa of pressure with strain rates as high as 1 km per second. Using this technique nanometer scale systems with hundreds of thousands of particles can be simulated for up to hundreds of picoseconds. High strain rate fracture in solids is accompanied by the emission of electrons and photons, though atomistic simulations have thus far been unable to capture such processes. The eFF method for nonadiabatic dynamics accounts for electron emission and large potential differences consistent with the experiments, providing the first atomistic description of the origin of these effects. The effects that we explain are (1) loading of a crack leads to a sudden onset of crack propagation at 7 GPa followed by uniform velocity of the crack at 2500 km/sec after initiation, and (2) voltage fluctuations in the 10--400 mV range, charge creation (up to 1011 carriers/cm 2), and current production (up to 1.3 mA). The development of an effective core potential for eFF enabled this large scale study. Using the eFF wavepacket molecular dynamics method, simulations of the single shock Hugoniot are reported for crystalline polyethylene (PE). The eFF results are in good agreement with previous DFT theories and experimental data which is available up to 80 GPa. We predict shock Hugoniots for PE up to 350 GPa. In addition, we analyze the phase transformations that occur due to heating. Our analysis includes ionization fraction, molecular decomposition, and electrical conductivity during isotropic compression. We find that above a compression of 2.4 g/cm3 the PE structure transforms into a Lennard-Jones fluid, leading to a sharp increase in electron ionization and a significant increase in system conductivity. eFF accurately reproduces shock pressures and temperatures for PE along the single shock Hugoniot.
Dynamics of quantum turbulence of different spectra
Walmsley, Paul; Zmeev, Dmitry; Pakpour, Fatemeh; Golov, Andrei
2014-01-01
Turbulence in a superfluid in the zero-temperature limit consists of a dynamic tangle of quantized vortex filaments. Different types of turbulence are possible depending on the level of correlations in the orientation of vortex lines. We provide an overview of turbulence in superfluid 4He with a particular focus on recent experiments probing the decay of turbulence in the zero-temperature regime below 0.5 K. We describe extensive measurements of the vortex line density during the free decay of different types of turbulence: ultraquantum and quasiclassical turbulence in both stationary and rotating containers. The observed decays and the effective dissipation as a function of temperature are compared with theoretical models and numerical simulations. PMID:24704876
Quantum dynamics of the avian compass
NASA Astrophysics Data System (ADS)
Walters, Zachary B.
2014-10-01
The ability of migratory birds to orient relative to the Earth's magnetic field is believed to involve a coherent superposition of two spin states of a radical electron pair. However, the mechanism by which this coherence can be maintained in the face of strong interactions with the cellular environment has remained unclear. This paper addresses the problem of decoherence between two electron spins due to hyperfine interaction with a bath of spin-1/2 nuclei. Dynamics of the radical pair density matrix are derived and shown to yield a simple mechanism for sensing magnetic field orientation. Rates of dephasing and decoherence are calculated ab initio and found to yield millisecond coherence times, consistent with behavioral experiments.
Quantum-gravity induced Lorentz violation and dynamical mass generation
Mavromatos, Nick E.
2011-01-15
In the eprint by Jean Alexandre [arXiv:1009.5834], a minimal extension of (3+1)-dimensional quantum electrodynamics has been proposed, which includes Lorentz violation (LV) in the form of higher-(spatial)-derivative isotropic terms in the gauge sector, suppressed by a mass scale M. The model can lead to dynamical mass generation for charged fermions. In this article, I elaborate further on this idea and I attempt to connect it to specific quantum-gravity models, inspired from string/brane theory. Specifically, in the first part of the article, I comment briefly on the gauge dependence of the dynamical mass generation in the approximations of J. Alexandre [arXiv:1009.5834.], and I propose a possible avenue for obtaining the true gauge-parameter-independent value of the mass by means of pinch technique argumentations. In the second part of the work, I embed the LV QED model into multibrane world scenarios with a view to provide a geometrical way of enhancing the dynamical mass to phenomenologically realistic values by means of bulk warp metric factors, in an (inverse) Randall-Sundrum hierarchy. Finally, in the third part of this paper, I demonstrate that such Lorentz-violating QED models may represent parts of a low-energy effective action (of Finsler-Born-Infeld type) of open strings propagating in quantum D0-particle stochastic space-time foam backgrounds, which are viewed as consistent quantum-gravity configurations. To capture correctly the quantum-fluctuating nature of the foam background, I replace the D0-recoil-velocity parts of this action by appropriate gradient operators in three-space, keeping the photon field part intact. This is consistent with the summation over world-sheet genera in the first-quantized string approach. I identify a class of quantum orderings which leads to the LV QED action of J. Alexandre, arXiv:1009.5834. In this way I argue, following the logic in that work, that the D-foam can lead to dynamically generated masses for charged-matter (fermionic) excitations interacting with it.
Including Quantum Effects in the Dynamics of Complex (i.e., Large)Molecular Systems
Miller, William H.
2006-04-27
The development in the 1950's and 60's of crossed molecular beam methods for studying chemical reactions at the single-collision molecular level stimulated the need and desire for theoretical methods to describe these and other dynamical processes in molecular systems. Chemical dynamics theory has made great strides in the ensuing decades, so that methods are now available for treating the quantum dynamics of small molecular systems essentially completely. For the large molecular systems that are of so much interest nowadays (e.g. chemical reactions in solution, in clusters, in nano-structures, in biological systems, etc.), however, the only generally available theoretical approach is classical molecular dynamics (MD) simulations. Much effort is currently being devoted to the development of approaches for describing the quantum dynamics of these complex systems. This paper reviews some of these approaches, especially the use of semiclassical approximations for adding quantum effects to classical MD simulations, also showing some new versions that should make these semiclassical approaches even more practical and accurate.
Quantum dynamical study of the O({sup 1}D) + CH{sub 4} ? CH{sub 3} + OH atmospheric reaction
Ben Bouchrit, R.; Ben Abdallah, D.; Jaidane, N.; Jorfi, M.; González, M.; Honvault, P.
2014-06-28
Time independent quantum mechanical (TIQM) scattering calculations have been carried out for the O({sup 1}D) + CH{sub 4}(X{sup 1}A{sub 1}) ? CH{sub 3}(X{sup 2}A{sub 2}?) + OH(X{sup 2}?) atmospheric reaction, using an ab initio ground potential energy surface where the CH{sub 3} group is described as a pseudo-atom. Total and state-to-state reaction probabilities for a total angular momentum J = 0 have been determined for collision energies up to 0.5 eV. The vibrational and rotational state OH product distributions show no specific behavior. The rate coefficient has been calculated by means of the J-shifting approach in the 10–500 K temperature range and slightly depends on T at ordinary temperatures (as expected for a barrierless reaction). Quantum effects do not influence the vibrational populations and rate coefficient in an important way, and a rather good agreement has been found between the TIQM results and the quasiclassical trajectory and experimental ones. This reinforces somewhat the reliability of the pseudo-triatomic approach under the reaction conditions explored.
NASA Astrophysics Data System (ADS)
Wang, Dong-Mei; Qian, Yi; Xu, Jing-Bo; Yu, You-Hong
2015-11-01
We investigate the influence of the dynamical decoupling pulses on the quantum correlations in a superconducting system consisting of two noninteracting qubits interacting with their own data buses. It is found that the geometric discord and entanglement between the two superconducting qubits can be increased by applying a train of ?-phase pulses. We then proceed to explore how the decoupling pulses affect the quantum transfer of information between the two superconducting qubits by making use of the change of trace distance. Project supported by the National Natural Science Foundation of China (Grant No. 11274274).
A cold-atom ratchet interpolating between classical and quantum dynamics
R. K. Shrestha; W. K. Lam; J. Ni; G. S. Summy
2013-06-03
We study the crossover between classical and quantum dynamics by observing the behavior of a quantum ratchet created by exposing a Bose-Einstein condensate to short pulses of a potential which is periodic in both space and time. Such a ratchet is manifested by a directed current of particles, even though there is an absence of a net bias force. We confirm that the ratchet behavior can under certain circumstances be the same in both regimes. We demonstrate that this behavior can be understood using a single variable containing many of the experimental parameters and thus the ratchet current is describable using a single universal scaling law.
NASA Astrophysics Data System (ADS)
Valuev, I. A.; Morozov, I. V.
2015-11-01
In this paper, we review a multiple-wavepacket version of the Antisymmetrized Wave Packet Molecular Dynamics (AWPMD), that may be utilized to increase the accuracy and the performance of this quantum simulation method. The original WPMD method is based on parameterization of the electron wave function by a single Gaussian wave packet. It gives qualitatively better results than the classical Molecular Dynamics but the quantitative description of essentially quantum systems is rather poor. In this work, we describe a new technique based on multiple Gaussian expansion of the single-electron wave function, which is called Split Wave Packet Molecular Dynamics (SWPMD). The related theoretical formalism is given, followed by the analysis of static and dynamical properties of a quantum system of several particles, where the simulation results may be compared to the theoretical predictions. The tests are based on ionization of hydrogen atom under a strong laser pulse. We demonstrate that the SWPMD method may significantly improve the accuracy of the model wave function and enables one to simulate the quantum branching processes, including the tunneling, which was impossible in the single-wavepacket version of the method.
Danel, J.-F.; Blottiau, P.; Kazandjian, L.; Piron, R.; Torrent, M.
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.
Theory of quantum control of spin-photon dynamics and spin decoherence in semiconductors
NASA Astrophysics Data System (ADS)
Yao, Wang
Single electron spin in a semiconductor quantum dot (QD) and single photon wavepacket propagating in an optical waveguide are investigated as carriers of quantum bit (qubit) for information processing. Cavity quantum electrodynamics of the coupled system composed of charged QD, microcavity and waveguide provides a quantum interface for the interplay of stationary spin qubits and flying photon qubits via cavity assisted optical control. This interface forms the basis for a wide range of essential functions of a quantum network, including transferring, swapping, and entangling qubits at distributed quantum nodes as well as a deterministic source and an efficient detector of a single photon wavepacket with arbitrarily specified shape. The cavity assisted optical process also made possible ultrafast initialization and QND readout of the spin qubit in QD. In addition, the strong optical nonlinearity of dot-cavity-waveguide coupled system enables phase gate and entanglement operation for flying single photon qubits in waveguides. The coherence of the electron spin is the wellspring of these quantum applications being investigated. At low temperature and strong magnetic field, the dominant cause of electron spin decoherence is the coupling with the interacting lattice nuclear spins. We present a quantum solution to the coupled dynamics of the electron with the nuclear spin bath. The decoherence is treated in terms of quantum entanglement of the electron with the nuclear pair-flip excitations driven by the various nuclear interactions. A novel nuclear interaction, mediated by virtue spin-flips of the single electron, plays an important role in single spin free-induction decay (FID). The spin echo not only refocuses the dephasing by inhomogeneous broadening in ensemble dynamics but also eliminates the decoherence by electron-mediated nuclear interaction. Thus, the decoherence times for single spin FID and ensemble spin echo are significantly different. The quantum theory of decoherence also leads to a method of coherence recovery of the electron by disentanglement, realized through maneuvering the nuclear bath evolution by control of the electron spin-flip. The studies form the basis to outline the construction of a solid-state quantum network for scalable and distributed processing of quantum information.
Resonant Rayleigh scattering dynamics of excitons in single quantum wells
NASA Astrophysics Data System (ADS)
Kocherscheidt, G.; Langbein, W.; Woggon, U.; Savona, V.; Zimmermann, R.; Reuter, D.; Wieck, A. D.
2003-08-01
The resonant Rayleigh scattering dynamics of excitons in single GaAs quantum wells is investigated. The deviation of the measured intensity from the ideal ensemble average is analyzed as a function of the speckle ensemble size. The influence of the amplitude and correlation length of the exciton disorder potential is traced using a series of samples with varying inhomogeneous broadening and interface island sizes. The experimental data are compared with theoretical predictions using exciton states of spatially uncorrelated energies, as well as full calculations of the exciton polarization dynamics using a more realistic disorder potential including the formation of monolayer islands. Deviations from the dynamics of uncorrelated states are found at early times after excitation. They are reproduced by the calculations possessing a state correlation due to quantum mechanical level repulsion and a finite correlation length for the disorder potential. Additionally, the presence of a long-range disorder potential in the micrometer range is suggested. Changing the disorder potential by varying the island size influences the observed dynamics systematically according to the different disorder correlation lengths.
NASA Astrophysics Data System (ADS)
Gerving, C. S.; Hoang, T. M.; Land, B. J.; Anquez, M.; Hamley, C. D.; Chapman, M. S.
2012-11-01
A pendulum prepared perfectly inverted and motionless is a prototype of unstable equilibrium and corresponds to an unstable hyperbolic fixed point in the dynamical phase space. Here, we measure the non-equilibrium dynamics of a spin-1 Bose-Einstein condensate initialized as a minimum uncertainty spin-nematic state to a hyperbolic fixed point of the phase space. Quantum fluctuations lead to non-linear spin evolution along a separatrix and non-Gaussian probability distributions that are measured to be in good agreement with exact quantum calculations up to 0.25s. At longer times, atomic loss due to the finite lifetime of the condensate leads to larger spin oscillation amplitudes, as orbits depart from the separatrix. This demonstrates how decoherence of a many-body system can result in apparent coherent behaviour. This experiment provides new avenues for studying macroscopic spin systems in the quantum limit and for investigations of important topics in non-equilibrium quantum dynamics.
NASA Astrophysics Data System (ADS)
Gupta, Manish K.; Navarro, Erik J.; Moulder, Todd A.; Mueller, Jason D.; Balouchi, Ashkan; Brown, Katherine L.; Lee, Hwang; Dowling, Jonathan P.
2015-05-01
The storage of quantum states and its distribution over long distances is essential for emerging quantum technologies such as quantum networks and long distance quantum cryptography. The implementation of polarization-based quantum communication is limited by signal loss and decoherence caused by the birefringence of a single-mode fiber. We investigate the Knill dynamical decoupling scheme, implemented using half-wave plates in a single mode fiber, to minimize decoherence of polarization qubit and show that a fidelity greater than 99 % can be achieved in absence of rotation error and fidelity greater than 96 % can be achieved in presence of rotation error. Such a scheme can be used to preserve any quantum state with high fidelity and has potential application for constructing all optical quantum memory, quantum delay line, and quantum repeater. The authors would like to acknowledge the support from the Air Force office of Scientific Research, the Army Research office, and the National Science Foundation.
Phase space theory of quantum–classical systems with nonlinear and stochastic dynamics
Buri?, Nikola Popovi?, Duška B.; Radonji?, Milan; Prvanovi?, Slobodan
2014-04-15
A novel theory of hybrid quantum–classical systems is developed, utilizing the mathematical framework of constrained dynamical systems on the quantum–classical phase space. Both, the quantum and classical descriptions of the respective parts of the hybrid system are treated as fundamental. Therefore, the description of the quantum–classical interaction has to be postulated, and includes the effects of neglected degrees of freedom. Dynamical law of the theory is given in terms of nonlinear stochastic differential equations with Hamiltonian and gradient terms. The theory provides a successful dynamical description of the collapse during quantum measurement. -- Highlights: •A novel theory of quantum–classical systems is developed. •Framework of quantum constrained dynamical systems is used. •A dynamical description of the measurement induced collapse is obtained.
Terahertz Dynamics of Quantum-Confined Electrons in Carbon Nanomaterials
NASA Astrophysics Data System (ADS)
Ren, Lei
The terahertz (THz) frequency range. 0.1 - 20 THz, exists between the microwave and infrared ranges and contains abundant information on the dynamics of charge and spin carriers in condensed matter systems. Since its advent two decades ago, THz spectroscopy has been extensively used to study a wide range of solid state materials, including typical semiconductors, conducting polymers, insulators, superconductors, and artificially grown structures such as quantum wells. In these systems, electronic and photonic events tend to occur on the time scale of tens to hundreds of femtoseconds, which results in many important excitations, resonances and dynamical phenomena in the THz frequency range. In this dissertation work, we have developed a typical THz time-domain spectroscopy (TDS) system to investigate the THz dynamics of quantum-confined electrons in two important types of carbon nanomaterial: single-walled carbon nanotubes (SWNTs) and graphene. Polarization dependent THz transmission measurements were conducted on a highly-aligned SWNT film on a sapphire substrate, revealing extremely high anisotropy: virtually no attenuation was observed when the polarization of the THz beam was perpendicular to the nanotube axis, while the THz beam was strongly absorbed when its polarization was parallel to the tube axis. From the measured absorption anisotropy, we calculated the reduced linear dichrosim to be 3, corresponding to a nematic order parameter of 1. These observations are a direct result of the one-dimensional nature of conduction electrons in the nanotubes and at the same time, demonstrate that any misalignment of nanotubes in the film mast have characteristic length scales much smaller than the wavelengths used in these experiments (1.5 mm -- 150 mum). Based on this work, an ideal THz linear polarizer built with parallel stacks of such aligned SWNT films was synthesized, exhibiting a degree of polarization of 99.9% throughout the frequency range 0.2 -- 2.2 THz and a high extinction ratio of 10--3 (or 30 dB). The THz complex conductivity of the thin SWNT film was extracted through a proper model directly from the TDS data without Kramers-Kronig analysis. Both real and imaginary parts of the conductivity showed a non-Drude frequency dependence, indicating the presence of plasmon-dipole resonance at higher frequencies. Finally, the optical conductivity of large-area. graphene grown from solid state carbon source was studied in a wide spectral range (7 cm --1 -- 9500 cm--1) using THz-TDS and Fourier transform infrared spectroscopy. We observed that the Fermi level Ef of graphene could be tuned by both electrical gating and thermal annealing. The optical conductivity measured at different carrier concentrations exhibited Drude-like frequency dependence, and different 2 Ef onsets in the spectrum were probed as well.
Spatial mode dynamics in wide-aperture quantum-dot lasers
Mukherjee, Jayanta; McInerney, John G.
2009-05-15
We present a systematic theoretical study of spatial mode dynamics in wide-aperture semiconductor quantum-dot lasers within the Maxwell-Bloch formalism. Our opto-electro-thermal model self-consistently captures the essential dynamical coupling between field, polarization, and carrier density in both thermal and nonthermal regimes, providing detailed description of the complex spatiotemporal modal intensity structure and spectra in these novel devices and broad area edge-emitting lasers in general. Using linear stability analysis and high resolution adaptive-grid finite element numerical simulation, we show that in the nonthermal regime, the presence of inhomogeneous broadening in quantum-dot active media leads to suppressed filamentation and enhanced spatial coherence compared to conventional quantum well devices with comparable phase-amplitude coupling (alpha parameter). Increasing the degree of inhomogeneous broadening in the active medium leads to further improvement in spatial coherence. In the thermal regime, there is further suppression of filamentation in the inhomogeneously broadened quantum-dot active medium; however, the spatial coherence aided by inhomogeneous broadening is partly lost due to the effect of temperature on cavity detuning. We propose that device designs based on optimized inhomogeneous broadening of quantum-dot gain medium could ultimately lead to diffraction-limited outputs in the quasi-cw regime which are still very difficult to achieve in conventional wide-aperture designs.
Kelly, Aaron; Markland, Thomas E.; Brackbill, Nora
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.
Quantum speed-up transition in open system dynamics
Xiang Hao; Wenjiong Wu
2015-10-20
The rate of the trace distance is used to evaluate quantum speed-up for arbitrary mixed states. Compared with some present methods, the approach based on trace distance can provide an optimal bound to the speed of the evolution. The dynamical transition from no speed-up region to speed-up region takes on in the spontaneous decay of an two-level atom with detuning. The evolution is characteristic of the alternating behavior between quantum speed-up and speed-down in the strong system-reservoir coupling regime. Under the o?ff-resonance condition, the dynamical evolution can be accelerated for short previous times and then decelerated to a normal process either in the weak or strong coupling regime. From the time-energy uncertainty relation, we demonstrate that the potential capacity for quantum speed-up evolution is closely related to the energy flow-back from the reservoir to the system. The negative decay rate for short time intervals leads to the speed-up process where the photons previously emitted by the atom are reabsorbed at a later time. The values of the spontaneous decay rate becomes positive after a long enough time, which results in the normal evolution with no speed-up potential.
NASA Astrophysics Data System (ADS)
Kim, Y.-H.; Kuhl, U.; Stöckmann, H.-J.; Bird, J. P.
2005-05-01
We investigate the signatures of dynamical tunnelling in open quantum dots, by implementing a soft-walled microwave cavity as a novel analogue system. We explore the evidence for dynamical tunnelling by studying the evolution of the wavefunction phase as a function of frequency and show evidence for evanescent coupling to isolated orbits, including the existence of 'dirty' states in the wavefunction that are generated from a degenerate pair of 'clean' states when they are degraded by their tunnelling interaction. Our investigations provide a useful analogue of quantum transport in open quantum dots, and demonstrate the importance of dynamical tunnelling that arises from the mixed classical dynamics that is inherent to these structures.
Effect of carrier dynamics and temperature on two-state lasing in semiconductor quantum dot lasers
Korenev, V. V. Savelyev, A. V.; Zhukov, A. E.; Omelchenko, A. V.; Maximov, M. V.
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.
The Emergence of Classical Dynamics in a Quantum World
Tanmoy Bhattacharya; Salman Habib; Kurt Jacobs
2004-07-14
Ever since the advent of quantum mechanics, it has been clear that the atoms composing matter do not obey Newton's laws. Instead, their behavior is described by the Schroedinger equation. Surprisingly though, until recently, no clear explanation was given for why everyday objects, which are merely collections of atoms, are observed to obey Newton's laws. It would seem that, if quantum mechanics explains all the properties of atoms accurately, they, too, should obey quantum mechanics. This reasoning led some scientists to believe in a distinct macroscopic, or ``big and complicated,'' world in which quantum mechanics fails and classical mechanics takes over, although there has never been experimental evidence for such a failure. Even those who insisted that Newtonian mechanics would somehow emerge from the underlying quantum mechanics as the system became increasingly macroscopic were hindered by the lack of adequate experimental and theoretical tools. In the last decade, however, this quantum-to-classical transition has become accessible to experimental study and quantitative description, and the resulting insights are the subject of this article.
Electron Dynamics of Interatomic Coulombic Decay in Quantum Dots: Singlet Initial State
NASA Astrophysics Data System (ADS)
Bande, Annika; Pont, Federico M.; Dolbundalchok, Praphasiri; Gokhberg, Kirill; Cederbaum, Lorenz S.
2013-03-01
In this paper we investigated the interatomic Coulombic decay (ICD) of a resonance singlet state in a model potential for two few-electron semiconductor quantum dots (QDs) by means of electron dynamics. We demonstrate that ICD is the major decay process of the resonance for the singlet wave function and compare the total and partial decay widths as a function of the QD separation with that from our previous study on the corresponding triplet states [1].
Cyclotron-Bloch dynamics of a quantum particle in a two-dimensional lattice II
A. R. Kolovsky; I. Chesnokov; G. Mantica
2012-05-04
We study the quantum dynamics of a charged particle in a two-dimensional lattice, subject to constant and homogeneous electric and magnetic fields. We find that different regimes characterize these motions, depending on a combination of conditions, corresponding to weak and strong electric field intensities, rational or irrational directions of the electric field with respect to the lattice, and small or large values of the magnetic (Peierls) phase.
Quantum dynamics in continuum for proton transport—Generalized correlation
Chen, Duan; Wei, Guo-Wei
2012-01-01
As a key process of many biological reactions such as biological energy transduction or human sensory systems, proton transport has attracted much research attention in biological, biophysical, and mathematical fields. A quantum dynamics in continuum framework has been proposed to study proton permeation through membrane proteins in our earlier work and the present work focuses on the generalized correlation of protons with their environment. Being complementary to electrostatic potentials, generalized correlations consist of proton-proton, proton-ion, proton-protein, and proton-water interactions. In our approach, protons are treated as quantum particles while other components of generalized correlations are described classically and in different levels of approximations upon simulation feasibility and difficulty. Specifically, the membrane protein is modeled as a group of discrete atoms, while ion densities are approximated by Boltzmann distributions, and water molecules are represented as a dielectric continuum. These proton-environment interactions are formulated as convolutions between number densities of species and their corresponding interaction kernels, in which parameters are obtained from experimental data. In the present formulation, generalized correlations are important components in the total Hamiltonian of protons, and thus is seamlessly embedded in the multiscale/multiphysics total variational model of the system. It takes care of non-electrostatic interactions, including the finite size effect, the geometry confinement induced channel barriers, dehydration and hydrogen bond effects, etc. The variational principle or the Euler-Lagrange equation is utilized to minimize the total energy functional, which includes the total Hamiltonian of protons, and obtain a new version of generalized Laplace-Beltrami equation, generalized Poisson-Boltzmann equation and generalized Kohn-Sham equation. A set of numerical algorithms, such as the matched interface and boundary method, the Dirichlet to Neumann mapping, Gummel iteration, and Krylov space techniques, is employed to improve the accuracy, efficiency, and robustness of model simulations. Finally, comparisons between the present model predictions and experimental data of current-voltage curves, as well as current-concentration curves of the Gramicidin A channel, verify our new model. PMID:22482542
Gain dynamics and saturation in semiconductor quantum dot amplifiers
NASA Astrophysics Data System (ADS)
Berg, T. W.; Mørk, J.; Hvam, J. M.
2004-11-01
Quantum dot (QD)-based semiconductor optical amplifiers offer unique properties compared with conventional devices based on bulk or quantum well material. Due to the bandfilling properties of QDs and the existence of a nearby reservoir of carriers in the form of a wetting layer, QD semiconductor optical amplifiers may be operated in regimes of high linearity, i.e. with a high saturation power, but can also show strong and fast nonlinearities by breaking the equilibrium between discrete dot states and the continuum of wetting layer states. In this paper, we analyse the interplay of these two carrier populations in terms of a simple rate equation model. Based on the steady-state and small-signal properties of the model, we analyse and discuss the optical modulation response and the four-wave mixing properties of QD semiconductor optical amplifiers, in particular emphasizing the role of ultrafast gain dynamics.
High-performance dynamic quantum clustering on graphics processors
Wittek, Peter
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.
Entangling polaritons via dynamical Casimir effect in circuit quantum electrodynamics
D. Z. Rossatto; S. Felicetti; H. Eneriz; E. Rico; M. Sanz; E. Solano
2015-11-12
We investigate how the dynamical Casimir effect (DCE) can entangle quantum systems in different coupling regimes of circuit quantum electrodynamics, and show the robustness of such entanglement generation against dissipative effects with current technology. We consider two qubit-resonator systems, which are coupled by a SQUID driven with an external magnetic field, and explore the entire range of coupling regimes between each qubit and its respective resonator. In this scheme, we derive a semianalytic explanation for the entanglement generation between both superconducting qubits when they are coupled to their resonators in the strong coupling (SC) regime. For the ultrastrong (USC) and deep strong coupling (DSC) regimes, we design feasible protocols to generate maximally-entangled polaritonic states.
Distinguishing decoherence from alternative quantum theories by dynamical decoupling
NASA Astrophysics Data System (ADS)
Arenz, Christian; Hillier, Robin; Fraas, Martin; Burgarth, Daniel
2015-08-01
A long-standing challenge in the foundations of quantum mechanics is the verification of alternative collapse theories despite their mathematical similarity to decoherence. To this end, we suggest a method based on dynamical decoupling. Experimental observation of nonzero saturation of the decoupling error in the limit of fast-decoupling operations can provide evidence for alternative quantum theories. The low decay rates predicted by collapse models are challenging, but high-fidelity measurements as well as recent advances in decoupling schemes for qubits let us explore a similar parameter regime to experiments based on macroscopic superpositions. As part of the analysis we prove that unbounded Hamiltonians can be perfectly decoupled. We demonstrate this on a dilation of a Lindbladian to a fully Hamiltonian model that induces exponential decay.
Understanding quantum measurement from the solution of dynamical models
NASA Astrophysics Data System (ADS)
Allahverdyan, Armen E.; Balian, Roger; Nieuwenhuizen, Theo M.
2013-04-01
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 Dˆ(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 Dˆ(t) that involves correlations between the system and the indications of the pointer, thus ensuring registration. Although Dˆ(t) has the form expected for ideal measurements, it only describes a large set of runs. Individual runs are approached by analyzing the final states associated with all possible subensembles of runs, within a specified version of the statistical interpretation. There the difficulty lies in a quantum ambiguity: There exist many incompatible decompositions of the density matrix Dˆ(t) into a sum of sub-matrices, so that one cannot infer from its sole determination the states that would describe small subsets of runs. This difficulty is overcome by dynamics due to suitable interactions within the apparatus, which produce a special combination of relaxation and decoherence associated with the broken invariance of the pointer. Any subset of runs thus reaches over a brief delay a stable state which satisfies the same hierarchic property as in classical probability theory; the reduction of the state for each individual run follows. Standard quantum statistical mechanics alone appears sufficient to explain the occurrence of a unique answer in each run and the emergence of classicality in a measurement process. Finally, pedagogical exercises are proposed and lessons for future works on models are suggested, while the statistical interpretation is promoted for teaching.
Quantum Dynamical Relativity and the Nature of Spacetime
Walstad, Allan
2015-01-01
Einstein's special theory of relativity starts with assumptions about how observations conducted in relatively moving inertial frames must compare. From these assumptions, conclusions can be drawn regarding the laws of physics in any one frame. Can we do the reverse, that is, build the correct physics entirely from considerations within a single frame and infer therefrom the results of measurements in moving frames? Can we, in this project, supply the "elementary foundations" that Einstein found lacking in his own theory, thereby converting special relativity from (in Einstein's terminology) a "principle" theory to a "constructive" one? Expanding on the approach suggested by Johns S. Bell, this paper demonstrates that we can progress toward those goals via the introduction of elementary quantum concepts, particularly the idea of matter waves (deBroglie waves) that was unknown to Einstein in 1905. This quantum dynamical approach offers to resolve a recent dispute in philosophy of physics regarding the Minkowsk...
Quenching of dynamic nuclear polarization by spin–orbit coupling in GaAs quantum dots
Nichol, John M.; Harvey, Shannon P.; Shulman, Michael D.; Pal, Arijeet; Umansky, Vladimir; Rashba, Emmanuel I.; Halperin, Bertrand I.; Yacoby, Amir
2015-01-01
The central-spin problem is a widely studied model of quantum decoherence. Dynamic nuclear polarization occurs in central-spin systems when electronic angular momentum is transferred to nuclear spins and is exploited in quantum information processing for coherent spin manipulation. However, the mechanisms limiting this process remain only partially understood. Here we show that spin–orbit coupling can quench dynamic nuclear polarization in a GaAs quantum dot, because spin conservation is violated in the electron–nuclear system, despite weak spin–orbit coupling in GaAs. Using Landau–Zener sweeps to measure static and dynamic properties of the electron spin–flip probability, we observe that the size of the spin–orbit and hyperfine interactions depends on the magnitude and direction of applied magnetic field. We find that dynamic nuclear polarization is quenched when the spin–orbit contribution exceeds the hyperfine, in agreement with a theoretical model. Our results shed light on the surprisingly strong effect of spin–orbit coupling in central-spin systems. PMID:26184854
Shu, Chuan-Cun; Edwalds, Melanie; Shabani, Alireza; Ho, Tak-San; Rabitz, Herschel
2015-07-28
The efficacy of optimal control of quantum dynamics depends on the topology and associated local structure of the underlying control landscape defined as the objective as a function of the control field. A commonly studied control objective involves maximization of the transition probability for steering the quantum system from one state to another state. This paper invokes landscape Hessian analysis performed at an optimal solution to gain insight into the controlled dynamics, where the Hessian is the second-order functional derivative of the control objective with respect to the control field. Specifically, we consider a quantum system composed of coupled primary and secondary subspaces of energy levels with the initial and target states lying in the primary subspace. The primary and secondary subspaces may arise in various scenarios, for example, respectively, as sub-manifolds of ground and excited electronic states of a poly-atomic molecule, with each possessing a set of rotational-vibrational levels. The control field may engage the system through electric dipole transitions that occur either (I) only in the primary subspace, (II) between the two subspaces, or (III) only in the secondary subspace. Important insights about the resultant dynamics in each case are revealed in the structural patterns of the corresponding Hessian. The Fourier spectrum of the Hessian is shown to often be complementary to mechanistic insights provided by the optimal control field and population dynamics. PMID:26119871
Quantum Dynamics for de Sitter Radiation
Sang Pyo Kim
2012-04-18
We revisit the Hamiltonian formalism for a massive scalar field and study the particle production in a de Sitter space. In the invariant-operator picture the time-dependent annihilation and creation operators are constructed in terms of a complex solution to the classical equation of motion for the field and the Gaussian wave function for each Fourier mode is found which is an exact solution to the Schr\\"odinger equation. The in-out formalism is reformulated by the annihilation and creation operators and the Gaussian wave functions. The de Sitter radiation from the in-out formalism differs from the Gibbons-Hawking radiation in the planar coordinates, and we discuss the discrepancy of the particle production by the two method
Manish K. Gupta; Erik J. Navarro; Todd A. Moulder; Jason D. Mueller; Ashkan Balouchi; Katherine L. Brown; Hwang Lee; Jonathan P. Dowling
2014-12-19
The implementation of polarization-based quantum communication is limited by signal loss and decoherence caused by the birefringence of a single-mode fiber. We investigate the Knill dynamical decoupling scheme, implemented using half-wave plates, to minimize decoherence and show that a fidelity greater than $99\\%$ can be achieved in absence of rotation error and fidelity greater than $96\\%$ can be achieved in presence of rotation error. Such a scheme can be used to preserve any quantum state with high fidelity and has potential application for constructing all optical quantum delay line, quantum memory, and quantum repeater.
Entanglement and quantum discord dynamics of two atoms under practical feedback control
Li Yang; Luo Bin; Guo Hong
2011-07-15
We study the dynamics of two identical atoms resonantly coupled to a single-mode cavity under practical feedback control, and focus on the detection inefficiency. The entanglement is induced to vanish in finite time by the inefficiency of detection. Counterintuitively, the asymptotic entanglement and quantum discord can be increased by the inefficiency of detection. The noise of detection triggers the control field to create entanglement and discord when no photons are emitted from the atoms. Furthermore, sudden change happens to the dynamics of entanglement.
Entanglement and quantum discord dynamics of two atoms under practical feedback control
Li, Yang; Guo, Hong
2011-01-01
We study the dynamics of two identical atoms resonantly coupled to a single-mode cavity under practical feedback control, and focus on the detection inefficiency. The entanglement is induced to vanish in finite time by the inefficiency of detection. Counterintuitively, the asymptotic entanglement and quantum discord can be increased by the inefficiency of detection. The noise of detection triggers control field to create entanglement and discord when no photon are emitted from the atoms. Furthermore, sudden change happens to the dynamics of entanglement.
Dynamics of Quantum Vorticity in a Random Potential
Link, Bennett
2009-04-03
I study the dynamics of a superfluid vortex in a random potential, as in the inner crust of a neutron star. Below a critical flow velocity of the ambient superfluid, a vortex is effectively immobilized by lattice forces even in the limit of zero dissipation. Low-velocity, translatory motion is not dynamically possible, a result with important implications for understanding neutron star precession and the dynamical properties of superfluid nuclear matter.
M. Hossein Partovi
2013-05-22
Using quantum-classical analogies, we find that dynamical pictures of quantum mechanics have precise counterparts in classical mechanics. In particular, the Eulerian and Lagrangian descriptions of fluid dynamics in classical mechanics are the analogs of the Schroedinger and Heisenberg pictures in quantum mechanics, respectively. Similarities between classical and quantum dynamical pictures are explored within the framework of the Koopman-von Neumann formalism. These allow for a natural definition of various dynamical pictures in classical mechanics as well as the application of classical concepts to quantum dynamics. As an illustration, we use the interaction picture to find the classical evolution of an ensemble of particles of equal initial momenta and arbitrary configuration density under the action of a constant force in one dimension. As a second example, we discuss the extension of the ideas of sensitivity to initial conditions and chaos in classical mechanics to quantum mechanics.
Quantum Mechanics Studies of Cellobiose Conformations
Technology Transfer Automated Retrieval System (TEKTRAN)
Three regions of the Phi,Psi space of cellobiose were analyzed with quantum mechanics. A central region, in which most crystal structures are found, was covered by a 9 x 9 grid of 20° increments of Phi and Psi. Besides these 81 constrained minimizations, we studied two central sub-regions and two re...
Non-equilibrium dynamics of isolated quantum systems
NASA Astrophysics Data System (ADS)
Calabrese, Pasquale
2015-03-01
The non-equilibrium dynamics of isolated quantum systems represent a theoretical and experimental challenge raising many fundamental questions with applications to different fields of modern physics. In these proceedings, we briefly review some of the recent findings on the subject, with particular emphasis to the existence of stationary expectation values of local observables and to their statistical mechanics description. It turns out that the appropriate statistical ensemble describing these asymptotic values depends on whether the Hamiltonian governing the time evolution is integrable or not.
Quantum dynamics of non-relativistic particles and isometric embeddings
NASA Astrophysics Data System (ADS)
Saa, Alberto
1997-02-01
We consider, in the framework of constrained systems, the quantum dynamics of non-relativistic particles moving on a d-dimensional Riemannian manifold 0264-9381/14/2/012/img1 isometrically embedded in 0264-9381/14/2/012/img2. This generalizes recent investigations where 0264-9381/14/2/012/img1 has been assumed to be a hypersurface of 0264-9381/14/2/012/img4. We show, contrary to recent claims, that constrained systems theory does not contribute to the elimination of the ambiguities present in the canonical and path integral formulations of the problem. These discrepancies with recent works are discussed.
The Role of Quantum Intramolecular Dynamics in Unimolecular Reactions
NASA Astrophysics Data System (ADS)
Quack, Martin
1990-08-01
The dynamics of unimolecular reactions can be modelled by classical mechanics for the motion of nuclei on Born-Oppenheimer or other effective potential surfaces, by the corresponding quantum mechanical equations of motion and, perhaps, by quantum statistical treatments. In this paper I provide a synopsis of fundamental, qualitatively important effects arising from the quantum nature of intramolecular dynamics, as opposed to classical mechanics, and illustrate these with theoretical predictions and experimental examples from the work of my group in Zurich. These include quantum nonlinearity in infrared (IR) multiphoton excitation and reaction, non-classical wavepacket spreading in the Fermi resonance coupled modes in CHX3 molecules, effects of zero point energy and angular momentum in unimolecular reactions, nuclear spin symmetry conservation and interconversion and the hypothetical effects arising from the violation of parity and time reversal symmetry in unimolecular reactions. Specific applications to experiments include IR laser chemistry of CF3I and CF3Br, IR spectroscopy and dynamics of CHF3 and predissociation spectra and dynamics of H3+. Hamiltonian systems with a finite number of degrees of freedom have traditionally been divided into two types: those with few degrees of freedom, which were supposed to exhibit some kind of regular ordered motion, approximately soluble by hamiltonian perturbation theory, and those with large numbers of degrees of freedom for which the methods of statistical mechanics should be used. The past few decades have seen a complete change of view, affecting almost all practical applications of classical mechanics. The motion of a hamiltonian system is usually neither completely regular nor properly described by statistical mechanics. It exhibits both regular and chaotic motion for different initial conditions, and the transition between the two types of motion as the initial conditions are varied is subtle and complicated. Variational principles, cantori, and their role in determining the transport properties of chaotic motion in hamiltonian systems and modular smoothing, a method for the rapid calculation of critical functions, which form the fractal boundary between regular and chaotic motion, have appeared in Percival (1987, 1990).
Quantum control of orbital and spin dynamics in diamond using ultrafast optical pulses
NASA Astrophysics Data System (ADS)
Heremans, F. Joseph
2015-03-01
Optically addressable spin defects in solid-state materials have shown great potential for applications ranging from metrology to quantum information processing. Many of these experiments require a detailed understanding of the full Hamiltonian dynamics in order to develop precise quantum control. Here we use picosecond resonant optical pulses to investigate the coherent orbital and spin dynamics of the nitrogen-vacancy (NV) center in diamond, over timescales spanning six orders of magnitude. We implement an ultrafast optical pump-probe technique to study the NV center's orbital-doublet, spin-triplet excited state at cryogenic temperatures (T < 20 K), where the excited state becomes stable and optically coherent with the ground state. This technique, coupled with optical polarization selection rules, allows us to probe the coherent orbital dynamics of the NV center's excited state. These experiments reveal dynamics on femtosecond to nanosecond timescales due to the interplay between the ground and excited state orbital levels. This all-optical technique also provides a method to dynamically control the spin state of the NV center by harnessing the excited state structure. Through studying the spin dynamics of the NV center with coherent pulses of light, we are able to rotate the spin state on sub-nanosecond timescales. Furthermore, by tuning the excited-state spin Hamiltonian with an external magnetic field, we demonstrate arbitrary-axis spin rotations through controlled unitary evolution of the spin state. Extending this to the full excited-state manifold, we develop a time-domain quantum tomography technique to precisely map the NV center's excited state Hamiltonian. These techniques generalize to other systems and can be a powerful tool in characterizing and controlling qubits in other optically addressable spin systems. This work is supported by the AFOSR and NSF.
Cyclotron-Bloch dynamics of a quantum particle in a 2D lattice
A. R. Kolovsky; G. Mantica
2010-12-14
This paper studies the quantum dynamics of a charged particle in a 2D square lattice, under the influence of electric and magnetic fields, the former being aligned with one of the lattice axes and the latter perpendicular to the lattice plane. While in free space these dynamics consist of uniform motions in the direction orthogonal to the electric field vector, we find that, in a lattice, this directed drift takes place only for specific initial conditions and for electric field magnitudes smaller than a critical value. Otherwise, the quantum wave--packet spreads ballistically in both directions orthogonal to the electric field. We quantify this ballistic spreading and identify the subspace of initial conditions insuring directed transport with the drift velocity. We also describe the effect of disorder in the system.
Adiabatic elimination of Gaussian subsystems from quantum dynamics under continuous measurement
NASA Astrophysics Data System (ADS)
?ernotík, Ond?ej; Vasilyev, Denis V.; Hammerer, Klemens
2015-07-01
An ever broader range of physical platforms provides the possibility to study and engineer quantum dynamics under continuous measurements. In many experimental arrangements the system of interest is monitored by means of an ancillary device, whose sole purpose is to transduce the signal from the system to the measurement apparatus. Here we present a method of adiabatic elimination when the transducer consists of an arbitrary number of bosonic modes with Gaussian dynamics while the measured object can be any quantum system. Crucially, our approach can cope with the highly relevant case of finite temperature of the transducer, which is not easily achieved with other methods. We show that this approach provides a significant improvement in the readout of superconducting qubits in circuit QED already for a few thermal excitations and makes it possible to adiabatically eliminate optomechanical transducers relevant for frequency conversion between microwave and optical fields.