Quantum work statistics of charged Dirac particles in time-dependent fields

DOE PAGES

Deffner, Sebastian; Saxena, Avadh

2015-09-28

The quantum Jarzynski equality is an important theorem of modern quantum thermodynamics. We show that the Jarzynski equality readily generalizes to relativistic quantum mechanics described by the Dirac equation. After establishing the conceptual framework we solve a pedagogical, yet experimentally relevant, system analytically. As a main result we obtain the exact quantum work distributions for charged particles traveling through a time-dependent vector potential evolving under Schrödinger as well as under Dirac dynamics, and for which the Jarzynski equality is verified. Thus, special emphasis is put on the conceptual and technical subtleties arising from relativistic quantum mechanics.

Exact mapping between different dynamics of isotropically trapped quantum gases

NASA Astrophysics Data System (ADS)

Wamba, Etienne; Pelster, Axel; Anglin, James R.

2016-05-01

Experiments on trapped quantum gases can probe challenging regimes of quantum many-body dynamics, where strong interactions or non-equilibrium states prevent exact theoretical treatment. In this talk, we present a class of exact mappings between all the observables of different experiments, under the experimentally attainable conditions that the gas particles interact via a homogeneously scaling two-body potential which is in general time-dependent, and are confined in an isotropic harmonic trap. We express our result through an identity relating second-quantized field operators in the Heisenberg picture of quantum mechanics which makes it general. It applies to arbitrary measurements on possibly multi-component Bose or Fermi gases in arbitrary initial quantum states, no matter how highly excited or far from equilibrium. We use an example to show how the results of two different and currently feasible experiments can be mapped onto each other by our spacetime transformation. DAMOP sorting category: 6.11 Nonlinear dynamics and out-of-equilibrium trapped gases EW acknowledge the financial support from the Alexander von Humboldt foundation.

Radiation of quantum black holes and modified uncertainty relation

NASA Astrophysics Data System (ADS)

Kamali, A. D.; Pedram, P.

In this paper, using a deformed algebra [X,P] = iℏ/(1 ‑ λ2P2) which is originated from various theories of gravity, we study thermodynamical properties of quantum black holes (BHs) in canonical ensembles. We exactly calculate the modified internal energy, entropy and heat capacity. Moreover, we investigate a tunneling mechanism of massless particle in phase space. In this regard, the tunneling radiation of BH receives new corrections and the exact radiant spectrum is no longer precisely thermal. In addition, we show that our results are compatible with other quantum gravity (QG) approaches.

Quantum Criticality and Black Holes

ScienceCinema

Sachdev, Subir [Harvard University, Cambridge, Massachusetts, United States

2017-12-09

I will describe the behavior of a variety of condensed matter systems in the vicinity of zero temperature quantum phase transitions. There is a remarkable analogy between the hydrodynamics of such systems and the quantum theory of black holes. I will show how insights from this analogy have shed light on recent experiments on the cuprate high temperature superconductors. Studies of new materials and trapped ultracold atoms are yielding new quantum phases, with novel forms of quantum entanglement. Some materials are of technological importance: e.g. high temperature superconductors. Exact solutions via black hole mapping have yielded first exact results for transport coefficients in interacting many-body systems, and were valuable in determining general structure of hydrodynamics. Theory of VBS order and Nernst effect in cuprates. Tabletop 'laboratories for the entire universe': quantum mechanics of black holes, quark-gluon plasma, neutrons stars, and big-bang physics.

Exact relativistic Toda chain eigenfunctions from Separation of Variables and gauge theory

NASA Astrophysics Data System (ADS)

Sciarappa, Antonio

2017-10-01

We provide a proposal, motivated by Separation of Variables and gauge theory arguments, for constructing exact solutions to the quantum Baxter equation associated to the N-particle relativistic Toda chain and test our proposal against numerical results. Quantum Mechanical non-perturbative corrections, essential in order to obtain a sensible solution, are taken into account in our gauge theory approach by considering codimension two defects on curved backgrounds (squashed S 5 and degenerate limits) rather than flat space; this setting also naturally incorporates exact quantization conditions and energy spectrum of the relativistic Toda chain as well as its modular dual structure.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donangelo, R.J.

An integral representation for the classical limit of the quantum mechanical S-matrix is developed and applied to heavy-ion Coulomb excitation and Coulomb-nuclear interference. The method combines the quantum principle of superposition with exact classical dynamics to describe the projectile-target system. A detailed consideration of the classical trajectories and of the dimensionless parameters that characterize the system is carried out. The results are compared, where possible, to exact quantum mechanical calculations and to conventional semiclassical calculations. It is found that in the case of backscattering the classical limit S-matrix method is able to almost exactly reproduce the quantum-mechanical S-matrix elements, andmore » therefore the transition probabilities, even for projectiles as light as protons. The results also suggest that this approach should be a better approximation for heavy-ion multiple Coulomb excitation than earlier semiclassical methods, due to a more accurate description of the classical orbits in the electromagnetic field of the target nucleus. Calculations using this method indicate that the rotational excitation probabilities in the Coulomb-nuclear interference region should be very sensitive to the details of the potential at the surface of the nucleus, suggesting that heavy-ion rotational excitation could constitute a sensitive probe of the nuclear potential in this region. The application to other problems as well as the present limits of applicability of the formalism are also discussed.« less

Entanglement bases and general structures of orthogonal complete bases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhong Zaizhe

2004-10-01

In quantum mechanics and quantum information, to establish the orthogonal bases is a useful means. The existence of unextendible product bases impels us to study the 'entanglement bases' problems. In this paper, the concepts of entanglement bases and exact-entanglement bases are defined, and a theorem about exact-entanglement bases is given. We discuss the general structures of the orthogonal complete bases. Two examples of applications are given. At last, we discuss the problem of transformation of the general structure forms.

Can quantum transition state theory be defined as an exact t = 0+ limit?

NASA Astrophysics Data System (ADS)

Jang, Seogjoo; Voth, Gregory A.

2016-02-01

The definition of the classical transition state theory (TST) as a t → 0+ limit of the flux-side time correlation function relies on the assumption that simultaneous measurement of population and flux is a well defined physical process. However, the noncommutativity of the two measurements in quantum mechanics makes the extension of such a concept to the quantum regime impossible. For this reason, quantum TST (QTST) has been generally accepted as any kind of quantum rate theory reproducing the TST in the classical limit, and there has been a broad consensus that no unique QTST retaining all the properties of TST can be defined. Contrary to this widely held view, Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)] recently suggested that a true QTST can be defined as the exact t → 0+ limit of a certain kind of quantum flux-side time correlation function and that it is equivalent to the ring polymer molecular dynamics (RPMD) TST. This work seeks to question and clarify certain assumptions underlying these suggestions and their implications. First, the time correlation function used by HA as a starting expression is not related to the kinetic rate constant by virtue of linear response theory, which is the first important step in relating a t = 0+ limit to a physically measurable rate. Second, a theoretical analysis calls into question a key step in HA's proof which appears not to rely on an exact quantum mechanical identity. The correction of this makes the true t = 0+ limit of HA's QTST different from the RPMD-TST rate expression, but rather equal to the well-known path integral quantum transition state theory rate expression for the case of centroid dividing surface. An alternative quantum rate expression is then formulated starting from the linear response theory and by applying a recently developed formalism of real time dynamics of imaginary time path integrals [S. Jang, A. V. Sinitskiy, and G. A. Voth, J. Chem. Phys. 140, 154103 (2014)]. It is shown that the t → 0+ limit of the new rate expression vanishes in the exact quantum limit.

Simple One-Dimensional Quantum-Mechanical Model for a Particle Attached to a Surface

ERIC Educational Resources Information Center

Fernandez, Francisco M.

2010-01-01

We present a simple one-dimensional quantum-mechanical model for a particle attached to a surface. It leads to the Schrodinger equation for a harmonic oscillator bounded on one side that we solve in terms of Weber functions and discuss the behaviour of the eigenvalues and eigenfunctions. We derive the virial theorem and other exact relationships…

Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

PubMed

Koner, Debasish; Barrios, Lizandra; González-Lezana, Tomás; Panda, Aditya N

2014-09-21

A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH(+) (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.

The variational method in quantum mechanics: an elementary introduction

NASA Astrophysics Data System (ADS)

Borghi, Riccardo

2018-05-01

Variational methods in quantum mechanics are customarily presented as invaluable techniques to find approximate estimates of ground state energies. In the present paper a short catalogue of different celebrated potential distributions (both 1D and 3D), for which an exact and complete (energy and wavefunction) ground state determination can be achieved in an elementary way, is illustrated. No previous knowledge of calculus of variations is required. Rather, in all presented cases the exact energy functional minimization is achieved by using only a couple of simple mathematical tricks: ‘completion of square’ and integration by parts. This makes our approach particularly suitable for undergraduates. Moreover, the key role played by particle localization is emphasized through the entire analysis. This gentle introduction to the variational method could also be potentially attractive for more expert students as a possible elementary route toward a rather advanced topic on quantum mechanics: the factorization method. Such an unexpected connection is outlined in the final part of the paper.

Quantum Mechanical Noise in a Michelson Interferometer with Nonclassical Inputs: Nonperturbative Treatment

NASA Technical Reports Server (NTRS)

King, Sun-Kun

1996-01-01

The variances of the quantum-mechanical noise in a two-input-port Michelson interferometer within the framework of the Loudon-Ni model were solved exactly in two general cases: (1) one coherent state input and one squeezed state input, and (2) two photon number states inputs. Low intensity limit, exponential decaying signal and the noise due to mixing were discussed briefly.

Variational method for nonconservative field theories: Formulation and two PT-symmetric case examples

NASA Astrophysics Data System (ADS)

Restrepo, Juan; Ciuti, Cristiano; Favero, Ivan

2014-01-01

This Letter investigates a hybrid quantum system combining cavity quantum electrodynamics and optomechanics. The Hamiltonian problem of a photon mode coupled to a two-level atom via a Jaynes-Cummings coupling and to a mechanical mode via radiation pressure coupling is solved analytically. The atom-cavity polariton number operator commutes with the total Hamiltonian leading to an exact description in terms of tripartite atom-cavity-mechanics polarons. We demonstrate the possibility to obtain cooling of mechanical motion at the single-polariton level and describe the peculiar quantum statistics of phonons in such an unconventional regime.

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

PubMed

Liu, Xinzijian; Liu, Jian

2018-03-14

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

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

NASA Astrophysics Data System (ADS)

Liu, Xinzijian; Liu, Jian

2018-03-01

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

EPR: how subtle is the Lord and how is the Lord subtle?

NASA Astrophysics Data System (ADS)

Plotnitsky, Arkady

The article offers a counterargument to the argument of A. Einstein, B. Podolsky and N. Rosen (EPR) concerning the incompleteness, or else nonlocality, of quantum mechanics, based on Bohr's reply to EPR's article. The article also relates argument to the impossibility of exact repetition of quantum events.

Bound state solution of Dirac equation for 3D harmonics oscillator plus trigonometric scarf noncentral potential using SUSY QM approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cari, C., E-mail: carinln@yahoo.com; Suparmi, A., E-mail: carinln@yahoo.com

2014-09-30

Dirac equation of 3D harmonics oscillator plus trigonometric Scarf non-central potential for spin symmetric case is solved using supersymmetric quantum mechanics approach. The Dirac equation for exact spin symmetry reduces to Schrodinger like equation. The relativistic energy and wave function for spin symmetric case are simply obtained using SUSY quantum mechanics method and idea of shape invariance.

Symmetric tops in combined electric fields: Conditional quasisolvability via the quantum Hamilton-Jacobi theory

NASA Astrophysics Data System (ADS)

Schatz, Konrad; Friedrich, Bretislav; Becker, Simon; Schmidt, Burkhard

2018-05-01

We make use of the quantum Hamilton-Jacobi (QHJ) theory to investigate conditional quasisolvability of the quantum symmetric top subject to combined electric fields (symmetric top pendulum). We derive the conditions of quasisolvability of the time-independent Schrödinger equation as well as the corresponding finite sets of exact analytic solutions. We do so for this prototypical trigonometric system as well as for its anti-isospectral hyperbolic counterpart. An examination of the algebraic and numerical spectra of these two systems reveals mutually closely related patterns. The QHJ approach allows us to retrieve the closed-form solutions for the spherical and planar pendula and the Razavy system that had been obtained in our earlier work via supersymmetric quantum mechanics as well as to find a cornucopia of additional exact analytic solutions.

Quantum mechanical calculations of vibrational population inversion in chemical reactions - Numerically exact L-squared-amplitude-density study of the H2Br reactive system

NASA Technical Reports Server (NTRS)

Zhang, Y. C.; Zhang, J. Z. H.; Kouri, D. J.; Haug, K.; Schwenke, D. W.

1988-01-01

Numerically exact, fully three-dimensional quantum mechanicl reactive scattering calculations are reported for the H2Br system. Both the exchange (H + H-prime Br to H-prime + HBr) and abstraction (H + HBR to H2 + Br) reaction channels are included in the calculations. The present results are the first completely converged three-dimensional quantum calculations for a system involving a highly exoergic reaction channel (the abstraction process). It is found that the production of vibrationally hot H2 in the abstraction reaction, and hence the extent of population inversion in the products, is a sensitive function of initial HBr rotational state and collision energy.

Variational method for calculating the binding energy of the base state of an impurity D- centered on a quantum dot of GaAs-Ga1-xAlxAs

NASA Astrophysics Data System (ADS)

Durán-Flórez, F.; Caicedo, L. C.; Gonzalez, J. E.

2018-04-01

In quantum mechanics it is very difficult to obtain exact solutions, therefore, it is necessary to resort to tools and methods that facilitate the calculations of the solutions of these systems, one of these methods is the variational method that consists in proposing a wave function that depend on several parameters that are adjusted to get close to the exact solution. Authors in the past have performed calculations applying this method using exponential and Gaussian orbital functions with linear and quadratic correlation factors. In this paper, a Gaussian function with a linear correlation factor is proposed, for the calculation of the binding energy of an impurity D ‑ centered on a quantum dot of radius r, the Gaussian function is dependent on the radius of the quantum dot.

Probing finite coarse-grained virtual Feynman histories with sequential weak values

NASA Astrophysics Data System (ADS)

Georgiev, Danko; Cohen, Eliahu

2018-05-01

Feynman's sum-over-histories formulation of quantum mechanics has been considered a useful calculational tool in which virtual Feynman histories entering into a coherent quantum superposition cannot be individually measured. Here we show that sequential weak values, inferred by consecutive weak measurements of projectors, allow direct experimental probing of individual virtual Feynman histories, thereby revealing the exact nature of quantum interference of coherently superposed histories. Because the total sum of sequential weak values of multitime projection operators for a complete set of orthogonal quantum histories is unity, complete sets of weak values could be interpreted in agreement with the standard quantum mechanical picture. We also elucidate the relationship between sequential weak values of quantum histories with different coarse graining in time and establish the incompatibility of weak values for nonorthogonal quantum histories in history Hilbert space. Bridging theory and experiment, the presented results may enhance our understanding of both weak values and quantum histories.

Multi-scale Methods in Quantum Field Theory

NASA Astrophysics Data System (ADS)

Polyzou, W. N.; Michlin, Tracie; Bulut, Fatih

2018-05-01

Daubechies wavelets are used to make an exact multi-scale decomposition of quantum fields. For reactions that involve a finite energy that take place in a finite volume, the number of relevant quantum mechanical degrees of freedom is finite. The wavelet decomposition has natural resolution and volume truncations that can be used to isolate the relevant degrees of freedom. The application of flow equation methods to construct effective theories that decouple coarse and fine scale degrees of freedom is examined.

Charge transport model in nanodielectric composites based on quantum tunneling mechanism and dual-level traps

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Guochang; Chen, George, E-mail: gc@ecs.soton.ac.uk, E-mail: sli@mail.xjtu.edu.cn; School of Electronic and Computer Science, University of Southampton, Southampton SO17 1BJ

Charge transport properties in nanodielectrics present different tendencies for different loading concentrations. The exact mechanisms that are responsible for charge transport in nanodielectrics are not detailed, especially for high loading concentration. A charge transport model in nanodielectrics has been proposed based on quantum tunneling mechanism and dual-level traps. In the model, the thermally assisted hopping (TAH) process for the shallow traps and the tunnelling process for the deep traps are considered. For different loading concentrations, the dominant charge transport mechanisms are different. The quantum tunneling mechanism plays a major role in determining the charge conduction in nanodielectrics with high loadingmore » concentrations. While for low loading concentrations, the thermal hopping mechanism will dominate the charge conduction process. The model can explain the observed conductivity property in nanodielectrics with different loading concentrations.« less

Siewert solutions of transcendental equations, generalized Lambert functions and physical applications

NASA Astrophysics Data System (ADS)

Barsan, Victor

2018-05-01

Several classes of transcendental equations, mainly eigenvalue equations associated to non-relativistic quantum mechanical problems, are analyzed. Siewert's systematic approach of such equations is discussed from the perspective of the new results recently obtained in the theory of generalized Lambert functions and of algebraic approximations of various special or elementary functions. Combining exact and approximate analytical methods, quite precise analytical outputs are obtained for apparently untractable problems. The results can be applied in quantum and classical mechanics, magnetism, elasticity, solar energy conversion, etc.

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sinitskiy, Anton V.; Voth, Gregory A., E-mail: gavoth@uchicago.edu

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman’s imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionistmore » perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.« less

A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals.

PubMed

Sinitskiy, Anton V; Voth, Gregory A

2015-09-07

Computational modeling of the condensed phase based on classical statistical mechanics has been rapidly developing over the last few decades and has yielded important information on various systems containing up to millions of atoms. However, if a system of interest contains important quantum effects, well-developed classical techniques cannot be used. One way of treating finite temperature quantum systems at equilibrium has been based on Feynman's imaginary time path integral approach and the ensuing quantum-classical isomorphism. This isomorphism is exact only in the limit of infinitely many classical quasiparticles representing each physical quantum particle. In this work, we present a reductionist perspective on this problem based on the emerging methodology of coarse-graining. This perspective allows for the representations of one quantum particle with only two classical-like quasiparticles and their conjugate momenta. One of these coupled quasiparticles is the centroid particle of the quantum path integral quasiparticle distribution. Only this quasiparticle feels the potential energy function. The other quasiparticle directly provides the observable averages of quantum mechanical operators. The theory offers a simplified perspective on quantum statistical mechanics, revealing its most reductionist connection to classical statistical physics. By doing so, it can facilitate a simpler representation of certain quantum effects in complex molecular environments.

Quantum dynamics of a two-atom-qubit system

NASA Astrophysics Data System (ADS)

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

2009-09-01

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

The Aharonov-Bohm effect and Tonomura et al. experiments: Rigorous results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ballesteros, Miguel; Weder, Ricardo

The Aharonov-Bohm effect is a fundamental issue in physics. It describes the physically important electromagnetic quantities in quantum mechanics. Its experimental verification constitutes a test of the theory of quantum mechanics itself. The remarkable experiments of Tonomura et al. ['Observation of Aharonov-Bohm effect by electron holography', Phys. Rev. Lett 48, 1443 (1982) and 'Evidence for Aharonov-Bohm effect with magnetic field completely shielded from electron wave', Phys. Rev. Lett 56, 792 (1986)] are widely considered as the only experimental evidence of the physical existence of the Aharonov-Bohm effect. Here we give the first rigorous proof that the classical ansatz of Aharonovmore » and Bohm of 1959 ['Significance of electromagnetic potentials in the quantum theory', Phys. Rev. 115, 485 (1959)], that was tested by Tonomura et al., is a good approximation to the exact solution to the Schroedinger equation. This also proves that the electron, that is, represented by the exact solution, is not accelerated, in agreement with the recent experiment of Caprez et al. in 2007 ['Macroscopic test of the Aharonov-Bohm effect', Phys. Rev. Lett. 99, 210401 (2007)], that shows that the results of the Tonomura et al. experiments can not be explained by the action of a force. Under the assumption that the incoming free electron is a Gaussian wave packet, we estimate the exact solution to the Schroedinger equation for all times. We provide a rigorous, quantitative error bound for the difference in norm between the exact solution and the Aharonov-Bohm Ansatz. Our bound is uniform in time. We also prove that on the Gaussian asymptotic state the scattering operator is given by a constant phase shift, up to a quantitative error bound that we provide. Our results show that for intermediate size electron wave packets, smaller than the ones used in the Tonomura et al. experiments, quantum mechanics predicts the results observed by Tonomura et al. with an error bound smaller than 10{sup -99}. It would be quite interesting to perform experiments with electron wave packets of intermediate size. Furthermore, we provide a physical interpretation of our error bound.« less

Lie-algebraic Approach to Dynamics of Closed Quantum Systems and Quantum-to-Classical Correspondence

NASA Astrophysics Data System (ADS)

Galitski, Victor

2012-02-01

I will briefly review our recent work on a Lie-algebraic approach to various non-equilibrium quantum-mechanical problems, which has been motivated by continuous experimental advances in the field of cold atoms. First, I will discuss non-equilibrium driven dynamics of a generic closed quantum system. It will be emphasized that mathematically a non-equilibrium Hamiltonian represents a trajectory in a Lie algebra, while the evolution operator is a trajectory in a Lie group generated by the underlying algebra via exponentiation. This turns out to be a constructive statement that establishes, in particular, the fact that classical and quantum unitary evolutions are two sides of the same coin determined uniquely by the same dynamic generators in the group. An equation for these generators - dubbed dual Schr"odinger-Bloch equation - will be derived and analyzed for a few of specific examples. This non-linear equation allows one to construct new exact non-linear solutions to quantum-dynamical systems. An experimentally-relevant example of a family of exact solutions to the many-body Landau-Zener problem will be presented. One practical application of the latter result includes dynamical means to optimize molecular production rate following a quench across the Feshbach resonance.

Do the Modified Uncertainty Principle and Polymer Quantization predict same physics?

NASA Astrophysics Data System (ADS)

Majumder, Barun; Sen, Sourav

2012-10-01

In this Letter we study the effects of the Modified Uncertainty Principle as proposed in Ali et al. (2009) [5] in simple quantum mechanical systems and study its thermodynamic properties. We have assumed that the quantum particles follow Maxwell-Boltzmann statistics with no spin. We compare our results with the results found in the GUP and polymer quantum mechanical frameworks. Interestingly we find that the corrected thermodynamic entities are exactly the same compared to the polymer results but the length scale considered has a theoretically different origin. Hence we express the need of further study for an investigation whether these two approaches are conceptually connected in the fundamental level.

Computational applications of the many-interacting-worlds interpretation of quantum mechanics.

PubMed

Sturniolo, Simone

2018-05-01

While historically many quantum-mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a great deal of interest has arisen in quantum effects in nuclear dynamics as well. Due to the computational difficulty of solving the Schrödinger equation in full, these effects are often treated with approximate methods. In this paper, we present an algorithm to tackle these problems using an extension to the many-interacting-worlds approach to quantum mechanics. This technique uses a kernel function to rebuild the probability density, and therefore, in contrast with the approximation presented in the original paper, it can be naturally extended to n-dimensional systems. This opens up the possibility of performing quantum ground-state searches with steepest-descent methods, and it could potentially lead to real-time quantum molecular-dynamics simulations. The behavior of the algorithm is studied in different potentials and numbers of dimensions and compared both to the original approach and to exact Schrödinger equation solutions whenever possible.

Nonadiabatic Molecular Dynamics and Orthogonality Constrained Density Functional Theory

NASA Astrophysics Data System (ADS)

Shushkov, Philip Georgiev

The exact quantum dynamics of realistic, multidimensional systems remains a formidable computational challenge. In many chemical processes, however, quantum effects such as tunneling, zero-point energy quantization, and nonadiabatic transitions play an important role. Therefore, approximate approaches that improve on the classical mechanical framework are of special practical interest. We propose a novel ring polymer surface hopping method for the calculation of chemical rate constants. The method blends two approaches, namely ring polymer molecular dynamics that accounts for tunneling and zero-point energy quantization, and surface hopping that incorporates nonadiabatic transitions. We test the method against exact quantum mechanical calculations for a one-dimensional, two-state model system. The method reproduces quite accurately the tunneling contribution to the rate and the distribution of reactants between the electronic states for this model system. Semiclassical instanton theory, an approach related to ring polymer molecular dynamics, accounts for tunneling by the use of periodic classical trajectories on the inverted potential energy surface. We study a model of electron transfer in solution, a chemical process where nonadiabatic events are prominent. By representing the tunneling electron with a ring polymer, we derive Marcus theory of electron transfer from semiclassical instanton theory after a careful analysis of the tunneling mode. We demonstrate that semiclassical instanton theory can recover the limit of Fermi's Golden Rule rate in a low-temperature, deep-tunneling regime. Mixed quantum-classical dynamics treats a few important degrees of freedom quantum mechanically, while classical mechanics describes affordably the rest of the system. But the interface of quantum and classical description is a challenging theoretical problem, especially for low-energy chemical processes. We therefore focus on the semiclassical limit of the coupled nuclear-electronic dynamics. We show that the time-dependent Schrodinger equation for the electrons employed in the widely used fewest switches surface hopping method is applicable only in the limit of nearly identical classical trajectories on the different potential energy surfaces. We propose a short-time decoupling algorithm that restricts the use of the Schrodinger equation only to the interaction regions. We test the short-time approximation on three model systems against exact quantum-mechanical calculations. The approximation improves the performance of the surface hopping approach. Nonadiabatic molecular dynamics simulations require the efficient and accurate computation of ground and excited state potential energy surfaces. Unlike the ground state calculations where standard methods exist, the computation of excited state properties is a challenging task. We employ time-independent density functional theory, in which the excited state energy is represented as a functional of the total density. We suggest an adiabatic-like approximation that simplifies the excited state exchange-correlation functional. We also derive a set of minimal conditions to impose exactly the orthogonality of the excited state Kohn-Sham determinant to the ground state determinant. This leads to an efficient, variational algorithm for the self-consistent optimization of the excited state energy. Finally, we assess the quality of the excitation energies obtained by the new method on a set of 28 organic molecules. The new approach provides results of similar accuracy to time-dependent density functional theory.

Quantum computer games: quantum minesweeper

NASA Astrophysics Data System (ADS)

Gordon, Michal; Gordon, Goren

2010-07-01

The computer game of quantum minesweeper is introduced as a quantum extension of the well-known classical minesweeper. Its main objective is to teach the unique concepts of quantum mechanics in a fun way. Quantum minesweeper demonstrates the effects of superposition, entanglement and their non-local characteristics. While in the classical minesweeper the goal of the game is to discover all the mines laid out on a board without triggering them, in the quantum version there are several classical boards in superposition. The goal is to know the exact quantum state, i.e. the precise layout of all the mines in all the superposed classical boards. The player can perform three types of measurement: a classical measurement that probabilistically collapses the superposition; a quantum interaction-free measurement that can detect a mine without triggering it; and an entanglement measurement that provides non-local information. The application of the concepts taught by quantum minesweeper to one-way quantum computing are also presented.

Faster than classical quantum algorithm for dense formulas of exact satisfiability and occupation problems

NASA Astrophysics Data System (ADS)

Mandrà, Salvatore; Giacomo Guerreschi, Gian; Aspuru-Guzik, Alán

2016-07-01

We present an exact quantum algorithm for solving the Exact Satisfiability problem, which belongs to the important NP-complete complexity class. The algorithm is based on an intuitive approach that can be divided into two parts: the first step consists in the identification and efficient characterization of a restricted subspace that contains all the valid assignments of the Exact Satisfiability; while the second part performs a quantum search in such restricted subspace. The quantum algorithm can be used either to find a valid assignment (or to certify that no solution exists) or to count the total number of valid assignments. The query complexities for the worst-case are respectively bounded by O(\\sqrt{{2}n-{M\\prime }}) and O({2}n-{M\\prime }), where n is the number of variables and {M}\\prime the number of linearly independent clauses. Remarkably, the proposed quantum algorithm results to be faster than any known exact classical algorithm to solve dense formulas of Exact Satisfiability. As a concrete application, we provide the worst-case complexity for the Hamiltonian cycle problem obtained after mapping it to a suitable Occupation problem. Specifically, we show that the time complexity for the proposed quantum algorithm is bounded by O({2}n/4) for 3-regular undirected graphs, where n is the number of nodes. The same worst-case complexity holds for (3,3)-regular bipartite graphs. As a reference, the current best classical algorithm has a (worst-case) running time bounded by O({2}31n/96). Finally, when compared to heuristic techniques for Exact Satisfiability problems, the proposed quantum algorithm is faster than the classical WalkSAT and Adiabatic Quantum Optimization for random instances with a density of constraints close to the satisfiability threshold, the regime in which instances are typically the hardest to solve. The proposed quantum algorithm can be straightforwardly extended to the generalized version of the Exact Satisfiability known as Occupation problem. The general version of the algorithm is presented and analyzed.

Quantum mechanics from Newton's second law and the canonical commutation relation [X, P] = i

NASA Astrophysics Data System (ADS)

Palenik, Mark C.

2014-07-01

Despite the fact that it has been known since the time of Heisenberg that quantum operators obey a quantum version of Newton's laws, students are often told that derivations of quantum mechanics must necessarily follow from the Hamiltonian or Lagrangian formulations of mechanics. Here, we first derive the existing Heisenberg equations of motion from Newton's laws and the uncertainty principle using only the equations F=\\frac{dP}{dt}, P=m\\frac{dV}{dt}, and [X, P] = i. Then, a new expression for the propagator is derived that makes a connection between time evolution in quantum mechanics and the motion of a classical particle under Newton's laws. The propagator is solved for three cases where an exact solution is possible: (1) the free particle; (2) the harmonic oscillator; and (3) a constant force, or linear potential in the standard interpretation. We then show that for a general for a general force F(X), by Taylor expanding X(t) in time, we can use this methodology to reproduce the Feynman path integral formula for the propagator. Such a picture may be useful for students as they make the transition from classical to quantum mechanics and help solidify the equivalence of the Hamiltonian, Lagrangian, and Newtonian pictures of physics in their minds.

Exact, E = 0, classical and quantum solutions for general power-law oscillators

NASA Technical Reports Server (NTRS)

Nieto, Michael Martin; Daboul, Jamil

1995-01-01

For zero energy, E = 0, we derive exact, classical and quantum solutions for all power-law oscillators with potentials V(r) = -gamma/r(exp nu), gamma greater than 0 and -infinity less than nu less than infinity. When the angular momentum is non-zero, these solutions lead to the classical orbits (p(t) = (cos mu(phi(t) - phi(sub 0)t))(exp 1/mu) with mu = nu/2 - 1 does not equal 0. For nu greater than 2, the orbits are bound and go through the origin. We calculate the periods and precessions of these bound orbits, and graph a number of specific examples. The unbound orbits are also discussed in detail. Quantum mechanically, this system is also exactly solvable. We find that when nu is greater than 2 the solutions are normalizable (bound), as in the classical case. Further, there are normalizable discrete, yet unbound, states. They correspond to unbound classical particles which reach infinity in a finite time. Finally, the number of space dimensions of the system can determine whether or not an E = 0 state is bound. These and other interesting comparisons to the classical system will be discussed.

Simple and exact approach to the electronic polarization effect on the solvation free energy: formulation for quantum-mechanical/molecular-mechanical system and its applications to aqueous solutions.

PubMed

Takahashi, Hideaki; Omi, Atsushi; Morita, Akihiro; Matubayasi, Nobuyuki

2012-06-07

We present a simple and exact numerical approach to compute the free energy contribution δμ in solvation due to the electron density polarization and fluctuation of a quantum-mechanical solute in the quantum-mechanical/molecular-mechanical (QM/MM) simulation combined with the theory of the energy representation (QM/MM-ER). Since the electron density fluctuation is responsible for the many-body QM-MM interactions, the standard version of the energy representation method cannot be applied directly. Instead of decomposing the QM-MM polarization energy into the pairwise additive and non-additive contributions, we take sum of the polarization energies in the QM-MM interaction and adopt it as a new energy coordinate for the method of energy representation. Then, it is demonstrated that the free energy δμ can be exactly formulated in terms of the energy distribution functions for the solution and reference systems with respect to this energy coordinate. The benchmark tests were performed to examine the numerical efficiency of the method with respect to the changes in the individual properties of the solvent and the solute. Explicitly, we computed the solvation free energy of a QM water molecule in ambient and supercritical water, and also the free-energy change associated with the isomerization reaction of glycine from neutral to zwitterionic structure in aqueous solution. In all the systems examined, it was demonstrated that the computed free energy δμ agrees with the experimental value, irrespective of the choice of the reference electron density of the QM solute. The present method was also applied to a prototype reaction of adenosine 5'-triphosphate hydrolysis where the effect of the electron density fluctuation is substantial due to the excess charge. It was demonstrated that the experimental free energy of the reaction has been accurately reproduced with the present approach.

On the Treatment of l-changing Proton-hydrogen Rydberg Atom Collisions

NASA Astrophysics Data System (ADS)

Vrinceanu, Daniel; Onofrio, Roberto; Sadeghpour, Hossein

2018-01-01

Energy-conserving, angular momentum-changing collisions between protons and highly excited Rydberg hydrogen atoms are important for precise understanding of the primordial recombination cascade, and the elemental abundance.Early approaches to l-changing collisions used perturbation theory for only dipole-allowed (Δl = ±1) transitions. An exact non-perturbative quantum mechanical treatment is possible, but it comes at computational cost for highly excited Rydberg states. In this note we show how to obtain a semi-classical limit that is accurate and simple, and develop further physical insights afforded by the non-perturbative quantum mechanical treatment.

Non Kolmogorov Probability Models Outside Quantum Mechanics

NASA Astrophysics Data System (ADS)

Accardi, Luigi

2009-03-01

This paper is devoted to analysis of main conceptual problems in the interpretation of QM: reality, locality, determinism, physical state, Heisenberg principle, "deterministic" and "exact" theories, laws of chance, notion of event, statistical invariants, adaptive realism, EPR correlations and, finally, the EPR-chameleon experiment.

Ideal quantum gas in an expanding cavity: nature of nonadiabatic force.

PubMed

Nakamura, K; Avazbaev, S K; Sobirov, Z A; Matrasulov, D U; Monnai, T

2011-04-01

We consider a quantum gas of noninteracting particles confined in the expanding cavity and investigate the nature of the nonadiabatic force which is generated from the gas and acts on the cavity wall. First, with use of the time-dependent canonical transformation, which transforms the expanding cavity to the nonexpanding one, we can define the force operator. Second, applying the perturbative theory, which works when the cavity wall begins to move at time origin, we find that the nonadiabatic force is quadratic in the wall velocity and thereby does not break the time-reversal symmetry, in contrast with general belief. Finally, using an assembly of the transitionless quantum states, we obtain the nonadiabatic force exactly. The exact result justifies the validity of both the definition of the force operator and the issue of the perturbative theory. The mysterious mechanism of nonadiabatic transition with the use of transitionless quantum states is also explained. The study is done for both cases of the hard- and soft-wall confinement with the time-dependent confining length. ©2011 American Physical Society

Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Alexander J.; Center for Nonlinear Studies; Gorshkov, Vyacheslav N.

2014-11-14

Modeling the dynamics of photophysical and (photo)chemical reactions in extended molecular systems is a new frontier for quantum chemistry. Many dynamical phenomena, such as intersystem crossing, non-radiative relaxation, and charge and energy transfer, require a non-adiabatic description which incorporate transitions between electronic states. Additionally, these dynamics are often highly sensitive to quantum coherences and interference effects. Several methods exist to simulate non-adiabatic dynamics; however, they are typically either too expensive to be applied to large molecular systems (10's-100's of atoms), or they are based on ad hoc schemes which may include severe approximations due to inconsistencies in classical and quantummore » mechanics. We present, in detail, an algorithm based on Monte Carlo sampling of the semiclassical time-dependent wavefunction that involves running simple surface hopping dynamics, followed by a post-processing step which adds little cost. The method requires only a few quantities from quantum chemistry calculations, can systematically be improved, and provides excellent agreement with exact quantum mechanical results. Here we show excellent agreement with exact solutions for scattering results of standard test problems. Additionally, we find that convergence of the wavefunction is controlled by complex valued phase factors, the size of the non-adiabatic coupling region, and the choice of sampling function. These results help in determining the range of applicability of the method, and provide a starting point for further improvement.« less

What Exactly is the Information Paradox?

NASA Astrophysics Data System (ADS)

Mathur, S. D.

The black hole information paradox tells us something important about the way quantum mechanics and gravity fit together. In these lectures I try to give a pedagogical review of the essential physics leading to the paradox, using mostly pictures. Hawking's argument is recast as a "theorem": if quantum gravity effects are confined to within a given length scale and the vacuum is assumed to be unique, then there will be information loss. We conclude with a brief summary of how quantum effects in string theory violate the first condition and make the interior of the hole a "fuzzball".

N=2 supersymmetric quantum mechanics of N Lieb-Liniger-Yang bosons on a line

NASA Astrophysics Data System (ADS)

Mateos Guilarte, J.; Moreno Mosquera, A.

2017-02-01

A supersymmetric generalization of the Lieb-Liniger-Yang dynamics governing N massive bosons moving on a line with delta interactions among them at coinciding points is developed. The analysis of the delicate balance between integrability and-supersymmetry, starting from the exactly solvable non-supersymmetric LLY system, is one of the paper main concerns. Two extreme regimes of the N parameter are explored: 1) For few bosons we fall in the realm of supersymmetric quantum mechanics with a short number of degrees of freedom, e.g., the SUSY Pösch-Teller potentials if N = 1 . 2) For large N we deal with supersymmetric extensions of many-body systems in the thermodynamic limit akin, e.g., to the supersymmetric Calogero-Sutherland systems. Emphasis will be put in the investigation of the ground-state structure of these quantum mechanical systems enjoying {N}=2 extended supersymmetry without spoiling integrability. The decision about wether or not supersymmetry is spontaneously broken, a central question in SUSY quantum mechanics determined from the ground-state structure, is another goal of the paper.

Quantum Rotational Effects in Nanomagnetic Systems

NASA Astrophysics Data System (ADS)

O'Keeffe, Michael F.

Quantum tunneling of the magnetic moment in a nanomagnet must conserve the total angular momentum. For a nanomagnet embedded in a rigid body, reversal of the magnetic moment will cause the body to rotate as a whole. When embedded in an elastic environment, tunneling of the magnetic moment will cause local elastic twists of the crystal structure. In this thesis, I will present a theoretical study of the interplay between magnetization and rotations in a variety of nanomagnetic systems which have some degree of rotational freedom. We investigate the effect of rotational freedom on the tunnel splitting of a nanomagnet which is free to rotate about its easy axis. Calculating the exact instanton of the coupled equations of motion shows that mechanical freedom of the particle renormalizes the easy axis anisotropy, increasing the tunnel splitting. To understand magnetization dynamics in free particles, we study a quantum mechanical model of a tunneling spin embedded in a rigid rotor. The exact energy levels for a symmetric rotor exhibit first and second order quantum phase transitions between states with different values the magnetic moment. A quantum phase diagram is obtained in which the magnetic moment depends strongly on the moments of inertia. An intrinsic contribution to decoherence of current oscillations of a flux qubit must come from the angular momentum it transfers to the surrounding body. Within exactly solvable models of a qubit embedded in a rigid body and an elastic medium, we show that slow decoherence is permitted if the solid is macroscopically large. The spin-boson model is one of the simplest representations of a two-level system interacting with a quantum harmonic oscillator, yet has eluded a closed-form solution. I investigate some possible approaches to understanding its spectrum. The Landau-Zener dynamics of a tunneling spin coupled to a torsional resonator show that for certain parameter ranges the system exhibits multiple Landau-Zener transitions. These transitions coincide in time with changes in the oscillator dynamics. A large number of spins on a single oscillator coupled only through the in-phase oscillations behaves as a single large spin, greatly enhancing the spin-phonon coupling.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Longhi, Stefano, E-mail: stefano.longhi@fisi.polimi.it

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

Quantum entanglement of a harmonic oscillator with an electromagnetic field.

PubMed

Makarov, Dmitry N

2018-05-29

At present, there are many methods for obtaining quantum entanglement of particles with an electromagnetic field. Most methods have a low probability of quantum entanglement and not an exact theoretical apparatus based on an approximate solution of the Schrodinger equation. There is a need for new methods for obtaining quantum-entangled particles and mathematically accurate studies of such methods. In this paper, a quantum harmonic oscillator (for example, an electron in a magnetic field) interacting with a quantized electromagnetic field is considered. Based on the exact solution of the Schrodinger equation for this system, it is shown that for certain parameters there can be a large quantum entanglement between the electron and the electromagnetic field. Quantum entanglement is analyzed on the basis of a mathematically exact expression for the Schmidt modes and the Von Neumann entropy.

Fermionic localization of the schwarzian theory

DOE PAGES

Stanford, Douglas; Witten, Edward

2017-10-02

The SYK model is a quantum mechanical model that has been proposed to be holographically dual to a 1 + 1-dimensional model of a quantum black hole. An emergent “gravitational” mode of this model is governed by an unusual action that has been called the Schwarzian action. It governs a reparametrization of a circle. We show that the path integral of the Schwarzian theory is one-loop exact. Here, the argument uses a method of fermionic localization, even though the model itself is purely bosonic.

Fourier's law of heat conduction: quantum mechanical master equation analysis.

PubMed

Wu, Lian-Ao; Segal, Dvira

2008-06-01

We derive the macroscopic Fourier's Law of heat conduction from the exact gain-loss time convolutionless quantum master equation under three assumptions for the interaction kernel. To second order in the interaction, we show that the first two assumptions are natural results of the long time limit. The third assumption can be satisfied by a family of interactions consisting of an exchange effect. The pure exchange model directly leads to energy diffusion in a weakly coupled spin- 12 chain.

On the treatment of ℓ-changing proton-hydrogen Rydberg atom collisions

NASA Astrophysics Data System (ADS)

Vrinceanu, D.; Onofrio, R.; Sadeghpour, H. R.

2017-11-01

Energy-conserving, angular momentum changing collisions between protons and highly excited Rydberg hydrogen atoms are important for precise understanding of atomic recombination at the photon decoupling era and the elemental abundance after primordial nucleosynthesis. Early approaches to ℓ-changing collisions used perturbation theory only for dipole-allowed (Δℓ = ±1) transitions. An exact non-perturbative quantum mechanical treatment is possible, but it comes at a computational cost for highly excited Rydberg states. In this paper, we show how to obtain a semiclassical limit that is accurate and simple, and develop further physical insights afforded by the non-perturbative quantum mechanical treatment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Xin-Ping, E-mail: xuxp@mail.ihep.ac.cn; Ide, Yusuke

In the literature, there are numerous studies of one-dimensional discrete-time quantum walks (DTQWs) using a moving shift operator. However, there is no exact solution for the limiting probability distributions of DTQWs on cycles using a general coin or swapping shift operator. In this paper, we derive exact solutions for the limiting probability distribution of quantum walks using a general coin and swapping shift operator on cycles for the first time. Based on the exact solutions, we show how to generate symmetric quantum walks and determine the condition under which a symmetric quantum walk appears. Our results suggest that choosing various coinmore » and initial state parameters can achieve a symmetric quantum walk. By defining a quantity to measure the variation of symmetry, deviation and mixing time of symmetric quantum walks are also investigated.« less

A new perspective on the functioning of the brain and the mechanisms behind conscious processes

PubMed Central

Keppler, Joachim

2013-01-01

An essential prerequisite for the development of a theory of consciousness is the clarification of the fundamental mechanisms underlying conscious processes. In this article I present an approach that sheds new light on these mechanisms. This approach builds on stochastic electrodynamics (SED), a promising theoretical framework that provides a deeper understanding of quantum systems and reveals the origin of quantum phenomena. I outline the most important concepts and findings of SED and interpret the neurophysiological body of evidence in the context of these findings, indicating that the functioning of the brain rests upon exactly the same principles that are characteristic for quantum systems. On this basis, I construct a new hypothesis on the mechanisms behind conscious processes and discuss the new perspectives this hypothesis opens up for consciousness research. In particular, it offers the possibility of elucidating the relationship between brain and consciousness, of specifying the connection between consciousness and information, and of answering the question of what distinguishes conscious processes from unconscious processes. PMID:23641229

Exact Dynamics via Poisson Process: a unifying Monte Carlo paradigm

NASA Astrophysics Data System (ADS)

Gubernatis, James

2014-03-01

A common computational task is solving a set of ordinary differential equations (o.d.e.'s). A little known theorem says that the solution of any set of o.d.e.'s is exactly solved by the expectation value over a set of arbitary Poisson processes of a particular function of the elements of the matrix that defines the o.d.e.'s. The theorem thus provides a new starting point to develop real and imaginary-time continous-time solvers for quantum Monte Carlo algorithms, and several simple observations enable various quantum Monte Carlo techniques and variance reduction methods to transfer to a new context. I will state the theorem, note a transformation to a very simple computational scheme, and illustrate the use of some techniques from the directed-loop algorithm in context of the wavefunction Monte Carlo method that is used to solve the Lindblad master equation for the dynamics of open quantum systems. I will end by noting that as the theorem does not depend on the source of the o.d.e.'s coming from quantum mechanics, it also enables the transfer of continuous-time methods from quantum Monte Carlo to the simulation of various classical equations of motion heretofore only solved deterministically.

On the minimum quantum requirement of photosynthesis.

PubMed

Zeinalov, Yuzeir

2009-01-01

An analysis of the shape of photosynthetic light curves is presented and the existence of the initial non-linear part is shown as a consequence of the operation of the non-cooperative (Kok's) mechanism of oxygen evolution or the effect of dark respiration. The effect of nonlinearity on the quantum efficiency (yield) and quantum requirement is reconsidered. The essential conclusions are: 1) The non-linearity of the light curves cannot be compensated using suspensions of algae or chloroplasts with high (>1.0) optical density or absorbance. 2) The values of the maxima of the quantum efficiency curves or the values of the minima of the quantum requirement curves cannot be used for estimation of the exact value of the maximum quantum efficiency and the minimum quantum requirement. The estimation of the maximum quantum efficiency or the minimum quantum requirement should be performed only after extrapolation of the linear part at higher light intensities of the quantum requirement curves to "0" light intensity.

JOURNAL SCOPE GUIDELINES: Paper classification scheme

NASA Astrophysics Data System (ADS)

2005-06-01

This scheme is used to clarify the journal's scope and enable authors and readers to more easily locate the appropriate section for their work. For each of the sections listed in the scope statement we suggest some more detailed subject areas which help define that subject area. These lists are by no means exhaustive and are intended only as a guide to the type of papers we envisage appearing in each section. We acknowledge that no classification scheme can be perfect and that there are some papers which might be placed in more than one section. We are happy to provide further advice on paper classification to authors upon request (please email jphysa@iop.org). 1. Statistical physics numerical and computational methods statistical mechanics, phase transitions and critical phenomena quantum condensed matter theory Bose-Einstein condensation strongly correlated electron systems exactly solvable models in statistical mechanics lattice models, random walks and combinatorics field-theoretical models in statistical mechanics disordered systems, spin glasses and neural networks nonequilibrium systems network theory 2. Chaotic and complex systems nonlinear dynamics and classical chaos fractals and multifractals quantum chaos classical and quantum transport cellular automata granular systems and self-organization pattern formation biophysical models 3. Mathematical physics combinatorics algebraic structures and number theory matrix theory classical and quantum groups, symmetry and representation theory Lie algebras, special functions and orthogonal polynomials ordinary and partial differential equations difference and functional equations integrable systems soliton theory functional analysis and operator theory inverse problems geometry, differential geometry and topology numerical approximation and analysis geometric integration computational methods 4. Quantum mechanics and quantum information theory coherent states eigenvalue problems supersymmetric quantum mechanics scattering theory relativistic quantum mechanics semiclassical approximations foundations of quantum mechanics and measurement theory entanglement and quantum nonlocality geometric phases and quantum tomography quantum tunnelling decoherence and open systems quantum cryptography, communication and computation theoretical quantum optics 5. Classical and quantum field theory quantum field theory gauge and conformal field theory quantum electrodynamics and quantum chromodynamics Casimir effect integrable field theory random matrix theory applications in field theory string theory and its developments classical field theory and electromagnetism metamaterials 6. Fluid and plasma theory turbulence fundamental plasma physics kinetic theory magnetohydrodynamics and multifluid descriptions strongly coupled plasmas one-component plasmas non-neutral plasmas astrophysical and dusty plasmas

From quantum affine groups to the exact dynamical correlation function of the Heisenberg model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bougourzi, A.H.; Couture, M.; Kacir, M.

1997-01-20

The exact form factors of the Heisenberg models XXX and XXZ have been recently computed through the quantum affine symmetry of XXZ model in the thermodynamic limit. The authors use them to derive an exact formula for the contribution of two spinons to the dynamical correlation function of XXX model at zero temperature.

Explicit expressions of quantum mechanical rotation operators for spins 1 to 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocakoç, Mehpeyker, E-mail: mkocakoc@cu.edu.tr; Tapramaz, Recep, E-mail: recept@omu.edu.tr

2016-03-25

Quantum mechanical rotation operators are the subject of quantum mechanics, mathematics and pulsed magnetic resonance spectroscopies, namely NMR, EPR and ENDOR. They are also necessary for spin based quantum information systems. The rotation operators of spin 1/2 are well known and can be found in related textbooks. But rotation operators of other spins greater than 1/2 can be found numerically by evaluating the series expansions of exponential operator obtained from Schrödinger equation, or by evaluating Wigner-d formula or by evaluating recently established expressions in polynomial forms discussed in the text. In this work, explicit symbolic expressions of x, y andmore » z components of rotation operators for spins 1 to 2 are worked out by evaluating series expansion of exponential operator for each element of operators and utilizing linear curve fitting process. The procedures gave out exact expressions of each element of the rotation operators. The operators of spins greater than 2 are under study and will be published in a separate paper.« less

Duality constructions from quantum state manifolds

NASA Astrophysics Data System (ADS)

Kriel, J. N.; van Zyl, H. J. R.; Scholtz, F. G.

2015-11-01

The formalism of quantum state space geometry on manifolds of generalised coherent states is proposed as a natural setting for the construction of geometric dual descriptions of non-relativistic quantum systems. These state manifolds are equipped with natural Riemannian and symplectic structures derived from the Hilbert space inner product. This approach allows for the systematic construction of geometries which reflect the dynamical symmetries of the quantum system under consideration. We analyse here in detail the two dimensional case and demonstrate how existing results in the AdS 2 /CF T 1 context can be understood within this framework. We show how the radial/bulk coordinate emerges as an energy scale associated with a regularisation procedure and find that, under quite general conditions, these state manifolds are asymptotically anti-de Sitter solutions of a class of classical dilaton gravity models. For the model of conformal quantum mechanics proposed by de Alfaro et al. [1] the corresponding state manifold is seen to be exactly AdS 2 with a scalar curvature determined by the representation of the symmetry algebra. It is also shown that the dilaton field itself is given by the quantum mechanical expectation values of the dynamical symmetry generators and as a result exhibits dynamics equivalent to that of a conformal mechanical system.

Quantum inertia stops superposition: Scan Quantum Mechanics

NASA Astrophysics Data System (ADS)

Gato-Rivera, Beatriz

2017-08-01

Scan Quantum Mechanics is a novel interpretation of some aspects of quantum mechanics in which the superposition of states is only an approximate effective concept. Quantum systems scan all possible states in the superposition and switch randomly and very rapidly among them. A crucial property that we postulate is quantum inertia, that increases whenever a constituent is added, or the system is perturbed with all kinds of interactions. Once the quantum inertia Iq reaches a critical value Icr for an observable, the switching among its different eigenvalues stops and the corresponding superposition comes to an end, leaving behind a system with a well defined value of that observable. Consequently, increasing the mass, temperature, gravitational strength, etc. of a quantum system increases its quantum inertia until the superposition of states disappears for all the observables and the system transmutes into a classical one. Moreover, the process could be reversible. Entanglement can only occur between quantum systems because an exact synchronization between the switchings of the systems involved must be established in the first place and classical systems do not have any switchings to start with. Future experiments might determine the critical inertia Icr corresponding to different observables, which translates into a critical mass Mcr for fixed environmental conditions as well as critical temperatures, critical electric and magnetic fields, etc. In addition, this proposal implies a new radiation mechanism from astrophysical objects with strong gravitational fields, giving rise to non-thermal synchrotron emission, that could contribute to neutron star formation. Superconductivity, superfluidity, Bose-Einstein condensates, and any other physical phenomena at very low temperatures must be reanalyzed in the light of this interpretation, as well as mesoscopic systems in general.

A Cartoon in One Dimension of the Hydrogen Molecular Ion

ERIC Educational Resources Information Center

Dutta, Sourav; Ganguly, Shreemoyee; Dutta-Roy, Binayak

2008-01-01

To illustrate the basic methodology involved in the quantum mechanics of molecules, a one-dimensional caricature of the hydrogen molecular ion (H[superscript +][subscript 2]) is presented, which is exactly solvable, in the Born-Oppenheimer approximation, in terms of elementary functions. The purpose of the exercise is to elucidate in a simple…

Exact CNOT gates with a single nonlocal rotation for quantum-dot qubits

NASA Astrophysics Data System (ADS)

Pal, Arijeet; Rashba, Emmanuel I.; Halperin, Bertrand I.

2015-09-01

We investigate capacitively-coupled exchange-only two-qubit quantum gates based on quantum dots. For exchange-only coded qubits electron spin S and its projection Sz are exact quantum numbers. Capacitive coupling between qubits, as distinct from interqubit exchange, preserves these quantum numbers. We prove, both analytically and numerically, that conservation of the spins of individual qubits has a dramatic effect on the performance of two-qubit gates. By varying the level splittings of individual qubits, Ja and Jb, and the interqubit coupling time, t , we can find an infinite number of triples (Ja,Jb,t ) for which the two-qubit entanglement, in combination with appropriate single-qubit rotations, can produce an exact cnot gate. This statement is true for practically arbitrary magnitude and form of capacitive interqubit coupling. Our findings promise a large decrease in the number of nonlocal (two-qubit) operations in quantum circuits.

Deriving the exact nonadiabatic quantum propagator in the mapping variable representation.

PubMed

Hele, Timothy J H; Ananth, Nandini

2016-12-22

We derive an exact quantum propagator for nonadiabatic dynamics in multi-state systems using the mapping variable representation, where classical-like Cartesian variables are used to represent both continuous nuclear degrees of freedom and discrete electronic states. The resulting Liouvillian is a Moyal series that, when suitably approximated, can allow for the use of classical dynamics to efficiently model large systems. We demonstrate that different truncations of the exact Liouvillian lead to existing approximate semiclassical and mixed quantum-classical methods and we derive an associated error term for each method. Furthermore, by combining the imaginary-time path-integral representation of the Boltzmann operator with the exact Liouvillian, we obtain an analytic expression for thermal quantum real-time correlation functions. These results provide a rigorous theoretical foundation for the development of accurate and efficient classical-like dynamics to compute observables such as electron transfer reaction rates in complex quantized systems.

Quantum channels from reflections on moving mirrors.

PubMed

Gianfelici, Giulio; Mancini, Stefano

2017-11-16

Light reflection on a mirror can be thought as a simple physical effect. However if this happens when the mirror moves a rich scenario opens up. Here we aim at analyzing it from a quantum communication perspective. In particular, we study the kind of quantum channel that arises from (Gaussian) light reflection upon an accelerating mirror. Two competing mechanisms emerge in such a context, namely photons production by the mirror's motion and interference between modes. As consequence we find out a quantum amplifier channel and quantum lossy channel respectively below and above a threshold frequency (that depends on parameters determining mirror's acceleration). Exactly at the threshold frequency the channel behaves like a purely classical additive channel, while it becomes purely erasure for large frequencies. In addition the time behavior of the channel is analyzed by employing wave packets expansion of the light field.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Curchod, Basile F. E.; Agostini, Federica, E-mail: agostini@mpi-halle.mpg.de; Gross, E. K. U.

Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of the exact factorization of the molecular wavefunction. In particular, we focus our attention on the shape of the time-dependent potential energy surface—the exact surface on which the nuclear dynamics takes place. We use a one-dimensional exactly solvable model to reproduce different conditions for quantum interferences, whose characteristic features already appear in one-dimension. The time-dependent potential energy surface develops complex features when strong interferences are present, in clear contrastmore » to the observed behavior in simple nonadiabatic crossing cases. Nevertheless, independent classical trajectories propagated on the exact time-dependent potential energy surface reasonably conserve a distribution in configuration space that mimics one of the exact nuclear probability densities.« less

Resumming the large-N approximation for time evolving quantum systems

NASA Astrophysics Data System (ADS)

Mihaila, Bogdan; Dawson, John F.; Cooper, Fred

2001-05-01

In this paper we discuss two methods of resumming the leading and next to leading order in 1/N diagrams for the quartic O(N) model. These two approaches have the property that they preserve both boundedness and positivity for expectation values of operators in our numerical simulations. These approximations can be understood either in terms of a truncation to the infinitely coupled Schwinger-Dyson hierarchy of equations, or by choosing a particular two-particle irreducible vacuum energy graph in the effective action of the Cornwall-Jackiw-Tomboulis formalism. We confine our discussion to the case of quantum mechanics where the Lagrangian is L(x,ẋ)=(12)∑Ni=1x˙2i-(g/8N)[∑Ni=1x2i- r20]2. The key to these approximations is to treat both the x propagator and the x2 propagator on similar footing which leads to a theory whose graphs have the same topology as QED with the x2 propagator playing the role of the photon. The bare vertex approximation is obtained by replacing the exact vertex function by the bare one in the exact Schwinger-Dyson equations for the one and two point functions. The second approximation, which we call the dynamic Debye screening approximation, makes the further approximation of replacing the exact x2 propagator by its value at leading order in the 1/N expansion. These two approximations are compared with exact numerical simulations for the quantum roll problem. The bare vertex approximation captures the physics at large and modest N better than the dynamic Debye screening approximation.

Force-field functor theory: classical force-fields which reproduce equilibrium quantum distributions

PubMed Central

Babbush, Ryan; Parkhill, John; Aspuru-Guzik, Alán

2013-01-01

Feynman and Hibbs were the first to variationally determine an effective potential whose associated classical canonical ensemble approximates the exact quantum partition function. We examine the existence of a map between the local potential and an effective classical potential which matches the exact quantum equilibrium density and partition function. The usefulness of such a mapping rests in its ability to readily improve Born-Oppenheimer potentials for use with classical sampling. We show that such a map is unique and must exist. To explore the feasibility of using this result to improve classical molecular mechanics, we numerically produce a map from a library of randomly generated one-dimensional potential/effective potential pairs then evaluate its performance on independent test problems. We also apply the map to simulate liquid para-hydrogen, finding that the resulting radial pair distribution functions agree well with path integral Monte Carlo simulations. The surprising accessibility and transferability of the technique suggest a quantitative route to adapting Born-Oppenheimer potentials, with a motivation similar in spirit to the powerful ideas and approximations of density functional theory. PMID:24790954

Beyond the Quantum

NASA Astrophysics Data System (ADS)

Nieuwenhuizen, Theo M.; Mehmani, Bahar; Špička, Václav; Aghdami, Maryam J.; Khrennikov, Andrei Yu

2007-09-01

pt. A. Introductions. The mathematical basis for deterministic quantum mechanics / G.'t Hooft. What did we learn from quantum gravity? / A. Ashtekar. Bose-Einstein condensates and EPR quantum non-locality / F. Laloe. The quantum measurement process: lessons from an exactly solvable model / A.E. Allahverdyan, R. Balian and Th. M. Nieuwenhuizen -- pt. B. Quantum mechanics and quantum information. POVMs: a small but important step beyond standard quantum mechanics / W. M. de Muynck. State reduction by measurements with a null result / G. Nienhuis. Solving open questions in the Bose-Einstein condensation of an ideal gas via a hybrid mixture of laser and statistical physics / M. Kim, A. Svidzinsky and M.O. Scully. Twin-Photon light scattering and causality / G. Puentes, A. Aiello and J. P. Woerdman. Simultaneous measurement of non-commuting observables / G. Aquino and B. Mehmani. Quantum decoherence and gravitational waves / M.T. Jaekel ... [et al.]. Role of various entropies in the black hole information loss problem / Th. M. Nieuwenhuizen and I.V. Volovich. Quantum and super-quantum correlations / G.S. Jaeger -- pt. C. Long distance correlations and bell inequalities. Understanding long-distance quantum correlations / L. Marchildon. Connection of probability models to EPR experiments: probability spaces and Bell's theorem / K. Hess and W. Philipp. Fair sampling vs no-signalling principle in EPR experiments / G. Adenier and A. Yu. Khrennikov -- pt. D. Mathematical foundations. Where the mathematical structure of quantum mechanics comes from / G.M. D'Ariano. Phase space description of quantum mechanics and non-commutative geometry: Wigner-Moyal and Bohm in a wider context / B.J. Hiley. Quantum mechanics as simple algorithm for approximation of classical integrals / A. Yu. Khrennikov. Noncommutative quantum mechanics viewed from Feynman Formalism / J. Lages ... [et al.]. Beyond the quantum in Snyder space / J.F.S. van Huele and M. K. Transtrum -- pt. E. Stochastic electrodynamics. Some quantum experiments from the point of view of Stochastic electrodynamics / V. Spicka ... [et al.]. On the ergodic behaviour of atomic systems under the action of the zero-point radiation field / L. De La Peña and A. M. Cetto. Inertia and the vacuum-view on the emergence of the inertia reaction force / A. Rueda and H. Sunahata -- pt. F. Models for the electron. Rotating Hopf-Kinks: oscillators in the sense of de Broglie / U. Enz. Kerr-Newman particles: symmetries and other properties / H.I. Arcos and J.G. Pereira. Kerr geometry beyond the quantum theory / Th. M. Nieuwenhuizen -- pt. G. Philosophical considerations. Probability in non-collapse interpretations of a quantum mechanics / D. Dieks. The Schrödinger-Park paradox about the concept of "State" in quantum statistical mechanics and quantum information theory is still open: one more reason to go beyond? / G.P. Beretta. The conjecture that local realism is possible / E. Santos -- pt. H. The round table. Round table discussion / A.M. Cetto ... [et al.].

New exact solutions of the Dirac and Klein-Gordon equations of a charged particle propagating in a strong laser field in an underdense plasma

NASA Astrophysics Data System (ADS)

Varró, Sándor

2014-03-01

Exact solutions are presented of the Dirac and Klein-Gordon equations of a charged particle propagating in a classical monochromatic electromagnetic plane wave in a medium of index of refraction nm<1. In the Dirac case the solutions are expressed in terms of new complex polynomials, and in the Klein-Gordon case the found solutions are expressed in terms of Ince polynomials. In each case they form a doubly infinite set, labeled by two integer quantum numbers. These integer numbers represent quantized momentum components of the charged particle along the polarization vector and along the propagation direction of the electromagnetic radiation. Since this radiation may represent a plasmon wave of arbitrary high amplitude, propagating in an underdense plasma, the solutions obtained may have relevance in describing possible quantum features of novel acceleration mechanisms.

Quantization of the Szekeres system

NASA Astrophysics Data System (ADS)

Paliathanasis, A.; Zampeli, Adamantia; Christodoulakis, T.; Mustafa, M. T.

2018-06-01

We study the quantum corrections on the Szekeres system in the context of canonical quantization in the presence of symmetries. We start from an effective point-like Lagrangian with two integrals of motion, one corresponding to the Hamiltonian and the other to a second rank killing tensor. Imposing their quantum version on the wave function results to a solution which is then interpreted in the context of Bohmian mechanics. In this semiclassical approach, it is shown that there is no quantum corrections, thus the classical trajectories of the Szekeres system are not affected at this level. Finally, we define a probability function which shows that a stationary surface of the probability corresponds to a classical exact solution.

Quantum and classical dissipation of charged particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibarra-Sierra, V.G.; Anzaldo-Meneses, A.; Cardoso, J.L.

2013-08-15

A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases using canonical transformations applied to Hamiltonians for a particle with variable mass. Green’s function is constructed and, from it, the motion of a Gaussian wave packet is studied in detail. -- Highlights: •Hamiltonian of a damped charged particle in time dependent electromagnetic fields. •Exact Green’s function of a charged particle in time dependent electromagnetic fields. •Time evolution of a Gaussian wave packet of a damped charged particle.more » •Classical and quantum dynamics of a damped electric charge.« less

Quantum nonlocality does not exist

PubMed Central

Tipler, Frank J.

2014-01-01

Quantum nonlocality is shown to be an artifact of the Copenhagen interpretation, in which each observed quantity has exactly one value at any instant. In reality, all physical systems obey quantum mechanics, which obeys no such rule. Locality is restored if observed and observer are both assumed to obey quantum mechanics, as in the many-worlds interpretation (MWI). Using the MWI, I show that the quantum side of Bell’s inequality, generally believed nonlocal, is really due to a series of three measurements (not two as in the standard, oversimplified analysis), all three of which have only local effects. Thus, experiments confirming “nonlocality” are actually confirming the MWI. The mistaken interpretation of nonlocality experiments depends crucially on a question-begging version of the Born interpretation, which makes sense only in “collapse” versions of quantum theory, about the meaning of the modulus of the wave function, so I use the interpretation based on the MWI, namely that the wave function is a world density amplitude, not a probability amplitude. This view allows the Born interpretation to be derived directly from the Schrödinger equation, by applying the Schrödinger equation to both the observed and the observer. PMID:25015084

Quantum nonlocality does not exist.

PubMed

Tipler, Frank J

2014-08-05

Quantum nonlocality is shown to be an artifact of the Copenhagen interpretation, in which each observed quantity has exactly one value at any instant. In reality, all physical systems obey quantum mechanics, which obeys no such rule. Locality is restored if observed and observer are both assumed to obey quantum mechanics, as in the many-worlds interpretation (MWI). Using the MWI, I show that the quantum side of Bell's inequality, generally believed nonlocal, is really due to a series of three measurements (not two as in the standard, oversimplified analysis), all three of which have only local effects. Thus, experiments confirming "nonlocality" are actually confirming the MWI. The mistaken interpretation of nonlocality experiments depends crucially on a question-begging version of the Born interpretation, which makes sense only in "collapse" versions of quantum theory, about the meaning of the modulus of the wave function, so I use the interpretation based on the MWI, namely that the wave function is a world density amplitude, not a probability amplitude. This view allows the Born interpretation to be derived directly from the Schrödinger equation, by applying the Schrödinger equation to both the observed and the observer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Generalized quantum Fokker-Planck, diffusion, and Smoluchowski equations with true probability distribution functions.

PubMed

Banik, Suman Kumar; Bag, Bidhan Chandra; Ray, Deb Shankar

2002-05-01

Traditionally, quantum Brownian motion is described by Fokker-Planck or diffusion equations in terms of quasiprobability distribution functions, e.g., Wigner functions. These often become singular or negative in the full quantum regime. In this paper a simple approach to non-Markovian theory of quantum Brownian motion using true probability distribution functions is presented. Based on an initial coherent state representation of the bath oscillators and an equilibrium canonical distribution of the quantum mechanical mean values of their coordinates and momenta, we derive a generalized quantum Langevin equation in c numbers and show that the latter is amenable to a theoretical analysis in terms of the classical theory of non-Markovian dynamics. The corresponding Fokker-Planck, diffusion, and Smoluchowski equations are the exact quantum analogs of their classical counterparts. The present work is independent of path integral techniques. The theory as developed here is a natural extension of its classical version and is valid for arbitrary temperature and friction (the Smoluchowski equation being considered in the overdamped limit).

On mini-superspace limit of boundary three-point function in Liouville field theory

NASA Astrophysics Data System (ADS)

Apresyan, Elena; Sarkissian, Gor

2017-12-01

We study the mini-superspace semiclassical limit of the boundary three-point function in the Liouville field theory. We compute also matrix elements for the Morse potential quantum mechanics. An exact agreement between the former and the latter is found. We show that both of them are given by the generalized hypergeometric functions.

The exact fundamental solution for the Benes tracking problem

NASA Astrophysics Data System (ADS)

Balaji, Bhashyam

2009-05-01

The universal continuous-discrete tracking problem requires the solution of a Fokker-Planck-Kolmogorov forward equation (FPKfe) for an arbitrary initial condition. Using results from quantum mechanics, the exact fundamental solution for the FPKfe is derived for the state model of arbitrary dimension with Benes drift that requires only the computation of elementary transcendental functions and standard linear algebra techniques- no ordinary or partial differential equations need to be solved. The measurement process may be an arbitrary, discrete-time nonlinear stochastic process, and the time step size can be arbitrary. Numerical examples are included, demonstrating its utility in practical implementation.

Is quantum theory a form of statistical mechanics?

NASA Astrophysics Data System (ADS)

Adler, S. L.

2007-05-01

We give a review of the basic themes of my recent book: Adler S L 2004 Quantum Theory as an Emergent Phenomenon (Cambridge: Cambridge University Press). We first give motivations for considering the possibility that quantum mechanics is not exact, but is instead an accurate asymptotic approximation to a deeper level theory. For this deeper level, we propose a non-commutative generalization of classical mechanics, that we call "trace dynamics", and we give a brief survey of how it works, considering for simplicity only the bosonic case. We then discuss the statistical mechanics of trace dynamics and give our argument that with suitable approximations, the Ward identities for trace dynamics imply that ensemble averages in the canonical ensemble correspond to Wightman functions in quantum field theory. Thus, quantum theory emerges as the statistical thermodynamics of trace dynamics. Finally, we argue that Brownian motion corrections to this thermodynamics lead to stochastic corrections to the Schrödinger equation, of the type that have been much studied in the "continuous spontaneous localization" model of objective state vector reduction. In appendices to the talk, we give details of the existence of a conserved operator in trace dynamics that encodes the structure of the canonical algebra, of the derivation of the Ward identities, and of the proof that the stochastically-modified Schrödinger equation leads to state vector reduction with Born rule probabilities.

A comparative study of different methods for calculating electronic transition rates

NASA Astrophysics Data System (ADS)

Kananenka, Alexei A.; Sun, Xiang; Schubert, Alexander; Dunietz, Barry D.; Geva, Eitan

2018-03-01

We present a comprehensive comparison of the following mixed quantum-classical methods for calculating electronic transition rates: (1) nonequilibrium Fermi's golden rule, (2) mixed quantum-classical Liouville method, (3) mean-field (Ehrenfest) mixed quantum-classical method, and (4) fewest switches surface-hopping method (in diabatic and adiabatic representations). The comparison is performed on the Garg-Onuchic-Ambegaokar benchmark charge-transfer model, over a broad range of temperatures and electronic coupling strengths, with different nonequilibrium initial states, in the normal and inverted regimes. Under weak to moderate electronic coupling, the nonequilibrium Fermi's golden rule rates are found to be in good agreement with the rates obtained via the mixed quantum-classical Liouville method that coincides with the fully quantum-mechanically exact results for the model system under study. Our results suggest that the nonequilibrium Fermi's golden rule can serve as an inexpensive yet accurate alternative to Ehrenfest and the fewest switches surface-hopping methods.

Does Bohm's Quantum Force Have a Classical Origin?

NASA Astrophysics Data System (ADS)

Lush, David C.

2016-08-01

In the de Broglie-Bohm formulation of quantum mechanics, the electron is stationary in the ground state of hydrogenic atoms, because the quantum force exactly cancels the Coulomb attraction of the electron to the nucleus. In this paper it is shown that classical electrodynamics similarly predicts the Coulomb force can be effectively canceled by part of the magnetic force that occurs between two similar particles each consisting of a point charge moving with circulatory motion at the speed of light. Supposition of such motion is the basis of the Zitterbewegung interpretation of quantum mechanics. The magnetic force between two luminally-circulating charges for separation large compared to their circulatory motions contains a radial inverse square law part with magnitude equal to the Coulomb force, sinusoidally modulated by the phase difference between the circulatory motions. When the particles have equal mass and their circulatory motions are aligned but out of phase, part of the magnetic force is equal but opposite the Coulomb force. This raises a possibility that the quantum force of Bohmian mechanics may be attributable to the magnetic force of classical electrodynamics. It is further shown that relative motion between the particles leads to modulation of the magnetic force with spatial period equal to the de Broglie wavelength.

Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients.

PubMed

Yamamoto, Takeshi

2008-12-28

Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean field of the environment. In this paper a direct quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field theory is formulated based on variational and perturbative frameworks. In the variational framework, an appropriate QM/MM free energy functional is defined and is minimized in terms of the trial wavefunction that best approximates the true QM wavefunction in a statistically averaged sense. Analytical free energy gradient is obtained, which takes the form of the gradient of effective QM energy calculated in the averaged MM potential. In the perturbative framework, the above variational procedure is shown to be equivalent to the first-order expansion of the QM energy (in the exact free energy expression) about the self-consistent reference field. This helps understand the relation between the variational procedure and the exact QM/MM free energy as well as existing QM/MM theories. Based on this, several ways are discussed for evaluating non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction) that are neglected in the mean-field calculation. As an illustration, the method is applied to an S(N)2 Menshutkin reaction in water, NH(3)+CH(3)Cl-->NH(3)CH(3) (+)+Cl(-), for which free energy profiles are obtained at the Hartree-Fock, MP2, B3LYP, and BHHLYP levels by integrating the free energy gradient. Non-mean-field effects are evaluated to be <0.5 kcal/mol using a Gaussian fluctuation model for the environment, which suggests that those effects are rather small for the present reaction in water.

Dual Vector Spaces and Physical Singularities

NASA Astrophysics Data System (ADS)

Rowlands, Peter

Though we often refer to 3-D vector space as constructed from points, there is no mechanism from within its definition for doing this. In particular, space, on its own, cannot accommodate the singularities that we call fundamental particles. This requires a commutative combination of space as we know it with another 3-D vector space, which is dual to the first (in a physical sense). The combination of the two spaces generates a nilpotent quantum mechanics/quantum field theory, which incorporates exact supersymmetry and ultimately removes the anomalies due to self-interaction. Among the many natural consequences of the dual space formalism are half-integral spin for fermions, zitterbewegung, Berry phase and a zero norm Berwald-Moor metric for fermionic states.

Exact solution of the relativistic quantum Toda chain

NASA Astrophysics Data System (ADS)

Zhang, Xin; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

2017-03-01

The relativistic quantum Toda chain model is studied with the generalized algebraic Bethe Ansatz method. By employing a set of local gauge transformations, proper local vacuum states can be obtained for this model. The exact spectrum and eigenstates of the model are thus constructed simultaneously.

Quantum mechanics in rotating-radio-frequency traps and Penning traps with a quadrupole rotating field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abe, K.; Hasegawa, T.

2010-03-15

Quantum-mechanical analysis of ion motion in a rotating-radio-frequency (rrf) trap or in a Penning trap with a quadrupole rotating field is carried out. Rrf traps were introduced by Hasegawa and Bollinger [Phys. Rev. A 72, 043404 (2005)]. The classical motion of a single ion in this trap is described by only trigonometric functions, whereas in the conventional linear radio-frequency (rf) traps it is by the Mathieu functions. Because of the simple classical motion in the rrf trap, it is expected that the quantum-mechanical analysis of the rrf traps is also simple compared to that of the linear rf traps. Themore » analysis of Penning traps with a quadrupole rotating field is also possible in a way similar to the rrf traps. As a result, the Hamiltonian in these traps is the same as the two-dimensional harmonic oscillator, and energy levels and wave functions are derived as exact results. In these traps, it is found that one of the vibrational modes in the rotating frame can have negative energy levels, which means that the zero-quantum-number state (''ground'' state) is the highest energy state.« less

Heisenberg-Langevin versus quantum master equation

NASA Astrophysics Data System (ADS)

Boyanovsky, Daniel; Jasnow, David

2017-12-01

The quantum master equation is an important tool in the study of quantum open systems. It is often derived under a set of approximations, chief among them the Born (factorization) and Markov (neglect of memory effects) approximations. In this article we study the paradigmatic model of quantum Brownian motion of a harmonic oscillator coupled to a bath of oscillators with a Drude-Ohmic spectral density. We obtain analytically the exact solution of the Heisenberg-Langevin equations, with which we study correlation functions in the asymptotic stationary state. We compare the exact correlation functions to those obtained in the asymptotic long time limit with the quantum master equation in the Born approximation with and without the Markov approximation. In the latter case we implement a systematic derivative expansion that yields the exact asymptotic limit under the factorization approximation only. We find discrepancies that could be significant when the bandwidth of the bath Λ is much larger than the typical scales of the system. We study the exact interaction energy as a proxy for the correlations missed by the Born approximation and find that its dependence on Λ is similar to the discrepancy between the exact solution and that of the quantum master equation in the Born approximation. We quantify the regime of validity of the quantum master equation in the Born approximation with or without the Markov approximation in terms of the system's relaxation rate γ , its unrenormalized natural frequency Ω and Λ : γ /Ω ≪1 and also γ Λ /Ω2≪1 . The reliability of the Born approximation is discussed within the context of recent experimental settings and more general environments.

Impurity-induced tuning of quantum-well States in spin-dependent resonant tunneling.

PubMed

Kalitsov, Alan; Coho, A; Kioussis, Nicholas; Vedyayev, Anatoly; Chshiev, M; Granovsky, A

2004-07-23

We report exact model calculations of the spin-dependent tunneling in double magnetic tunnel junctions in the presence of impurities in the well. We show that the impurity can tune selectively the spin channels giving rise to a wide variety of interesting and novel transport phenomena. The tunneling magnetoresistance, the spin polarization, and the local current can be dramatically enhanced or suppressed by impurities. The underlying mechanism is the impurity-induced shift of the quantum well states (QWSs), which depends on the impurity potential, impurity position, and the symmetry of the QWS. Copyright 2004 The American Physical Society

Entanglement Entropy of Eigenstates of Quantum Chaotic Hamiltonians.

PubMed

Vidmar, Lev; Rigol, Marcos

2017-12-01

In quantum statistical mechanics, it is of fundamental interest to understand how close the bipartite entanglement entropy of eigenstates of quantum chaotic Hamiltonians is to maximal. For random pure states in the Hilbert space, the average entanglement entropy is known to be nearly maximal, with a deviation that is, at most, a constant. Here we prove that, in a system that is away from half filling and divided in two equal halves, an upper bound for the average entanglement entropy of random pure states with a fixed particle number and normally distributed real coefficients exhibits a deviation from the maximal value that grows with the square root of the volume of the system. Exact numerical results for highly excited eigenstates of a particle number conserving quantum chaotic model indicate that the bound is saturated with increasing system size.

On a Lagrange-Hamilton formalism describing position and momentum uncertainties

NASA Technical Reports Server (NTRS)

Schuch, Dieter

1993-01-01

According to Heisenberg's uncertainty relation, in quantum mechanics it is not possible to determine, simultaneously, exact values for the position and the momentum of a material system. Calculating the mean value of the Hamiltonian operator with the aid of exact analytic Gaussian wave packet solutions, these uncertainties cause an energy contribution additional to the classical energy of the system. For the harmonic oscillator, e.g., this nonclassical energy represents the ground state energy. It will be shown that this additional energy contribution can be considered as a Hamiltonian function, if it is written in appropriate variables. With the help of the usual Lagrange-Hamilton formalism known from classical particle mechanics, but now considering this new Hamiltonian function, it is possible to obtain the equations of motion for position and momentum uncertainties.

Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids.

PubMed

Boehme, Simon C; Azpiroz, Jon Mikel; Aulin, Yaroslav V; Grozema, Ferdinand C; Vanmaekelbergh, Daniël; Siebbeles, Laurens D A; Infante, Ivan; Houtepen, Arjan J

2015-05-13

Charge trapping is an ubiquitous process in colloidal quantum-dot solids and a major limitation to the efficiency of quantum dot based devices such as solar cells, LEDs, and thermoelectrics. Although empirical approaches led to a reduction of trapping and thereby efficiency enhancements, the exact chemical nature of the trapping mechanism remains largely unidentified. In this study, we determine the density of trap states in CdTe quantum-dot solids both experimentally, using a combination of electrochemical control of the Fermi level with ultrafast transient absorption and time-resolved photoluminescence spectroscopy, and theoretically, via density functional theory calculations. We find a high density of very efficient electron traps centered ∼0.42 eV above the valence band. Electrochemical filling of these traps increases the electron lifetime and the photoluminescence quantum yield by more than an order of magnitude. The trapping rate constant for holes is an order of magnitude lower that for electrons. These observations can be explained by Auger-mediated electron trapping. From density functional theory calculations we infer that the traps are formed by dicoordinated Te atoms at the quantum dot surface. The combination of our unique experimental determination of the density of trap states with the theoretical modeling of the quantum dot surface allows us to identify the trapping mechanism and chemical reaction at play during charge trapping in these quantum dots.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Xiaoyao; Hall, Randall W.; Löffler, Frank

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H2O, N2, and F2 molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of other quantum chemical methodsmore » and to exact diagonalization. Our findings demonstrate that the SiLK method is accurate and reduces or eliminates the minus sign problem.« less

Violation of the second law of thermodynamics in the quantum microworld

NASA Astrophysics Data System (ADS)

Čápek, V.; Bok, J.

2001-02-01

One of the previously reported linear models of open quantum systems (interacting with a single thermal bath but otherwise not aided from outside) endowed with the faculty of spontaneous self-organization challenging standard thermodynamics is reconstructed here. It is then able to produce, in a cyclic manner, a useful (this time mechanical) work at the cost of just thermal energy in the bath whose quanta get properly in-phased. This means perpetuum mobile of the second kind explicitly violating the second law in its Thomson formulation. No approximations can be made responsible for the effect as a special scaling procedure is used that makes the chosen kinetic theory exact. The effect is purely quantum and disappears in the classical limit.

Quantum phases of spinful Fermi gases in optical cavities

NASA Astrophysics Data System (ADS)

Colella, E.; Citro, R.; Barsanti, M.; Rossini, D.; Chiofalo, M.-L.

2018-04-01

We explore the quantum phases emerging from the interplay between spin and motional degrees of freedom of a one-dimensional quantum fluid of spinful fermionic atoms, effectively interacting via a photon-mediating mechanism with tunable sign and strength g , as it can be realized in present-day experiments with optical cavities. We find the emergence, in the very same system, of spin- and atomic-density wave ordering, accompanied by the occurrence of superfluidity for g >0 , while cavity photons are seen to drive strong correlations at all g values, with fermionic character for g >0 , and bosonic character for g <0 . Due to the long-range nature of interactions, to infer these results we combine mean-field and exact-diagonalization methods supported by bosonization analysis.

Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

NASA Astrophysics Data System (ADS)

Zhou, Chi-Chun; Dai, Wu-Sheng

2018-02-01

In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

A quantum dynamical study of the He++2He-->He2++He reaction

NASA Astrophysics Data System (ADS)

Xie, Junkai; Poirier, Bill; Gellene, Gregory I.

2003-11-01

The temperature dependent rate of the He++2He→He2++He three-body association reaction is studied using two complementary quantum dynamical models. Model I presumes a two-step, reverse Lindemann mechanism, where the intermediate energized complex, He2+*, is interpreted as the rotational resonance states of He2+. The energy and width of these resonances are determined via "exact" quantum calculation using highly accurate potential-energy curves. Model II uses an alternate quantum rate expression as the thermal average of the cumulative recombination probability, N(E). This microcanonical quantity is computed approximately, over the He2+ space only, with the third-body interaction modeled using a special type of absorbing potential. Because Model II implicitly incorporates both the two-step reverse Lindemann mechanism, and a one-step, reverse collision induced dissociation mechanism, the relative importance of the two formation mechanisms can be estimated by a comparison of the Model I and Model II results. For T<300 K, the reaction is found to be dominated by the two-step mechanism, and a formation rate in good agreement with the available experimental results is obtained with essentially no adjustable parameters in the theory. Interestingly, a nonmonotonic He2+ formation rate is observed, with a maximum identified near 25 K. This maximum is associated with just two reaction intermediate resonance states, the lowest energy states that can contribute significantly to the formation kinetics.

Exact Solution of a Two-Species Quantum Dimer Model for Pseudogap Metals

NASA Astrophysics Data System (ADS)

Feldmeier, Johannes; Huber, Sebastian; Punk, Matthias

2018-05-01

We present an exact ground state solution of a quantum dimer model introduced by Punk, Allais, and Sachdev [Quantum dimer model for the pseudogap metal, Proc. Natl. Acad. Sci. U.S.A. 112, 9552 (2015)., 10.1073/pnas.1512206112], which features ordinary bosonic spin-singlet dimers as well as fermionic dimers that can be viewed as bound states of spinons and holons in a hole-doped resonating valence bond liquid. Interestingly, this model captures several essential properties of the metallic pseudogap phase in high-Tc cuprate superconductors. We identify a line in parameter space where the exact ground state wave functions can be constructed at an arbitrary density of fermionic dimers. At this exactly solvable line the ground state has a huge degeneracy, which can be interpreted as a flat band of fermionic excitations. Perturbing around the exactly solvable line, this degeneracy is lifted and the ground state is a fractionalized Fermi liquid with a small pocket Fermi surface in the low doping limit.

Entangled quantum electronic wavefunctions of the Mn₄CaO₅ cluster in photosystem II.

PubMed

Kurashige, Yuki; Chan, Garnet Kin-Lic; Yanai, Takeshi

2013-08-01

It is a long-standing goal to understand the reaction mechanisms of catalytic metalloenzymes at an entangled many-electron level, but this is hampered by the exponential complexity of quantum mechanics. Here, by exploiting the special structure of physical quantum states and using the density matrix renormalization group, we compute near-exact many-electron wavefunctions of the Mn4CaO5 cluster of photosystem II, with more than 1 × 10(18) quantum degrees of freedom. This is the first treatment of photosystem II beyond the single-electron picture of density functional theory. Our calculations support recent modifications to the structure determined by X-ray crystallography. We further identify multiple low-lying energy surfaces associated with the structural distortion seen using X-ray crystallography, highlighting multistate reactivity in the chemistry of the cluster. Direct determination of Mn spin-projections from our wavefunctions suggests that current candidates that have been recently distinguished using parameterized spin models should be reassessed. Through entanglement maps, we reveal rich information contained in the wavefunctions on bonding changes in the cycle.

Operator Spreading in Random Unitary Circuits

NASA Astrophysics Data System (ADS)

Nahum, Adam; Vijay, Sagar; Haah, Jeongwan

2018-04-01

Random quantum circuits yield minimally structured models for chaotic quantum dynamics, which are able to capture, for example, universal properties of entanglement growth. We provide exact results and coarse-grained models for the spreading of operators by quantum circuits made of Haar-random unitaries. We study both 1 +1 D and higher dimensions and argue that the coarse-grained pictures carry over to operator spreading in generic many-body systems. In 1 +1 D , we demonstrate that the out-of-time-order correlator (OTOC) satisfies a biased diffusion equation, which gives exact results for the spatial profile of the OTOC and determines the butterfly speed vB. We find that in 1 +1 D , the "front" of the OTOC broadens diffusively, with a width scaling in time as t1 /2. We address fluctuations in the OTOC between different realizations of the random circuit, arguing that they are negligible in comparison to the broadening of the front within a realization. Turning to higher dimensions, we show that the averaged OTOC can be understood exactly via a remarkable correspondence with a purely classical droplet growth problem. This implies that the width of the front of the averaged OTOC scales as t1 /3 in 2 +1 D and as t0.240 in 3 +1 D (exponents of the Kardar-Parisi-Zhang universality class). We support our analytic argument with simulations in 2 +1 D . We point out that, in two or higher spatial dimensions, the shape of the spreading operator at late times is affected by underlying lattice symmetries and, in general, is not spherical. However, when full spatial rotational symmetry is present in 2 +1 D , our mapping implies an exact asymptotic form for the OTOC, in terms of the Tracy-Widom distribution. For an alternative perspective on the OTOC in 1 +1 D , we map it to the partition function of an Ising-like statistical mechanics model. As a result of special structure arising from unitarity, this partition function reduces to a random walk calculation which can be performed exactly. We also use this mapping to give exact results for entanglement growth in 1 +1 D circuits.

Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase.

PubMed

Rossi, Mariana; Liu, Hanchao; Paesani, Francesco; Bowman, Joel; Ceriotti, Michele

2014-11-14

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be traced down to two approaches: methods that treat a small subset of the degrees of freedom with rigorous quantum mechanics, considering the rest of the system as a static or classical environment, and methods that treat the whole system quantum mechanically, but using approximate dynamics. Here, we perform a systematic comparison between these two philosophies for the description of quantum effects in vibrational spectroscopy, taking the Embedded Local Monomer model and a mixed quantum-classical model as representatives of the first family of methods, and centroid molecular dynamics and thermostatted ring polymer molecular dynamics as examples of the latter. We use as benchmarks D2O doped with HOD and pure H2O at three distinct thermodynamic state points (ice Ih at 150 K, and the liquid at 300 K and 600 K), modeled with the simple q-TIP4P/F potential energy and dipole moment surfaces. With few exceptions the different techniques yield IR absorption frequencies that are consistent with one another within a few tens of cm(-1). Comparison with classical molecular dynamics demonstrates the importance of nuclear quantum effects up to the highest temperature, and a detailed discussion of the discrepancies between the various methods let us draw some (circumstantial) conclusions about the impact of the very different approximations that underlie them. Such cross validation between radically different approaches could indicate a way forward to further improve the state of the art in simulations of condensed-phase quantum dynamics.

Quantum trajectory analysis of multimode subsystem-bath dynamics.

PubMed

Wyatt, Robert E; Na, Kyungsun

2002-01-01

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

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

PubMed

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

2015-06-28

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

Temperature equilibration rate with Fermi-Dirac statistics.

PubMed

Brown, Lowell S; Singleton, Robert L

2007-12-01

We calculate analytically the electron-ion temperature equilibration rate in a fully ionized, weakly to moderately coupled plasma, using an exact treatment of the Fermi-Dirac electrons. The temperature is sufficiently high so that the quantum-mechanical Born approximation to the scattering is valid. It should be emphasized that we do not build a model of the energy exchange mechanism, but rather, we perform a systematic first principles calculation of the energy exchange. At the heart of this calculation lies the method of dimensional continuation, a technique that we borrow from quantum field theory and use in a different fashion to regulate the kinetic equations in a consistent manner. We can then perform a systematic perturbation expansion and thereby obtain a finite first-principles result to leading and next-to-leading order. Unlike model building, this systematic calculation yields an estimate of its own error and thus prescribes its domain of applicability. The calculational error is small for a weakly to moderately coupled plasma, for which our result is nearly exact. It should also be emphasized that our calculation becomes unreliable for a strongly coupled plasma, where the perturbative expansion that we employ breaks down, and one must then utilize model building and computer simulations. Besides providing different and potentially useful results, we use this calculation as an opportunity to explain the method of dimensional continuation in a pedagogical fashion. Interestingly, in the regime of relevance for many inertial confinement fusion experiments, the degeneracy corrections are comparable in size to the subleading quantum correction below the Born approximation. For consistency, we therefore present this subleading quantum-to-classical transition correction in addition to the degeneracy correction.

Bayesian view of single-qubit clocks, and an energy versus accuracy tradeoff

NASA Astrophysics Data System (ADS)

Gopalkrishnan, Manoj; Kandula, Varshith; Sriram, Praveen; Deshpande, Abhishek; Muralidharan, Bhaskaran

2017-09-01

We bring a Bayesian approach to the analysis of clocks. Using exponential distributions as priors for clocks, we analyze how well one can keep time with a single qubit freely precessing under a magnetic field. We find that, at least with a single qubit, quantum mechanics does not allow exact timekeeping, in contrast to classical mechanics, which does. We find the design of the single-qubit clock that leads to maximum accuracy. Further, we find an energy versus accuracy tradeoff—the energy cost is at least kBT times the improvement in accuracy as measured by the entropy reduction in going from the prior distribution to the posterior distribution. We propose a physical realization of the single-qubit clock using charge transport across a capacitively coupled quantum dot.

Time Operator in Relativistic Quantum Mechanics

NASA Astrophysics Data System (ADS)

Khorasani, Sina

2017-07-01

It is first shown that the Dirac’s equation in a relativistic frame could be modified to allow discrete time, in agreement to a recently published upper bound. Next, an exact self-adjoint 4 × 4 relativistic time operator for spin-1/2 particles is found and the time eigenstates for the non-relativistic case are obtained and discussed. Results confirm the quantum mechanical speculation that particles can indeed occupy negative energy levels with vanishingly small but non-zero probablity, contrary to the general expectation from classical physics. Hence, Wolfgang Pauli’s objection regarding the existence of a self-adjoint time operator is fully resolved. It is shown that using the time operator, a bosonic field referred here to as energons may be created, whose number state representations in non-relativistic momentum space can be explicitly found.

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

PubMed

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

2018-04-21

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Anisotropic exchange interaction induced by a single photon in semiconductor microcavities

NASA Astrophysics Data System (ADS)

Chiappe, G.; Fernández-Rossier, J.; Louis, E.; Anda, E. V.

2005-12-01

We investigate coupling of localized spins in a semiconductor quantum dot embedded in a microcavity. The lowest cavity mode and the quantum dot exciton are coupled and close in energy, forming a polariton. The fermions forming the exciton interact with localized spins via exchange. Exact diagonalization of a Hamiltonian in which photons, spins, and excitons are treated quantum mechanically shows that a single polariton induces a sizable indirect anisotropic exchange interaction between spins. At sufficiently low temperatures strong ferromagnetic correlations show up without an appreciable increase in exciton population. In the case of a (Cd,Mn)Te quantum dot, Mn-Mn ferromagnetic coupling is still significant at 1 K : spin-spin correlation around 3 for exciton occupation smaller than 0.3. We find that the interaction mediated by photon-polaritons is 10 times stronger than the one induced by a classical field for equal Rabi splitting.

The analytical transfer matrix method for PT-symmetric complex potential

NASA Astrophysics Data System (ADS)

Naceri, Leila; Hammou, Amine B.

2017-07-01

We have extended the analytical transfer matrix (ATM) method to solve quantum mechanical bound state problems with complex PT-symmetric potentials. Our work focuses on a class of models studied by Bender and Jones, we calculate the energy eigenvalues, discuss the critical values of g and compare the results with those obtained from other methods such as exact numerical computation and WKB approximation method.

Electron energy can oscillate near a crystal dislocation

DOE PAGES

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.; ...

2017-01-25

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Two-time correlation function of an open quantum system in contact with a Gaussian reservoir

NASA Astrophysics Data System (ADS)

Ban, Masashi; Kitajima, Sachiko; Shibata, Fumiaki

2018-05-01

An exact formula of a two-time correlation function is derived for an open quantum system which interacts with a Gaussian thermal reservoir. It is provided in terms of functional derivative with respect to fictitious fields. A perturbative expansion and its diagrammatic representation are developed, where the small expansion parameter is related to a correlation time of the Gaussian thermal reservoir. The two-time correlation function of the lowest order is equivalent to that calculated by means of the quantum regression theorem. The result clearly shows that the violation of the quantum regression theorem is caused by a finiteness of the reservoir correlation time. By making use of an exactly solvable model consisting of a two-level system and a set of harmonic oscillators, it is shown that the two-time correlation function up to the first order is a good approximation to the exact one.

Quantum criticality in the spin-1/2 Heisenberg chain system copper pyrazine dinitrate

PubMed Central

Breunig, Oliver; Garst, Markus; Klümper, Andreas; Rohrkamp, Jens; Turnbull, Mark M.; Lorenz, Thomas

2017-01-01

Low-dimensional quantum magnets promote strong correlations between magnetic moments that lead to fascinating quantum phenomena. A particularly interesting system is the antiferromagnetic spin-1/2 Heisenberg chain because it is exactly solvable by the Bethe-Ansatz method. It is approximately realized in the magnetic insulator copper pyrazine dinitrate, providing a unique opportunity for a quantitative comparison between theory and experiment. We investigate its thermodynamic properties with a particular focus on the field-induced quantum phase transition. Thermal expansion, magnetostriction, specific heat, magnetization, and magnetocaloric measurements are found to be in excellent agreement with exact Bethe-Ansatz predictions. Close to the critical field, thermodynamics obeys the expected quantum critical scaling behavior, and in particular, the magnetocaloric effect and the Grüneisen parameters diverge in a characteristic manner. Beyond its importance for quantum magnetism, our study establishes a paradigm of a quantum phase transition, which illustrates fundamental principles of quantum critical thermodynamics. PMID:29282449

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules.

PubMed

Sugisaki, Kenji; Yamamoto, Satoru; Nakazawa, Shigeaki; Toyota, Kazuo; Sato, Kazunobu; Shiomi, Daisuke; Takui, Takeji

2016-08-18

Quantum computers are capable to efficiently perform full configuration interaction (FCI) calculations of atoms and molecules by using the quantum phase estimation (QPE) algorithm. Because the success probability of the QPE depends on the overlap between approximate and exact wave functions, efficient methods to prepare accurate initial guess wave functions enough to have sufficiently large overlap with the exact ones are highly desired. Here, we propose a quantum algorithm to construct the wave function consisting of one configuration state function, which is suitable for the initial guess wave function in QPE-based FCI calculations of open-shell molecules, based on the addition theorem of angular momentum. The proposed quantum algorithm enables us to prepare the wave function consisting of an exponential number of Slater determinants only by a polynomial number of quantum operations.

Thermal quantum time-correlation functions from classical-like dynamics

NASA Astrophysics Data System (ADS)

Hele, Timothy J. H.

2017-07-01

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Xiaoyao; Hall, Randall W.; Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H{sub 2}O, N{sub 2}, and F{sub 2} molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of othermore » quantum chemical methods and to exact diagonalization. Our findings demonstrate that the SiLK method is accurate and reduces or eliminates the minus sign problem.« less

A Path Integral Approach to Option Pricing with Stochastic Volatility: Some Exact Results

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.

1997-12-01

The Black-Scholes formula for pricing options on stocks and other securities has been generalized by Merton and Garman to the case when stock volatility is stochastic. The derivation of the price of a security derivative with stochastic volatility is reviewed starting from the first principles of finance. The equation of Merton and Garman is then recast using the path integration technique of theoretical physics. The price of the stock option is shown to be the analogue of the Schrödinger wavefunction of quantum mechanics and the exact Hamiltonian and Lagrangian of the system is obtained. The results of Hull and White are generalized to the case when stock price and volatility have non-zero correlation. Some exact results for pricing stock options for the general correlated case are derived.

Quantum decay model with exact explicit analytical solution

NASA Astrophysics Data System (ADS)

Marchewka, Avi; Granot, Er'El

2009-01-01

A simple decay model is introduced. The model comprises a point potential well, which experiences an abrupt change. Due to the temporal variation, the initial quantum state can either escape from the well or stay localized as a new bound state. The model allows for an exact analytical solution while having the necessary features of a decay process. The results show that the decay is never exponential, as classical dynamics predicts. Moreover, at short times the decay has a fractional power law, which differs from perturbation quantum method predictions. At long times the decay includes oscillations with an envelope that decays algebraically. This is a model where the final state can be either continuous or localized, and that has an exact analytical solution.

Locality for quantum systems on graphs depends on the number field

NASA Astrophysics Data System (ADS)

Hall, H. Tracy; Severini, Simone

2013-07-01

Adapting a definition of Aaronson and Ambainis (2005 Theory Comput. 1 47-79), we call a quantum dynamics on a digraph saturated Z-local if the nonzero transition amplitudes specifying the unitary evolution are in exact correspondence with the directed edges (including loops) of the digraph. This idea appears recurrently in a variety of contexts including angular momentum, quantum chaos, and combinatorial matrix theory. Complete characterization of the digraph properties that allow such a process to exist is a long-standing open question that can also be formulated in terms of minimum rank problems. We prove that saturated Z-local dynamics involving complex amplitudes occur on a proper superset of the digraphs that allow restriction to the real numbers or, even further, the rationals. Consequently, among these fields, complex numbers guarantee the largest possible choice of topologies supporting a discrete quantum evolution. A similar construction separates complex numbers from the skew field of quaternions. The result proposes a concrete ground for distinguishing between complex and quaternionic quantum mechanics.

Dynamics of the quantum search and quench-induced first-order phase transitions.

PubMed

Coulamy, Ivan B; Saguia, Andreia; Sarandy, Marcelo S

2017-02-01

We investigate the excitation dynamics at a first-order quantum phase transition (QPT). More specifically, we consider the quench-induced QPT in the quantum search algorithm, which aims at finding out a marked element in an unstructured list. We begin by deriving the exact dynamics of the model, which is shown to obey a Riccati differential equation. Then, we discuss the probabilities of success by adopting either global or local adiabaticity strategies. Moreover, we determine the disturbance of the quantum criticality as a function of the system size. In particular, we show that the critical point exponentially converges to its thermodynamic limit even in a fast evolution regime, which is characterized by both entanglement QPT estimators and the Schmidt gap. The excitation pattern is manifested in terms of quantum domain walls separated by kinks. The kink density is then shown to follow an exponential scaling as a function of the evolution speed, which can be interpreted as a Kibble-Zurek mechanism for first-order QPTs.

Tunable Stable Levitation Based on Casimir Interaction between Nanostructures

NASA Astrophysics Data System (ADS)

Liu, Xianglei; Zhang, Zhuomin M.

2016-03-01

Quantum levitation enabled by repulsive Casimir force has been desirable due to the potential exciting applications in passive-suspension devices and frictionless bearings. In this paper, dynamically tunable stable levitation is theoretically demonstrated based on the configuration of dissimilar gratings separated by an intervening fluid using exact scattering theory. The levitation position is insensitive to temperature variations and can be actively tuned by adjusting the lateral displacement between the two gratings. This work investigates the possibility of applying quantum Casimir interactions into macroscopic mechanical devices working in a noncontact and low-friction environment for controlling the position or transducing lateral movement into vertical displacement at the nanoscale.

Ultrafast adiabatic quantum algorithm for the NP-complete exact cover problem

PubMed Central

Wang, Hefeng; Wu, Lian-Ao

2016-01-01

An adiabatic quantum algorithm may lose quantumness such as quantum coherence entirely in its long runtime, and consequently the expected quantum speedup of the algorithm does not show up. Here we present a general ultrafast adiabatic quantum algorithm. We show that by applying a sequence of fast random or regular signals during evolution, the runtime can be reduced substantially, whereas advantages of the adiabatic algorithm remain intact. We also propose a randomized Trotter formula and show that the driving Hamiltonian and the proposed sequence of fast signals can be implemented simultaneously. We illustrate the algorithm by solving the NP-complete 3-bit exact cover problem (EC3), where NP stands for nondeterministic polynomial time, and put forward an approach to implementing the problem with trapped ions. PMID:26923834

Bose-Einstein correlation within the framework of hadronic mechanics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burande, Chandrakant S.

The Bose-Einstein correlation is the phenomenon in which protons and antiprotons collide at extremely high energies; coalesce one into the other resulting into the fireball of finite dimension. They annihilate each other and produces large number of mesons that remain correlated at distances very large compared to the size of the fireball. It was believed that Einstein’s special relativity and relativistic quantum mechanics are the valid frameworks to represent this phenomenon. Although, these frameworks are incomplete and require arbitrary parameters (chaoticity) to fit the experimental data which are prohibited by the basic axioms of relativistic quantum mechanics, such as thatmore » for the vacuum expectation values. Moreover, correlated mesons can not be treated as a finite set of isolated point-like particles because it is non-local event due to overlapping of wavepackets. Therefore, the Bose-Einstein correlation is incompatible with the axiom of expectation values of quantum mechanics. In contrary, relativistic hadronic mechanics constructed by Santilli allows an exact representation of the experimental data of the Bose-Einstein correlation and restore the validity of the Lorentz and Poincare symmetries under nonlocal and non-Hamiltonian internal effects. Further, F. Cardone and R. Mignani observed that the Bose-Einstein two-point correlation function derived by Santilli is perfectly matched with experimental data at high energy.« less

Exact quantization of Einstein-Rosen waves coupled to massless scalar matter.

PubMed

Barbero G, J Fernando; Garay, Iñaki; Villaseñor, Eduardo J S

2005-07-29

We show in this Letter that gravity coupled to a massless scalar field with full cylindrical symmetry can be exactly quantized by an extension of the techniques used in the quantization of Einstein-Rosen waves. This system provides a useful test bed to discuss a number of issues in quantum general relativity, such as the emergence of the classical metric, microcausality, and large quantum gravity effects. It may also provide an appropriate framework to study gravitational critical phenomena from a quantum point of view, issues related to black hole evaporation, and the consistent definition of test fields and particles in quantum gravity.

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

PubMed

Cendagorta, Joseph R; Powers, Anna; Hele, Timothy J H; Marsalek, Ondrej; Bačić, Zlatko; Tuckerman, Mark E

2016-11-30

Clathrate hydrates hold considerable promise as safe and economical materials for hydrogen storage. Here we present a quantum mechanical study of H 2 and D 2 diffusion through a hexagonal face shared by two large cages of clathrate hydrates over a wide range of temperatures. Path integral molecular dynamics simulations are used to compute the free-energy profiles for the diffusion of H 2 and D 2 as a function of temperature. Ring polymer molecular dynamics rate theory, incorporating both exact quantum statistics and approximate quantum dynamical effects, is utilized in the calculations of the H 2 and D 2 diffusion rates in a broad temperature interval. We find that the shape of the quantum free-energy profiles and their height relative to the classical free energy barriers at a given temperature, as well as the rate of diffusion, are strongly affected by competing quantum effects: above 25 K, zero-point energy (ZPE) perpendicular to the reaction path for diffusion between cavities decreases the quantum rate compared to the classical rate, whereas at lower temperatures tunneling outcompetes the ZPE and as a result the quantum rate is greater than the classical rate.

Quantum Discord Determines the Interferometric Power of Quantum States

NASA Astrophysics Data System (ADS)

Girolami, Davide; Souza, Alexandre M.; Giovannetti, Vittorio; Tufarelli, Tommaso; Filgueiras, Jefferson G.; Sarthour, Roberto S.; Soares-Pinto, Diogo O.; Oliveira, Ivan S.; Adesso, Gerardo

2014-05-01

Quantum metrology exploits quantum mechanical laws to improve the precision in estimating technologically relevant parameters such as phase, frequency, or magnetic fields. Probe states are usually tailored to the particular dynamics whose parameters are being estimated. Here we consider a novel framework where quantum estimation is performed in an interferometric configuration, using bipartite probe states prepared when only the spectrum of the generating Hamiltonian is known. We introduce a figure of merit for the scheme, given by the worst-case precision over all suitable Hamiltonians, and prove that it amounts exactly to a computable measure of discord-type quantum correlations for the input probe. We complement our theoretical results with a metrology experiment, realized in a highly controllable room-temperature nuclear magnetic resonance setup, which provides a proof-of-concept demonstration for the usefulness of discord in sensing applications. Discordant probes are shown to guarantee a nonzero phase sensitivity for all the chosen generating Hamiltonians, while classically correlated probes are unable to accomplish the estimation in a worst-case setting. This work establishes a rigorous and direct operational interpretation for general quantum correlations, shedding light on their potential for quantum technology.

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Xiang; Geva, Eitan

2016-06-28

In this paper, we test the accuracy of the linearized semiclassical (LSC) expression for the equilibrium Fermi’s golden rule rate constant for electronic transitions in the presence of non-Condon effects. We do so by performing a comparison with the exact quantum-mechanical result for a model where the donor and acceptor potential energy surfaces are parabolic and identical except for shifts in the equilibrium energy and geometry, and the coupling between them is linear in the nuclear coordinates. Since non-Condon effects may or may not give rise to conical intersections, both possibilities are examined by considering: (1) A modified Garg-Onuchic-Ambegaokar modelmore » for charge transfer in the condensed phase, where the donor-acceptor coupling is linear in the primary mode coordinate, and for which non-Condon effects do not give rise to a conical intersection; (2) the linear vibronic coupling model for electronic transitions in gas phase molecules, where non-Condon effects give rise to conical intersections. We also present a comprehensive comparison between the linearized semiclassical expression and a progression of more approximate expressions. The comparison is performed over a wide range of frictions and temperatures for model (1) and over a wide range of temperatures for model (2). The linearized semiclassical method is found to reproduce the exact quantum-mechanical result remarkably well for both models over the entire range of parameters under consideration. In contrast, more approximate expressions are observed to deviate considerably from the exact result in some regions of parameter space.« less

Exact dimension estimation of interacting qubit systems assisted by a single quantum probe

NASA Astrophysics Data System (ADS)

Sone, Akira; Cappellaro, Paola

2017-12-01

Estimating the dimension of an Hilbert space is an important component of quantum system identification. In quantum technologies, the dimension of a quantum system (or its corresponding accessible Hilbert space) is an important resource, as larger dimensions determine, e.g., the performance of quantum computation protocols or the sensitivity of quantum sensors. Despite being a critical task in quantum system identification, estimating the Hilbert space dimension is experimentally challenging. While there have been proposals for various dimension witnesses capable of putting a lower bound on the dimension from measuring collective observables that encode correlations, in many practical scenarios, especially for multiqubit systems, the experimental control might not be able to engineer the required initialization, dynamics, and observables. Here we propose a more practical strategy that relies not on directly measuring an unknown multiqubit target system, but on the indirect interaction with a local quantum probe under the experimenter's control. Assuming only that the interaction model is given and the evolution correlates all the qubits with the probe, we combine a graph-theoretical approach and realization theory to demonstrate that the system dimension can be exactly estimated from the model order of the system. We further analyze the robustness in the presence of background noise of the proposed estimation method based on realization theory, finding that despite stringent constrains on the allowed noise level, exact dimension estimation can still be achieved.

Exact diagonalization library for quantum electron models

NASA Astrophysics Data System (ADS)

Iskakov, Sergei; Danilov, Michael

2018-04-01

We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including the single-band finite Hubbard cluster and the multi-orbital impurity Anderson model. The observables that can be computed using EDLib are single particle Green's functions and spin-spin correlation functions. This code provides three different types of Hamiltonian matrix storage that can be chosen based on the model.

Accuracy of the adiabatic-impulse approximation for closed and open quantum systems

NASA Astrophysics Data System (ADS)

Tomka, Michael; Campos Venuti, Lorenzo; Zanardi, Paolo

2018-03-01

We study the adiabatic-impulse approximation (AIA) as a tool to approximate the time evolution of quantum states when driven through a region of small gap. Such small-gap regions are a common situation in adiabatic quantum computing and having reliable approximations is important in this context. The AIA originates from the Kibble-Zurek theory applied to continuous quantum phase transitions. The Kibble-Zurek mechanism was developed to predict the power-law scaling of the defect density across a continuous quantum phase transition. Instead, here we quantify the accuracy of the AIA via the trace norm distance with respect to the exact evolved state. As expected, we find that for short times or fast protocols, the AIA outperforms the simple adiabatic approximation. However, for large times or slow protocols, the situation is actually reversed and the AIA provides a worse approximation. Nevertheless, we found a variation of the AIA that can perform better than the adiabatic one. This counterintuitive modification consists in crossing the region of small gap twice. Our findings are illustrated by several examples of driven closed and open quantum systems.

Multimode Bose-Hubbard model for quantum dipolar gases in confined geometries

NASA Astrophysics Data System (ADS)

Cartarius, Florian; Minguzzi, Anna; Morigi, Giovanna

2017-06-01

We theoretically consider ultracold polar molecules in a wave guide. The particles are bosons: They experience a periodic potential due to an optical lattice oriented along the wave guide and are polarized by an electric field orthogonal to the guide axis. The array is mechanically unstable by opening the transverse confinement in the direction orthogonal to the polarizing electric field and can undergo a transition to a double-chain (zigzag) structure. For this geometry we derive a multimode generalized Bose-Hubbard model for determining the quantum phases of the gas at the mechanical instability, taking into account the quantum fluctuations in all directions of space. Our model limits the dimension of the numerically relevant Hilbert subspace by means of an appropriate decomposition of the field operator, which is obtained from a field theoretical model of the linear-zigzag instability. We determine the phase diagrams of small systems using exact diagonalization and find that, even for tight transverse confinement, the aspect ratio between the two transverse trap frequencies controls not only the classical but also the quantum properties of the ground state in a nontrivial way. Convergence tests at the linear-zigzag instability demonstrate that our multimode generalized Bose-Hubbard model can catch the essential features of the quantum phases of dipolar gases in confined geometries with a limited computational effort.

Statistical-mechanics theory of active mode locking with noise.

PubMed

Gordon, Ariel; Fischer, Baruch

2004-05-01

Actively mode-locked lasers with noise are studied employing statistical mechanics. A mapping of the system to the spherical model (related to the Ising model) of ferromagnets in one dimension that has an exact solution is established. It gives basic features, such as analytical expressions for the correlation function between modes, and the widths and shapes of the pulses [different from the Kuizenga-Siegman expression; IEEE J. Quantum Electron. QE-6, 803 (1970)] and reveals the susceptibility to noise of mode ordering compared with passive mode locking.

The wave function and minimum uncertainty function of the bound quadratic Hamiltonian system

NASA Technical Reports Server (NTRS)

Yeon, Kyu Hwang; Um, Chung IN; George, T. F.

1994-01-01

The bound quadratic Hamiltonian system is analyzed explicitly on the basis of quantum mechanics. We have derived the invariant quantity with an auxiliary equation as the classical equation of motion. With the use of this invariant it can be determined whether or not the system is bound. In bound system we have evaluated the exact eigenfunction and minimum uncertainty function through unitary transformation.

Electronic field emission models beyond the Fowler-Nordheim one

NASA Astrophysics Data System (ADS)

Lepetit, Bruno

2017-12-01

We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

A quantum mechanical model for the relationship between stock price and stock ownership

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cotfas, Liviu-Adrian

2012-11-01

The trade of a fixed stock can be regarded as the basic process that measures its momentary price. The stock price is exactly known only at the time of sale when the stock is between traders, that is, only in the case when the owner is unknown. We show that the stock price can be better described by a function indicating at any moment of time the probabilities for the possible values of price if a transaction takes place. This more general description contains partial information on the stock price, but it also contains partial information on the stock owner.more » By following the analogy with quantum mechanics, we assume that the time evolution of the function describing the stock price can be described by a Schroedinger type equation.« less

Matrix superpotentials

NASA Astrophysics Data System (ADS)

Nikitin, Anatoly G.; Karadzhov, Yuri

2011-07-01

We present a collection of matrix-valued shape invariant potentials which give rise to new exactly solvable problems of SUSY quantum mechanics. It includes all irreducible matrix superpotentials of the generic form W=kQ+\\frac{1}{k} R+P, where k is a variable parameter, Q is the unit matrix multiplied by a real-valued function of independent variable x, and P and R are the Hermitian matrices depending on x. In particular, we recover the Pron'ko-Stroganov 'matrix Coulomb potential' and all known scalar shape invariant potentials of SUSY quantum mechanics. In addition, five new shape invariant potentials are presented. Three of them admit a dual shape invariance, i.e. the related Hamiltonians can be factorized using two non-equivalent superpotentials. We find discrete spectrum and eigenvectors for the corresponding Schrödinger equations and prove that these eigenvectors are normalizable.

Exact solitary wave solution for higher order nonlinear Schrodinger equation using He's variational iteration method

NASA Astrophysics Data System (ADS)

Rani, Monika; Bhatti, Harbax S.; Singh, Vikramjeet

2017-11-01

In optical communication, the behavior of the ultrashort pulses of optical solitons can be described through nonlinear Schrodinger equation. This partial differential equation is widely used to contemplate a number of physically important phenomena, including optical shock waves, laser and plasma physics, quantum mechanics, elastic media, etc. The exact analytical solution of (1+n)-dimensional higher order nonlinear Schrodinger equation by He's variational iteration method has been presented. Our proposed solutions are very helpful in studying the solitary wave phenomena and ensure rapid convergent series and avoid round off errors. Different examples with graphical representations have been given to justify the capability of the method.

Exact Critical Exponents for the Antiferromagnetic Quantum Critical Metal in Two Dimensions

NASA Astrophysics Data System (ADS)

Schlief, Andres; Lunts, Peter; Lee, Sung-Sik

2017-04-01

Unconventional metallic states which do not support well-defined single-particle excitations can arise near quantum phase transitions as strong quantum fluctuations of incipient order parameters prevent electrons from forming coherent quasiparticles. Although antiferromagnetic phase transitions occur commonly in correlated metals, understanding the nature of the strange metal realized at the critical point in layered systems has been hampered by a lack of reliable theoretical methods that take into account strong quantum fluctuations. We present a nonperturbative solution to the low-energy theory for the antiferromagnetic quantum critical metal in two spatial dimensions. Being a strongly coupled theory, it can still be solved reliably in the low-energy limit as quantum fluctuations are organized by a new control parameter that emerges dynamically. We predict the exact critical exponents that govern the universal scaling of physical observables at low temperatures.

A direct connection between quantum Hall plateaus and exact pair states in a 2D electron gas

NASA Astrophysics Data System (ADS)

Hai, Wenhua; Li, Zejun; Xiao, Kewen

2011-12-01

It is previously found that the two-dimensional (2D) electron-pair in a homogeneous magnetic field has a set of exact solutions for a denumerably infinite set of magnetic fields. Here we demonstrate that as a function of magnetic field a band-like structure of energy associated with the exact pair states exists. A direct and simple connection between the pair states and the quantum Hall effect is revealed by the band-like structure of the hydrogen "pseudo-atom". From such a connection one can predict the sites and widths of the integral and fractional quantum Hall plateaus for an electron gas in a GaAs-Al x Ga1- x As heterojunction. The results are in good agreement with the existing experimental data.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ballesteros, Ángel, E-mail: angelb@ubu.es; Enciso, Alberto, E-mail: aenciso@icmat.es; Herranz, Francisco J., E-mail: fjherranz@ubu.es

In this paper we quantize the N-dimensional classical Hamiltonian system H=(|q|)/(2(η+|q|)) p{sup 2}−k/(η+|q|) , that can be regarded as a deformation of the Coulomb problem with coupling constant k, that it is smoothly recovered in the limit η→0. Moreover, the kinetic energy term in H is just the one corresponding to an N-dimensional Taub–NUT space, a fact that makes this system relevant from a geometric viewpoint. Since the Hamiltonian H is known to be maximally superintegrable, we propose a quantization prescription that preserves such superintegrability in the quantum mechanical setting. We show that, to this end, one must choose asmore » the kinetic part of the Hamiltonian the conformal Laplacian of the underlying Riemannian manifold, which combines the usual Laplace–Beltrami operator on the Taub–NUT manifold and a multiple of its scalar curvature. As a consequence, we obtain a novel exactly solvable deformation of the quantum Coulomb problem, whose spectrum is computed in closed form for positive values of η and k, and showing that the well-known maximal degeneracy of the flat system is preserved in the deformed case. Several interesting algebraic and physical features of this new exactly solvable quantum system are analyzed, and the quantization problem for negative values of η and/or k is also sketched.« less

Eshelby problem of polygonal inclusions in anisotropic piezoelectric full- and half-planes

NASA Astrophysics Data System (ADS)

Pan, E.

2004-03-01

This paper presents an exact closed-form solution for the Eshelby problem of polygonal inclusion in anisotropic piezoelectric full- and half-planes. Based on the equivalent body-force concept of eigenstrain, the induced elastic and piezoelectric fields are first expressed in terms of line integral on the boundary of the inclusion with the integrand being the Green's function. Using the recently derived exact closed-form line-source Green's function, the line integral is then carried out analytically, with the final expression involving only elementary functions. The exact closed-form solution is applied to a square-shaped quantum wire within semiconductor GaAs full- and half-planes, with results clearly showing the importance of material orientation and piezoelectric coupling. While the elastic and piezoelectric fields within the square-shaped quantum wire could serve as benchmarks to other numerical methods, the exact closed-form solution should be useful to the analysis of nanoscale quantum-wire structures where large strain and electric fields could be induced by the misfit strain.

Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations

NASA Astrophysics Data System (ADS)

Wong, Kin-Yiu

We have simulated two enzymatic reactions with molecular dynamics (MD) and combined quantum mechanical/molecular mechanical (QM/MM) techniques. One reaction is the hydrolysis of the insecticide paraoxon catalyzed by phosphotriesterase (PTE). PTE is a bioremediation candidate for environments contaminated by toxic nerve gases (e.g., sarin) or pesticides. Based on the potential of mean force (PMF) and the structural changes of the active site during the catalysis, we propose a revised reaction mechanism for PTE. Another reaction is the hydrolysis of the second-messenger cyclic adenosine 3'-5'-monophosphate (cAMP) catalyzed by phosphodiesterase (PDE). Cyclicnucleotide PDE is a vital protein in signal-transduction pathways and thus a popular target for inhibition by drugs (e.g., ViagraRTM). A two-dimensional (2-D) free-energy profile has been generated showing that the catalysis by PDE proceeds in a two-step SN2-type mechanism. Furthermore, to characterize a chemical reaction mechanism in experiment, a direct probe is measuring kinetic isotope effects (KIEs). KIEs primarily arise from internuclear quantum-statistical effects, e.g., quantum tunneling and quantization of vibration. To systematically incorporate the quantum-statistical effects during MD simulations, we have developed an automated integration-free path-integral (AIF-PI) method based on Kleinert's variational perturbation theory for the centroid density of Feynman's path integral. Using this analytic method, we have performed ab initio pathintegral calculations to study the origin of KIEs on several series of proton-transfer reactions from carboxylic acids to aryl substituted alpha-methoxystyrenes in water. In addition, we also demonstrate that the AIF-PI method can be used to systematically compute the exact value of zero-point energy (beyond the harmonic approximation) by simply minimizing the centroid effective potential.

More on homological supersymmetric quantum mechanics

NASA Astrophysics Data System (ADS)

Behtash, Alireza

2018-03-01

In this work, we first solve complex Morse flow equations for the simplest case of a bosonic harmonic oscillator to discuss localization in the context of Picard-Lefschetz theory. We briefly touch on the exact non-BPS solutions of the bosonized supersymmetric quantum mechanics on algebraic geometric grounds and report that their complex phases can be accessed through the cohomology of WKB 1-form of the underlying singular spectral curve subject to necessary cohomological corrections for nonzero genus. Motivated by Picard-Lefschetz theory, we write down a general formula for the index of N =4 quantum mechanics with background R -symmetry gauge fields. We conjecture that certain symmetries of the refined Witten index and singularities of the moduli space may be used to determine the correct intersection coefficients. A few examples, where this conjecture holds, are shown in both linear and closed quivers with rank-one quiver gauge groups. The R -anomaly removal along the "Morsified" relative homology cycles also called "Lefschetz thimbles" is shown to lead to the appearance of Stokes lines. We show that the Fayet-Iliopoulos parameters appear in the intersection coefficients for the relative homology of the quiver quantum mechanics resulting from dimensional reduction of 2 d N =(2 ,2 ) gauge theory on a circle and explicitly calculate integrals along the Lefschetz thimbles in N =4 C Pk -1 model. The Stokes jumping of coefficients and its relation to wall crossing phenomena is briefly discussed. We also find that the notion of "on-the-wall" index is related to the invariant Lefschetz thimbles under Stokes phenomena. An implication of the Lefschetz thimbles in constructing knots from quiver quantum mechanics is indicated.

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

NASA Astrophysics Data System (ADS)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

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

Quantum harmonic oscillator in a thermal bath

NASA Technical Reports Server (NTRS)

Zhang, Yuhong

1993-01-01

The influence functional path-integral treatment of quantum Brownian motion is briefly reviewed. A newly derived exact master equation of a quantum harmonic oscillator coupled to a general environment at arbitrary temperature is discussed. It is applied to the problem of loss of quantum coherence.

Quantum Entanglement and the Topological Order of Fractional Hall States

NASA Astrophysics Data System (ADS)

Rezayi, Edward

2015-03-01

Fractional quantum Hall states or, more generally, topological phases of matter defy Landau classification based on order parameter and broken symmetry. Instead they have been characterized by their topological order. Quantum information concepts, such as quantum entanglement, appear to provide the most efficient method of detecting topological order solely from the knowledge of the ground state wave function. This talk will focus on real-space bi-partitioning of quantum Hall states and will present both exact diagonalization and quantum Monte Carlo studies of topological entanglement entropy in various geometries. Results on the torus for non-contractible cuts are quite rich and, through the use of minimum entropy states, yield the modular S-matrix and hence uniquely determine the topological order, as shown in recent literature. Concrete examples of minimum entropy states from known quantum Hall wave functions and their corresponding quantum numbers, used in exact diagonalizations, will be given. In collaboration with Clare Abreu and Raul Herrera. Supported by DOE Grant DE-SC0002140.

A large class of solvable multistate Landau–Zener models and quantum integrability

NASA Astrophysics Data System (ADS)

Chernyak, Vladimir Y.; Sinitsyn, Nikolai A.; Sun, Chen

2018-06-01

The concept of quantum integrability has been introduced recently for quantum systems with explicitly time-dependent Hamiltonians (Sinitsyn et al 2018 Phys. Rev. Lett. 120 190402). Within the multistate Landau–Zener (MLZ) theory, however, there has been a successful alternative approach to identify and solve complex time-dependent models (Sinitsyn and Chernyak 2017 J. Phys. A: Math. Theor. 50 255203). Here we compare both methods by applying them to a new class of exactly solvable MLZ models. This class contains systems with an arbitrary number of interacting states and shows quick growth with N number of exact adiabatic energy crossing points, which appear at different moments of time. At each N, transition probabilities in these systems can be found analytically and exactly but complexity and variety of solutions in this class also grow with N quickly. We illustrate how common features of solvable MLZ systems appear from quantum integrability and develop an approach to further classification of solvable MLZ problems.

Attacks on practical quantum key distribution systems (and how to prevent them)

NASA Astrophysics Data System (ADS)

Jain, Nitin; Stiller, Birgit; Khan, Imran; Elser, Dominique; Marquardt, Christoph; Leuchs, Gerd

2016-07-01

With the emergence of an information society, the idea of protecting sensitive data is steadily gaining importance. Conventional encryption methods may not be sufficient to guarantee data protection in the future. Quantum key distribution (QKD) is an emerging technology that exploits fundamental physical properties to guarantee perfect security in theory. However, it is not easy to ensure in practice that the implementations of QKD systems are exactly in line with the theoretical specifications. Such theory-practice deviations can open loopholes and compromise security. Several such loopholes have been discovered and investigated in the last decade. These activities have motivated the proposal and implementation of appropriate countermeasures, thereby preventing future attacks and enhancing the practical security of QKD. This article introduces the so-called field of quantum hacking by summarising a variety of attacks and their prevention mechanisms.

Non-perturbative background field calculations

NASA Astrophysics Data System (ADS)

Stephens, C. R.

1988-01-01

New methods are developed for calculating one loop functional determinants in quantum field theory. Instead of relying on a calculation of all the eigenvalues of the small fluctuation equation, these techniques exploit the ability of the proper time formalism to reformulate an infinite dimensional field theoretic problem into a finite dimensional covariant quantum mechanical analog, thereby allowing powerful tools such as the method of Jacobi fields to be used advantageously in a field theory setting. More generally the methods developed herein should be extremely valuable when calculating quantum processes in non-constant background fields, offering a utilitarian alternative to the two standard methods of calculation—perturbation theory in the background field or taking the background field into account exactly. The formalism developed also allows for the approximate calculation of covariances of partial differential equations from a knowledge of the solutions of a homogeneous ordinary differential equation.

Exact mapping of the 2+1 Dirac oscillator onto the Jaynes-Cummings model: Ion-trap experimental proposal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bermudez, A.; Martin-Delgado, M. A.; Solano, E.

2007-10-15

We study the dynamics of the 2+1 Dirac oscillator exactly and find spin oscillations due to a Zitterbewegung of purely relativistic origin. We find an exact mapping of this quantum-relativistic system onto a Jaynes-Cummings model, describing the interaction of a two-level atom with a quantized single-mode field. This equivalence allows us to map a series of quantum optical phenomena onto the relativistic oscillator and vice versa. We make a realistic experimental proposal, in reach with current technology, for studying the equivalence of both models using a single trapped ion.

A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

PubMed

Wong, Kin-Yiu; Gao, Jiali

2008-09-09

In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property of the KP theory is further examined in comparison with results from the traditional Rayleigh-Ritz variational approach and Rayleigh-Schrödinger perturbation theory in wave mechanics. The present method can be used for thermodynamic and quantum dynamic calculations, including to systematically determine the exact value of zero-point energy and to study kinetic isotope effects for chemical reactions in solution and in enzymes.

A Delayed Choice Quantum Eraser Explained by the Transactional Interpretation of Quantum Mechanics

NASA Astrophysics Data System (ADS)

Fearn, H.

2016-01-01

This paper explains the delayed choice quantum eraser of Kim et al. (A delayed choice quantum eraser, 1999) in terms of the transactional interpretation (TI) of quantum mechanics by Cramer (Rev Mod Phys 58:647, 1986, The quantum handshake, entanglement, nonlocality and transactions, 1986). It is kept deliberately mathematically simple to help explain the transactional technique. The emphasis is on a clear understanding of how the instantaneous "collapse" of the wave function due to a measurement at a specific time and place may be reinterpreted as a relativistically well-defined collapse over the entire path of the photon and over the entire transit time from slit to detector. This is made possible by the use of a retarded offer wave, which is thought to travel from the slits (or rather the small region within the parametric crystal where down-conversion takes place) to the detector and an advanced counter wave traveling backward in time from the detector to the slits. The point here is to make clear how simple the transactional picture is and how much more intuitive the collapse of the wave function becomes if viewed in this way. Also, any confusion about possible retro-causal signaling is put to rest. A delayed choice quantum eraser does not require any sort of backward in time communication. This paper makes the point that it is preferable to use the TI over the usual Copenhagen interpretation for a more intuitive understanding of the quantum eraser delayed choice experiment. Both methods give exactly the same end results and can be used interchangeably.

Quantum decoration transformation for spin models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Braz, F.F.; Rodrigues, F.C.; Souza, S.M. de

2016-09-15

It is quite relevant the extension of decoration transformation for quantum spin models since most of the real materials could be well described by Heisenberg type models. Here we propose an exact quantum decoration transformation and also showing interesting properties such as the persistence of symmetry and the symmetry breaking during this transformation. Although the proposed transformation, in principle, cannot be used to map exactly a quantum spin lattice model into another quantum spin lattice model, since the operators are non-commutative. However, it is possible the mapping in the “classical” limit, establishing an equivalence between both quantum spin lattice models.more » To study the validity of this approach for quantum spin lattice model, we use the Zassenhaus formula, and we verify how the correction could influence the decoration transformation. But this correction could be useless to improve the quantum decoration transformation because it involves the second-nearest-neighbor and further nearest neighbor couplings, which leads into a cumbersome task to establish the equivalence between both lattice models. This correction also gives us valuable information about its contribution, for most of the Heisenberg type models, this correction could be irrelevant at least up to the third order term of Zassenhaus formula. This transformation is applied to a finite size Heisenberg chain, comparing with the exact numerical results, our result is consistent for weak xy-anisotropy coupling. We also apply to bond-alternating Ising–Heisenberg chain model, obtaining an accurate result in the limit of the quasi-Ising chain.« less

Quantum decoration transformation for spin models

NASA Astrophysics Data System (ADS)

Braz, F. F.; Rodrigues, F. C.; de Souza, S. M.; Rojas, Onofre

2016-09-01

It is quite relevant the extension of decoration transformation for quantum spin models since most of the real materials could be well described by Heisenberg type models. Here we propose an exact quantum decoration transformation and also showing interesting properties such as the persistence of symmetry and the symmetry breaking during this transformation. Although the proposed transformation, in principle, cannot be used to map exactly a quantum spin lattice model into another quantum spin lattice model, since the operators are non-commutative. However, it is possible the mapping in the "classical" limit, establishing an equivalence between both quantum spin lattice models. To study the validity of this approach for quantum spin lattice model, we use the Zassenhaus formula, and we verify how the correction could influence the decoration transformation. But this correction could be useless to improve the quantum decoration transformation because it involves the second-nearest-neighbor and further nearest neighbor couplings, which leads into a cumbersome task to establish the equivalence between both lattice models. This correction also gives us valuable information about its contribution, for most of the Heisenberg type models, this correction could be irrelevant at least up to the third order term of Zassenhaus formula. This transformation is applied to a finite size Heisenberg chain, comparing with the exact numerical results, our result is consistent for weak xy-anisotropy coupling. We also apply to bond-alternating Ising-Heisenberg chain model, obtaining an accurate result in the limit of the quasi-Ising chain.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bialynicki-Birula, Iwo

Quantum-mechanical uncertainty relations for position and momentum are expressed in the form of inequalities involving the Renyi entropies. The proof of these inequalities requires the use of the exact expression for the (p,q)-norm of the Fourier transformation derived by Babenko and Beckner. Analogous uncertainty relations are derived for angle and angular momentum and also for a pair of complementary observables in N-level systems. All these uncertainty relations become more attractive when expressed in terms of the symmetrized Renyi entropies.

Exact Open Quantum System Dynamics Using the Hierarchy of Pure States (HOPS).

PubMed

Hartmann, Richard; Strunz, Walter T

2017-12-12

We show that the general and numerically exact Hierarchy of Pure States method (HOPS) is very well applicable to calculate the reduced dynamics of an open quantum system. In particular, we focus on environments with a sub-Ohmic spectral density (SD) resulting in an algebraic decay of the bath correlation function (BCF). The universal applicability of HOPS, reaching from weak to strong coupling for zero and nonzero temperature, is demonstrated by solving the spin-boson model for which we find perfect agreement with other methods, each one suitable for a special regime of parameters. The challenges arising in the strong coupling regime are not only reflected in the computational effort needed for the HOPS method to converge but also in the necessity for an importance sampling mechanism, accounted for by the nonlinear variant of HOPS. In order to include nonzero-temperature effects in the strong coupling regime we found that it is highly favorable for the HOPS method to use the zero-temperature BCF and include temperature via a stochastic Hermitian contribution to the system Hamiltonian.

Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

NASA Astrophysics Data System (ADS)

Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; Dagotto, Elbio

2015-06-01

Lattice spin-fermion models are important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the "spins," are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The "traveling cluster approximation" (TCA) is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 103 sites. In this publication, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. This allows us to solve generic spin-fermion models easily on 104 lattice sites and with some effort on 105 lattice sites, representing the record lattice sizes studied for this family of models.

Aspects of perturbation theory in quantum mechanics: The BenderWuMATHEMATICA® package

NASA Astrophysics Data System (ADS)

Sulejmanpasic, Tin; Ünsal, Mithat

2018-07-01

We discuss a general setup which allows the study of the perturbation theory of an arbitrary, locally harmonic 1D quantum mechanical potential as well as its multi-variable (many-body) generalization. The latter may form a prototype for regularized quantum field theory. We first generalize the method of Bender-Wu,and derive exact recursion relations which allow the determination of the perturbative wave-function and energy corrections to an arbitrary order, at least in principle. For 1D systems, we implement these equations in an easy to use MATHEMATICA® package we call BenderWu. Our package enables quick home-computer computation of high orders of perturbation theory (about 100 orders in 10-30 s, and 250 orders in 1-2 h) and enables practical study of a large class of problems in Quantum Mechanics. We have two hopes concerning the BenderWu package. One is that due to resurgence, large amount of non-perturbative information, such as non-perturbative energies and wave-functions (e.g. WKB wave functions), can in principle be extracted from the perturbative data. We also hope that the package may be used as a teaching tool, providing an effective bridge between perturbation theory and non-perturbative physics in textbooks. Finally, we show that for the multi-variable case, the recursion relation acquires a geometric character, and has a structure which allows parallelization to computer clusters.

A Gaussian wave packet phase-space representation of quantum canonical statistics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coughtrie, David J.; Tew, David P.

2015-07-28

We present a mapping of quantum canonical statistical averages onto a phase-space average over thawed Gaussian wave-packet (GWP) parameters, which is exact for harmonic systems at all temperatures. The mapping invokes an effective potential surface, experienced by the wave packets, and a temperature-dependent phase-space integrand, to correctly transition from the GWP average at low temperature to classical statistics at high temperature. Numerical tests on weakly and strongly anharmonic model systems demonstrate that thermal averages of the system energy and geometric properties are accurate to within 1% of the exact quantum values at all temperatures.

Graph-associated entanglement cost of a multipartite state in exact and finite-block-length approximate constructions

NASA Astrophysics Data System (ADS)

Yamasaki, Hayata; Soeda, Akihito; Murao, Mio

2017-09-01

We introduce and analyze graph-associated entanglement cost, a generalization of the entanglement cost of quantum states to multipartite settings. We identify a necessary and sufficient condition for any multipartite entangled state to be constructible when quantum communication between the multiple parties is restricted to a quantum network represented by a tree. The condition for exact state construction is expressed in terms of the Schmidt ranks of the state defined with respect to edges of the tree. We also study approximate state construction and provide a second-order asymptotic analysis.

Emergent symmetries in the canonical tensor model

NASA Astrophysics Data System (ADS)

Obster, Dennis; Sasakura, Naoki

2018-04-01

The canonical tensor model (CTM) is a tensor model proposing a classically and quantum mechanically consistent description of gravity, formulated as a first-class constraint system with structural similarities to the ADM formalism of general relativity. The classical CTM produces a general relativistic system in a formal continuum limit, the emergence of which should be explained by the quantum CTM. In this paper we study the symmetry properties of a wave function that exactly solves the quantum constraints of the CTM. We have found that it has strong peaks at configurations invariant under some Lie groups, as predicted by a mechanism described in our previous paper. A surprising result is the preference for configurations invariant not only under Lie groups with positive definite signature, but also with Lorentzian signature. Such symmetries could characterize the global structures of spacetimes, and our results are encouraging towards showing spacetime emergence in the CTM. To verify the asymptotic convergence of the wave function we have also analyzed the asymptotic behavior, which for the most part seems to be well under control.

Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.

PubMed

Gao, J

2016-01-01

Path-integral free energy perturbation (PI-FEP) theory is presented to directly determine the ratio of quantum mechanical partition functions of different isotopologs in a single simulation. Furthermore, a double averaging strategy is used to carry out the practical simulation, separating the quantum mechanical path integral exactly into two separate calculations, one corresponding to a classical molecular dynamics simulation of the centroid coordinates, and another involving free-particle path-integral sampling over the classical, centroid positions. An integrated centroid path-integral free energy perturbation and umbrella sampling (PI-FEP/UM, or simply, PI-FEP) method along with bisection sampling was summarized, which provides an accurate and fast convergent method for computing kinetic isotope effects for chemical reactions in solution and in enzymes. The PI-FEP method is illustrated by a number of applications, to highlight the computational precision and accuracy, the rule of geometrical mean in kinetic isotope effects, enhanced nuclear quantum effects in enzyme catalysis, and protein dynamics on temperature dependence of kinetic isotope effects. © 2016 Elsevier Inc. All rights reserved.

Quantum graviton creation in a model universe

NASA Technical Reports Server (NTRS)

Berger, B. K.

1974-01-01

Consideration of the mechanism of production of gravitons in the empty, anisotropic, spatially inhomogeneous Gowdy three-torus cosmology. The Gowdy cosmology is an exact solution of the vacuum Einstein equations and is obtained as a generalization of the homogeneous empty Bianchi Type I (Kasner) cosmology by permitting the metric components to depend on one of the space variables in addition to time. The Hamiltonian methods of Arnowitt, Deser, and Misner are employed to identify the dynamical variables which are to be quantized. The WKB regime solution is identical to that found by Doroshkevich, Zel'dovich, and Novikov (DZN) for a universe containing collisionless anisotropic radiation. Using a procedure similar to that of Parker (1971) or Zel'dovich and Starobinskii (1971) for defining quantum number, it is found that the DZN large-time radiation consists of quanta (gravitons) created from an initial vacuum. The quantum behavior is much like the semiclassical enhancement of quantum number with the added feature of creation of quanta from vacuum fluctuations.

Connection between quantum systems involving the fourth Painlevé transcendent and k-step rational extensions of the harmonic oscillator related to Hermite exceptional orthogonal polynomial

NASA Astrophysics Data System (ADS)

Marquette, Ian; Quesne, Christiane

2016-05-01

The purpose of this communication is to point out the connection between a 1D quantum Hamiltonian involving the fourth Painlevé transcendent PIV, obtained in the context of second-order supersymmetric quantum mechanics and third-order ladder operators, with a hierarchy of families of quantum systems called k-step rational extensions of the harmonic oscillator and related with multi-indexed Xm1,m2,…,mk Hermite exceptional orthogonal polynomials of type III. The connection between these exactly solvable models is established at the level of the equivalence of the Hamiltonians using rational solutions of the fourth Painlevé equation in terms of generalized Hermite and Okamoto polynomials. We also relate the different ladder operators obtained by various combinations of supersymmetric constructions involving Darboux-Crum and Krein-Adler supercharges, their zero modes and the corresponding energies. These results will demonstrate and clarify the relation observed for a particular case in previous papers.

Niels Bohr on the wave function and the classical/quantum divide

NASA Astrophysics Data System (ADS)

Zinkernagel, Henrik

2016-02-01

It is well known that Niels Bohr insisted on the necessity of classical concepts in the account of quantum phenomena. But there is little consensus concerning his reasons, and what he exactly meant by this. In this paper, I re-examine Bohr's interpretation of quantum mechanics, and argue that the necessity of the classical can be seen as part of his response to the measurement problem. More generally, I attempt to clarify Bohr's view on the classical/quantum divide, arguing that the relation between the two theories is that of mutual dependence. An important element in this clarification consists in distinguishing Bohr's idea of the wave function as symbolic from both a purely epistemic and an ontological interpretation. Together with new evidence concerning Bohr's conception of the wave function collapse, this sets his interpretation apart from both standard versions of the Copenhagen interpretation, and from some of the reconstructions of his view found in the literature. I conclude with a few remarks on how Bohr's ideas make much sense also when modern developments in quantum gravity and early universe cosmology are taken into account.

Decoherence and lead-induced interdot coupling in nonequilibrium electron transport through interacting quantum dots: A hierarchical quantum master equation approach

NASA Astrophysics Data System (ADS)

Härtle, R.; Cohen, G.; Reichman, D. R.; Millis, A. J.

2013-12-01

The interplay between interference effects and electron-electron interactions in electron transport through an interacting double quantum dot system is investigated using a hierarchical quantum master equation approach which becomes exact if carried to infinite order and converges well if the temperature is not too low. Decoherence due to electron-electron interactions is found to give rise to pronounced negative differential resistance, enhanced broadening of structures in current-voltage characteristics, and an inversion of the electronic population. Dependence on gate voltage is shown to be a useful method of distinguishing decoherence-induced phenomena from effects induced by other mechanisms such as the presence of a blocking state. Comparison of results obtained by the hierarchical quantum master equation approach to those obtained from the Born-Markov approximation to the Nakajima-Zwanzig equation and from the noncrossing approximation to the nonequilibrium Green's function reveals the importance of an interdot coupling that originates from the energy dependence of the conduction bands in the leads and the need for a systematic perturbative expansion.

Stochastic theory of non-Markovian open quantum system

NASA Astrophysics Data System (ADS)

Zhao, Xinyu

In this thesis, a stochastic approach to solving non-Markovian open quantum system called "non-Markovian quantum state diffusion" (NMQSD) approach is discussed in details. The NMQSD approach can serve as an analytical and numerical tool to study the dynamics of the open quantum systems. We explore three main topics of the NMQSD approach. First, we extend the NMQSD approach to many-body open systems such as two-qubit system and coupled N-cavity system. Based on the exact NMQSD equations and the corresponding master equations, we investigate several interesting non-Markovian features due to the memory effect of the environment such as the entanglement generation in two-qubit system and the coherence and entanglement transfer between cavities. Second, we extend the original NMQSD approach to the case that system is coupled to a fermionic bath or a spin bath. By introducing the anti-commutative Grassmann noise and the fermionic coherent state, we derive a fermionic NMQSD equation and the corresponding master equation. The fermionic NMQSD is illustrated by several examples. In a single qubit dissipative example, we have explicitly demonstrated that the NMQSD approach and the ordinary quantum mechanics give rise to the exactly same results. We also show the difference between fermionic bath and bosonic bath. Third, we combine the bosonic and fermionic NMQSD approach to develop a unified NMQSD approach to study the case that an open system is coupled to a bosonic bath and a fermionic bath simultaneously. For all practical purposes, we develop a set of useful computer programs (NMQSD Toolbox) to implement the NMQSD equation in realistic computations. In particular, we develop an algorithm to calculate the exact O operator involved in the NMQSD equation. The NMQSD toolbox is designed to be user friendly, so it will be especially valuable for a non-expert who has interest to employ the NMQSD equation to solve a practical problem. Apart from the central topics on the NMQSD approach, we also study the environment-assisted error correction (EAEC) scheme. We have proposed two new schemes beyond the original EAEC scheme. Our schemes can be used to recover an unknown entangled initial state for a dephasing channel and recover an arbitrary unknown initial state for a dissipative channel using a generalized quantum measurement.

Fixed-node quantum Monte Carlo

NASA Astrophysics Data System (ADS)

Anderson, James B.

Quantum Monte Carlo methods cannot at present provide exact solutions of the Schrödinger equation for systems with more than a few electrons. But, quantum Monte Carlo calculations can provide very low energy, highly accurate solutions for many systems ranging up to several hundred electrons. These systems include atoms such as Be and Fe, molecules such as H2O, CH4, and HF, and condensed materials such as solid N2 and solid silicon. The quantum Monte Carlo predictions of their energies and structures may not be `exact', but they are the best available. Most of the Monte Carlo calculations for these systems have been carried out using approximately correct fixed nodal hypersurfaces and they have come to be known as `fixed-node quantum Monte Carlo' calculations. In this paper we review these `fixed node' calculations and the accuracies they yield.

Quantum dissipation theory and applications to quantum transport and quantum measurement in mesoscopic systems

NASA Astrophysics Data System (ADS)

Cui, Ping

The thesis comprises two major themes of quantum statistical dynamics. One is the development of quantum dissipation theory (QDT). It covers the establishment of some basic relations of quantum statistical dynamics, the construction of several nonequivalent complete second-order formulations, and the development of exact QDT. Another is related to the applications of quantum statistical dynamics to a variety of research fields. In particular, unconventional but novel theories of the electron transfer in Debye solvents, quantum transport, and quantum measurement are developed on the basis of QDT formulations. The thesis is organized as follows. In Chapter 1, we present some background knowledge in relation to the aforementioned two themes of this thesis. The key quantity in QDT is the reduced density operator rho(t) ≡ trBrho T(t); i.e., the partial trace of the total system and bath composite rhoT(t) over the bath degrees of freedom. QDT governs the evolution of reduced density operator, where the effects of bath are treated in a quantum statistical manner. In principle, the reduced density operator contains all dynamics information of interest. However, the conventional quantum transport theory is formulated in terms of nonequilibrium Green's function. The newly emerging field of quantum measurement in relation to quantum information and quantum computing does exploit a sort of QDT formalism. Besides the background of the relevant theoretical development, some representative experiments on molecular nanojunctions are also briefly discussed. In chapter 2, we outline some basic (including new) relations that highlight several important issues on QDT. The content includes the background of nonequilibrium quantum statistical mechanics, the general description of the total composite Hamiltonian with stochastic system-bath interaction, a novel parameterization scheme for bath correlation functions, a newly developed exact theory of driven Brownian oscillator (DBO) systems, and its closely related solvation mode transformation of system-bath coupling Hamiltonian in general. The exact QDT of DBO systems is also used to clarify the validity of conventional QDT formulations that involve Markovian approximation. In Chapter 3, we develop three nonequivalent but all complete second-order QDT (CS-QDT) formulations. Two of them are of the conventional prescriptions in terms of time-local dissipation and memory kernel, respectively. The third one is called the correlated driving-dissipation equations of motion (CODDE). This novel CS-QDT combines the merits of the former two for its advantages in both the application and numerical implementation aspects. Also highlighted is the importance of correlated driving-dissipation effects on the dynamics of the reduced system. In Chapter 4, we construct an exact QDT formalism via the calculus on path integrals. The new theory aims at the efficient evaluation of non-Markovian dissipation beyond the weak system-bath interaction regime in the presence of time-dependent external field. By adopting exponential-like expansions for bath correlation function, hierarchical equations of motion formalism and continued fraction Liouville-space Green's function formalism are established. The latter will soon be used together with the Dyson equation technique for an efficient evaluation of non-perturbative reduced density matrix dynamics. The interplay between system-bath interaction strength, non-Markovian property, and the required level of hierarchy is also studied with the aid of simple spin-boson systems, together with the three proposed schemes to truncate the infinite hierarchy. In Chapter 5, we develop a nonperturbative theory of electron transfer (ET) in Debye solvents. The resulting exact and analytical rate expression is constructed on the basis of the aforementioned continued fraction Liouville-space Green's function formalism, together with the Dyson equation technique. Not only does it recover the celebrated Marcus' inversion and Kramers' turnover behaviors, the new theory also shows some distinct quantum solvation effects that can alter the ET mechanism. Moreover, the present theory predicts further for the ET reaction thermodynamics, such as equilibrium Gibbs free-energy and entropy, some interesting solvent-dependent features that are calling for experimental verification. In Chapter 6, we discuss the constructed QDTs, in terms of their unified mathematical structure that supports a linear dynamics space, and thus facilitates their applications to various physical problems. The involving details are exemplified with the CODDE form of QDT. As the linear space is concerned, we identify the Schrodinger versus Heisenberg picture and the forward versus backward propagation of the reduced, dissipative Liouville dynamics. For applications we discuss the reduced linear response theory and the optimal control problems, in which the correlated effects of non-Markovian dissipation and field driving are shown to be important. In Chapter 7, we turn to quantum transport, i.e., electric current through molecular or mesoscopic systems under finite applied voltage. By viewing the nonequilibrium transport setup as a quantum open system, we develop a reduced-density-matrix approach to quantum transport. The resulting current is explicitly expressed in terms of the molecular reduced density matrix by tracing out the degrees of freedom of the electrodes at finite bias and temperature. We propose a conditional quantum master equation theory, which is an extension of the conventional (or unconditional) QDT by tracing out the well-defined bath subsets individually, instead of the entire bath degrees of freedom. Both the current and the noise spectrum can be conveniently analyzed in terms of the conditional reduced density matrix dynamics. By far, the QDT (including the conditional one) has only been exploited in second-order form. A self-consistent Born approximation for the system-electrode coupling is further proposed to recover all existing nonlinear current-voltage behaviors including the nonequilibrium Kondo effect. Transport theory based on the exact QDT formalism will be developed in future. In Chapter 8, we study the quantum measurement of a qubit with a quantum-point-contact detector. On the basis of a unified quantum master equation (a form of QDT), we study the measurement-induced relaxation and dephasing of the qubit. Our treatment pays particular attention on the detailed-balance relation, which is a consequence of properly accounting for the energy exchange between the qubit and detector during the measurement process. We also derive a conditional quantum master equation for quantum measurement in general, and study the readout characteristics of the qubit measurement. Our theory is applicable to the quantum measurement at arbitrary voltage and temperature. A number of remarkable new features are found and highlighted in concern with their possible relevance to future experiments. In Chapter 9, we discuss the further development of QDT, aiming at an efficient evaluation of many-electron systems. This will be carried out by reducing the many-particle (Fermion or Boson) QDT to a single-particle one by exploring, e.g. the Wick's contraction theorem. It also results in a time-dependent density functional theory (TDDFT) for transport through complex large-scale (e.g. molecules) systems. Primary results of the TDDFT-QDT are reported. In Chapter 10, we summary the thesis, and comment and remark on the future work on both the theoretical and application aspects of QDT.

Exact Solution of a Strongly Coupled Gauge Theory in 0 +1 Dimensions

NASA Astrophysics Data System (ADS)

Krishnan, Chethan; Kumar, K. V. Pavan

2018-05-01

Gauged tensor models are a class of strongly coupled quantum mechanical theories. We present the exact analytic solution of a specific example of such a theory: namely, the smallest colored tensor model due to Gurau and Witten that exhibits nonlinearities. We find explicit analytic expressions for the eigenvalues and eigenstates, and the former agree precisely with previous numerical results on (a subset of) eigenvalues of the ungauged theory. The physics of the spectrum, despite the smallness of N , exhibits rudimentary signatures of chaos. This Letter is a summary of our main results: the technical details will appear in companion paper [C. Krishnan and K. V. Pavan Kumar, Complete solution of a gauged tensor model, arXiv:1804.10103].

Conditions for Lorentz-invariant superluminal information transfer without signaling

NASA Astrophysics Data System (ADS)

Grössing, G.; Fussy, S.; Mesa Pascasio, J.; Schwabl, H.

2016-03-01

We understand emergent quantum mechanics in the sense that quantum mechanics describes processes of physical emergence relating an assumed sub-quantum physics to macroscopic boundary conditions. The latter can be shown to entail top-down causation, in addition to usual bottom-up scenarios. With this example it is demonstrated that definitions of “realism” in the literature are simply too restrictive. A prevailing manner to define realism in quantum mechanics is in terms of pre-determination independent of the measurement. With our counter-example, which actually is ubiquitous in emergent, or self-organizing, systems, we argue for realism without pre-determination. We refer to earlier results of our group showing how the guiding equation of the de Broglie-Bohm interpretation can be derived from a theory with classical ingredients only. Essentially, this corresponds to a “quantum mechanics without wave functions” in ordinary 3-space, albeit with nonlocal correlations. This, then, leads to the central question of how to deal with the nonlocality problem in a relativistic setting. We here show that a basic argument discussing the allegedly paradox time ordering of events in EPR-type two-particle experiments falls short of taking into account the contextuality of the experimental setup. Consequently, we then discuss under which circumstances (i.e. physical premises) superluminal information transfer (but not signaling) may be compatible with a Lorentz-invariant theory. Finally, we argue that the impossibility of superluminal signaling - despite the presence of superluminal information transfer - is not the result of some sort of conspiracy (á la “Nature likes to hide”), but the consequence of the impossibility to exactly reproduce in repeated experimental runs a state's preparation, or of the no-cloning theorem, respectively.

Functional determinants, index theorems, and exact quantum black hole entropy

NASA Astrophysics Data System (ADS)

Murthy, Sameer; Reys, Valentin

2015-12-01

The exact quantum entropy of BPS black holes can be evaluated using localization in supergravity. An important ingredient in this program, that has been lacking so far, is the one-loop effect arising from the quadratic fluctuations of the exact deformation (the QV operator). We compute the fluctuation determinant for vector multiplets and hyper multiplets around Q-invariant off-shell configurations in four-dimensional N=2 supergravity with AdS 2 × S 2 boundary conditions, using the Atiyah-Bott fixed-point index theorem and a subsequent zeta function regularization. Our results extend the large-charge on-shell entropy computations in the literature to a regime of finite charges. Based on our results, we present an exact formula for the quantum entropy of BPS black holes in N=2 supergravity. We explain cancellations concerning 1/8 -BPS black holes in N=8 supergravity that were observed in arXiv:1111.1161. We also make comments about the interpretation of a logarithmic term in the topological string partition function in the low energy supergravity theory.

Non-Markovian optimal sideband cooling

NASA Astrophysics Data System (ADS)

Triana, Johan F.; Pachon, Leonardo A.

2018-04-01

Optimal control theory is applied to sideband cooling of nano-mechanical resonators. The formulation described here makes use of exact results derived by means of the path-integral approach of quantum dynamics, so that no approximation is invoked. It is demonstrated that the intricate interplay between time-dependent fields and structured thermal bath may lead to improve results of the sideband cooling by an order of magnitude. Cooling is quantified by means of the mean number of phonons of the mechanical modes as well as by the von Neumann entropy. Potencial extension to non-linear systems, by means of semiclassical methods, is briefly discussed.

Integrable models of quantum optics

NASA Astrophysics Data System (ADS)

Yudson, Vladimir; Makarov, Aleksander

2017-10-01

We give an overview of exactly solvable many-body models of quantum optics. Among them is a system of two-level atoms which interact with photons propagating in a one-dimensional (1D) chiral waveguide; exact eigenstates of this system can be explicitly constructed. This approach is used also for a system of closely located atoms in the usual (non-chiral) waveguide or in 3D space. Moreover, it is shown that for an arbitrary atomic system with a cascade spontaneous radiative decay, the fluorescence spectrum can be described by an exact analytic expression which accounts for interference of emitted photons. Open questions related with broken integrability are discussed.

Entanglement and thermodynamics after a quantum quench in integrable systems.

PubMed

Alba, Vincenzo; Calabrese, Pasquale

2017-07-25

Entanglement and entropy are key concepts standing at the foundations of quantum and statistical mechanics. Recently, the study of quantum quenches revealed that these concepts are intricately intertwined. Although the unitary time evolution ensuing from a pure state maintains the system at zero entropy, local properties at long times are captured by a statistical ensemble with nonzero thermodynamic entropy, which is the entanglement accumulated during the dynamics. Therefore, understanding the entanglement evolution unveils how thermodynamics emerges in isolated systems. Alas, an exact computation of the entanglement dynamics was available so far only for noninteracting systems, whereas it was deemed unfeasible for interacting ones. Here, we show that the standard quasiparticle picture of the entanglement evolution, complemented with integrability-based knowledge of the steady state and its excitations, leads to a complete understanding of the entanglement dynamics in the space-time scaling limit. We thoroughly check our result for the paradigmatic Heisenberg chain.

Entanglement and thermodynamics after a quantum quench in integrable systems

NASA Astrophysics Data System (ADS)

Alba, Vincenzo; Calabrese, Pasquale

2017-07-01

Entanglement and entropy are key concepts standing at the foundations of quantum and statistical mechanics. Recently, the study of quantum quenches revealed that these concepts are intricately intertwined. Although the unitary time evolution ensuing from a pure state maintains the system at zero entropy, local properties at long times are captured by a statistical ensemble with nonzero thermodynamic entropy, which is the entanglement accumulated during the dynamics. Therefore, understanding the entanglement evolution unveils how thermodynamics emerges in isolated systems. Alas, an exact computation of the entanglement dynamics was available so far only for noninteracting systems, whereas it was deemed unfeasible for interacting ones. Here, we show that the standard quasiparticle picture of the entanglement evolution, complemented with integrability-based knowledge of the steady state and its excitations, leads to a complete understanding of the entanglement dynamics in the space-time scaling limit. We thoroughly check our result for the paradigmatic Heisenberg chain.

Quantum oscillations of nitrogen atoms in uranium nitride

NASA Astrophysics Data System (ADS)

Aczel, A. A.; Granroth, G. E.; MacDougall, G. J.; Buyers, W. J. L.; Abernathy, D. L.; Samolyuk, G. D.; Stocks, G. M.; Nagler, S. E.

2012-10-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

Quantum oscillations of nitrogen atoms in uranium nitride.

PubMed

Aczel, A A; Granroth, G E; Macdougall, G J; Buyers, W J L; Abernathy, D L; Samolyuk, G D; Stocks, G M; Nagler, S E

2012-01-01

The vibrational excitations of crystalline solids corresponding to acoustic or optic one-phonon modes appear as sharp features in measurements such as neutron spectroscopy. In contrast, many-phonon excitations generally produce a complicated, weak and featureless response. Here we present time-of-flight neutron scattering measurements for the binary solid uranium nitride, showing well-defined, equally spaced, high-energy vibrational modes in addition to the usual phonons. The spectrum is that of a single atom, isotropic quantum harmonic oscillator and characterizes independent motions of light nitrogen atoms, each found in an octahedral cage of heavy uranium atoms. This is an unexpected and beautiful experimental realization of one of the fundamental, exactly solvable problems in quantum mechanics. There are also practical implications, as the oscillator modes must be accounted for in the design of generation IV nuclear reactors that plan to use uranium nitride as a fuel.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marquette, Ian, E-mail: i.marquette@uq.edu.au; Quesne, Christiane, E-mail: cquesne@ulb.ac.be

The purpose of this communication is to point out the connection between a 1D quantum Hamiltonian involving the fourth Painlevé transcendent P{sub IV}, obtained in the context of second-order supersymmetric quantum mechanics and third-order ladder operators, with a hierarchy of families of quantum systems called k-step rational extensions of the harmonic oscillator and related with multi-indexed X{sub m{sub 1,m{sub 2,…,m{sub k}}}} Hermite exceptional orthogonal polynomials of type III. The connection between these exactly solvable models is established at the level of the equivalence of the Hamiltonians using rational solutions of the fourth Painlevé equation in terms of generalized Hermite andmore » Okamoto polynomials. We also relate the different ladder operators obtained by various combinations of supersymmetric constructions involving Darboux-Crum and Krein-Adler supercharges, their zero modes and the corresponding energies. These results will demonstrate and clarify the relation observed for a particular case in previous papers.« less

Surpassing the no-cloning limit with a heralded hybrid linear amplifier for coherent states

PubMed Central

Haw, Jing Yan; Zhao, Jie; Dias, Josephine; Assad, Syed M.; Bradshaw, Mark; Blandino, Rémi; Symul, Thomas; Ralph, Timothy C.; Lam, Ping Koy

2016-01-01

The no-cloning theorem states that an unknown quantum state cannot be cloned exactly and deterministically due to the linearity of quantum mechanics. Associated with this theorem is the quantitative no-cloning limit that sets an upper bound to the quality of the generated clones. However, this limit can be circumvented by abandoning determinism and using probabilistic methods. Here, we report an experimental demonstration of probabilistic cloning of arbitrary coherent states that clearly surpasses the no-cloning limit. Our scheme is based on a hybrid linear amplifier that combines an ideal deterministic linear amplifier with a heralded measurement-based noiseless amplifier. We demonstrate the production of up to five clones with the fidelity of each clone clearly exceeding the corresponding no-cloning limit. Moreover, since successful cloning events are heralded, our scheme has the potential to be adopted in quantum repeater, teleportation and computing applications. PMID:27782135

Number-theoretic nature of communication in quantum spin systems.

PubMed

Godsil, Chris; Kirkland, Stephen; Severini, Simone; Smith, Jamie

2012-08-03

The last decade has witnessed substantial interest in protocols for transferring information on networks of quantum mechanical objects. A variety of control methods and network topologies have been proposed, on the basis that transfer with perfect fidelity-i.e., deterministic and without information loss-is impossible through unmodulated spin chains with more than a few particles. Solving the original problem formulated by Bose [Phys. Rev. Lett. 91, 207901 (2003)], we determine the exact number of qubits in unmodulated chains (with an XY Hamiltonian) that permit transfer with a fidelity arbitrarily close to 1, a phenomenon called pretty good state transfer. We prove that this happens if and only if the number of nodes is n = p - 1, 2p - 1, where p is a prime, or n = 2(m) - 1. The result highlights the potential of quantum spin system dynamics for reinterpreting questions about the arithmetic structure of integers and, in this case, primality.

Tunneling Flight Time, Chemistry, and Special Relativity.

PubMed

Petersen, Jakob; Pollak, Eli

2017-09-07

Attosecond ionization experiments have not resolved the question "What is the tunneling time?". Different definitions of tunneling time lead to different results. Second, a zero tunneling time for a material particle suggests that the nonrelativistic theory includes speeds greater than the speed of light. Chemical reactions, occurring via tunneling, should then not be considered in terms of a nonrelativistic quantum theory calling into question quantum dynamics computations on tunneling reactions. To answer these questions, we define a new experimentally measurable paradigm, the tunneling flight time, and show that it vanishes for scattering through an Eckart or a square barrier, irrespective of barrier length or height, generalizing the Hartman effect. We explain why this result does not lead to experimental measurement of speeds greater than the speed of light. We show that this tunneling is an incoherent process by comparing a classical Wigner theory with exact quantum mechanical computations.

Entanglement and thermodynamics after a quantum quench in integrable systems

PubMed Central

Alba, Vincenzo; Calabrese, Pasquale

2017-01-01

Entanglement and entropy are key concepts standing at the foundations of quantum and statistical mechanics. Recently, the study of quantum quenches revealed that these concepts are intricately intertwined. Although the unitary time evolution ensuing from a pure state maintains the system at zero entropy, local properties at long times are captured by a statistical ensemble with nonzero thermodynamic entropy, which is the entanglement accumulated during the dynamics. Therefore, understanding the entanglement evolution unveils how thermodynamics emerges in isolated systems. Alas, an exact computation of the entanglement dynamics was available so far only for noninteracting systems, whereas it was deemed unfeasible for interacting ones. Here, we show that the standard quasiparticle picture of the entanglement evolution, complemented with integrability-based knowledge of the steady state and its excitations, leads to a complete understanding of the entanglement dynamics in the space–time scaling limit. We thoroughly check our result for the paradigmatic Heisenberg chain. PMID:28698379

Quantum regression theorem and non-Markovianity of quantum dynamics

NASA Astrophysics Data System (ADS)

Guarnieri, Giacomo; Smirne, Andrea; Vacchini, Bassano

2014-08-01

We explore the connection between two recently introduced notions of non-Markovian quantum dynamics and the validity of the so-called quantum regression theorem. While non-Markovianity of a quantum dynamics has been defined looking at the behavior in time of the statistical operator, which determines the evolution of mean values, the quantum regression theorem makes statements about the behavior of system correlation functions of order two and higher. The comparison relies on an estimate of the validity of the quantum regression hypothesis, which can be obtained exactly evaluating two-point correlation functions. To this aim we consider a qubit undergoing dephasing due to interaction with a bosonic bath, comparing the exact evaluation of the non-Markovianity measures with the violation of the quantum regression theorem for a class of spectral densities. We further study a photonic dephasing model, recently exploited for the experimental measurement of non-Markovianity. It appears that while a non-Markovian dynamics according to either definition brings with itself violation of the regression hypothesis, even Markovian dynamics can lead to a failure of the regression relation.

Exact microstate counting for dyonic black holes in AdS4

NASA Astrophysics Data System (ADS)

Benini, Francesco; Hristov, Kiril; Zaffaroni, Alberto

2017-08-01

We present a counting of microstates of a class of dyonic BPS black holes in AdS4 which precisely reproduces their Bekenstein-Hawking entropy. The counting is performed in the dual boundary description, that provides a non-perturbative definition of quantum gravity, in terms of a twisted and mass-deformed ABJM theory. We evaluate its twisted index and propose an extremization principle to extract the entropy, which reproduces the attractor mechanism in gauged supergravity.

Davydov Solitons in Polypeptides

NASA Astrophysics Data System (ADS)

Scott, A. C.

1985-08-01

The experimental evidence for self-trapping of amide-I (CO stretching) vibrational energy in crystalline acetanilide (a model protein) is reviewed and related to A. S. Davydov's theory of solitons as a mechanism for energy storage and transport in protein. Particular attention is paid to the construction of quantum states that contain N amide-I vibrational quanta. It is noted that the `N = 2' state is almost exactly resonant with the free energy that is released upon hydrolysis of adenosine triphosphate.

Target electron collision effects on energy loss straggling of protons in an electron gas at any degeneracy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barriga-Carrasco, Manuel D.

2008-03-15

The purpose of the present paper is to describe the effects of target electron collisions on proton energy loss straggling in plasmas at any degeneracy. Targets are considered fully ionized so electronic energy loss is only due to the free electrons. The analysis is focused on targets with electronic density around solid values n{sub e}{approx_equal}10{sup 23} cm{sup -3} and with temperature around T{approx_equal}10 eV; these targets are in the limit of weakly coupled electron gases. These types of plasma targets have not been studied extensively, though they are very important for inertial confinement fusion. The energy loss straggling is obtainedmore » from an exact quantum-mechanical evaluation, which takes into account the degeneracy of the target plasma, and later it is compared with common classical and degenerate approximations. Then electron collisions in the exact quantum-mechanical straggling calculation are considered. Now the energy loss straggling is enhanced for energies smaller than the energy before the maximum, then decreases around this maximum, and finally tends to the same values with respect to noncollisional calculation. Differences with the same results but not taking into account these collisions are as far as 17% in the cases analyzed. As an example, proton range distributions have been calculated to show the importance of an accurate energy straggling calculation.« less

Nuclear Spin Attenuates the Anesthetic Potency of Xenon Isotopes in Mice: Implications for the Mechanisms of Anesthesia and Consciousness.

PubMed

Li, Na; Lu, Dongshi; Yang, Lei; Tao, Huan; Xu, Younian; Wang, Chenchen; Fu, Lisha; Liu, Hui; Chummum, Yatisha; Zhang, Shihai

2018-04-11

Xenon is an elemental anesthetic with nine stable isotopes. Nuclear spin is a quantum property which may differ among isotopes. Xenon 131 (Xe) has nuclear spin of 3/2, xenon 129 (Xe) a nuclear spin of 1/2, and the other seven isotopes have no nuclear spin. This study was aimed to explore the effect of nuclear spin on xenon anesthetic potency. Eighty C57BL/6 male mice (7 weeks old) were randomly divided into four groups, xenon 132 (Xe), xenon 134 (Xe), Xe, and Xe groups. Due to xenon's low potency, loss of righting reflex ED50 for mice to xenon was determined with 0.50% isoflurane. Loss of righting reflex ED50 of isoflurane was also measured, and the loss of righting reflex ED50 values of the four xenon isotopes were then calculated. The exact polarizabilities of the isotopes were calculated. Combined with 0.50% isoflurane, the loss of righting reflex ED50 values were 15 ± 4%, 16 ± 5%, 22 ± 5%, and 23 ± 7% for Xe, Xe, Xe, and Xe, respectively. For xenon alone, the loss of righting reflex ED50 values of Xe, Xe, Xe, and Xe were 70 ± 4%, 72 ± 5%, 99 ± 5%, and 105 ± 7%, respectively. Four isotopes had a same exact polarizability of 3.60 Å. Xenon isotopes with nuclear spin are less potent than those without, and polarizability cannot account for the difference. The lower anesthetic potency of Xe may be the result of it participating in conscious processing and therefore partially antagonizing its own anesthetic potency. Nuclear spin is a quantum property, and our results are consistent with theories that implicate quantum mechanisms in consciousness.

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

NASA Astrophysics Data System (ADS)

Halverson, Thomas; Poirier, Bill

2015-03-01

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

Interest rates in quantum finance: Caps, swaptions and bond options

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.

2010-01-01

The prices of the main interest rate options in the financial markets, derived from the Libor (London Interbank Overnight Rate), are studied in the quantum finance model of interest rates. The option prices show new features for the Libor Market Model arising from the fact that, in the quantum finance formulation, all the different Libor payments are coupled and (imperfectly) correlated. Black’s caplet formula for quantum finance is given an exact path integral derivation. The coupon and zero coupon bond options as well as the Libor European and Asian swaptions are derived in the framework of quantum finance. The approximate Libor option prices are derived using the volatility expansion. The BGM-Jamshidian (Gatarek et al. (1996) [1], Jamshidian (1997) [2]) result for the Libor swaption prices is obtained as the limiting case when all the Libors are exactly correlated. A path integral derivation is given of the approximate BGM-Jamshidian approximate price.

Theoretical study of dynamic electron-spin-polarization via the doublet-quartet quantum-mixed state and time-resolved ESR spectra of the quartet high-spin state.

PubMed

Teki, Yoshio; Matsumoto, Takafumi

2011-04-07

The mechanism of the unique dynamic electron polarization of the quartet (S = 3/2) high-spin state via a doublet-quartet quantum-mixed state and detail theoretical calculations of the population transfer are reported. By the photo-induced electron transfer, the quantum-mixed charge-separate state is generated in acceptor-donor-radical triad (A-D-R). This mechanism explains well the unique dynamic electron polarization of the quartet state of A-D-R. The generation of the selectively populated quantum-mixed state and its transfer to the strongly coupled pure quartet and doublet states have been treated both by a perturbation approach and by exact numerical calculations. The analytical solutions show that generation of the quantum-mixed states with the selective populations after de-coherence and/or accompanying the (complete) dephasing during the charge-recombination are essential for the unique dynamic electron polarization. Thus, the elimination of the quantum coherence (loss of the quantum information) is the key process for the population transfer from the quantum-mixed state to the quartet state. The generation of high-field polarization on the strongly coupled quartet state by the charge-recombination process can be explained by a polarization transfer from the quantum-mixed charge-separate state. Typical time-resolved ESR patterns of the quantum-mixed state and of the strongly coupled quartet state are simulated based on the generation mechanism of the dynamic electron polarization. The dependence of the spectral pattern of the quartet high-spin state has been clarified for the fine-structure tensor and the exchange interaction of the quantum-mixed state. The spectral pattern of the quartet state is not sensitive towards the fine-structure tensor of the quantum-mixed state, because this tensor contributes only as a perturbation in the population transfer to the spin-sublevels of the quartet state. Based on the stochastic Liouville equation, it is also discussed why the selective population in the quantum-mixed state is generated for the "finite field" spin-sublevels. The numerical calculations of the elimination of the quantum coherence (de-coherence and/or dephasing) are demonstrated. A new possibility of the enhanced intersystem crossing pathway in solution is also proposed.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

NASA Astrophysics Data System (ADS)

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-07-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices.

Information Conservation is Fundamental: Recovering the Lost Information in Hawking Radiation

NASA Astrophysics Data System (ADS)

Zhang, Baocheng; Cai, Qing-Yu; Zhan, Ming-Sheng; You, Li

2013-06-01

In both classical and quantum world, information cannot appear or disappear. This fundamental principle, however, is questioned for a black hole, by the acclaimed "information loss paradox." Based on the conservation laws of energy, charge, and angular momentum, we recently show the total information encoded in the correlations among Hawking radiations equals exactly to the same amount previously considered lost, assuming the nonthermal spectrum of Parikh and Wilczek. Thus the information loss paradox can be falsified through experiments by detecting correlations, for instance, through measuring the covariances of Hawking radiations from black holes, such as the manmade ones speculated to appear in LHC experiments. The affirmation of information conservation in Hawking radiation will shine new light on the unification of gravity with quantum mechanics.

A thought construction of working perpetuum mobile of the second kind

NASA Astrophysics Data System (ADS)

Čápek, V.; Bok, J.

1999-12-01

The previously published model of the isothermal Maxwell demon as one of models of open quantum systems endowed with the faculty of selforganization is reconstructed here. It describes an open quantum system interacting with a single thermodynamic bath but otherwise not aided from outside. Its activity is given by the standard linear Liouville equation for the system and bath. Owing to its selforganization property, the model then yields cyclic conversion of heat from the bath into mechanical work without compensation. Hence, it provides an explicit thought construction of perpetuum mobile of the second kind, contradicting thus the Thomson formulation of the second law of thermodynamics. No approximation is involved as a special scaling procedure is used which makes the employed kinetic equations exact.

Space and time renormalization in phase transition dynamics

DOE PAGES

Francuz, Anna; Dziarmaga, Jacek; Gardas, Bartłomiej; ...

2016-02-18

Here, when a system is driven across a quantum critical point at a constant rate, its evolution must become nonadiabatic as the relaxation time τ diverges at the critical point. According to the Kibble-Zurek mechanism (KZM), the emerging post-transition excited state is characterized by a finite correlation length ξˆ set at the time tˆ=τˆ when the critical slowing down makes it impossible for the system to relax to the equilibrium defined by changing parameters. This observation naturally suggests a dynamical scaling similar to renormalization familiar from the equilibrium critical phenomena. We provide evidence for such KZM-inspired spatiotemporal scaling by investigatingmore » an exact solution of the transverse field quantum Ising chain in the thermodynamic limit.« less

Monolayer phosphorene under time-dependent magnetic field

NASA Astrophysics Data System (ADS)

Nascimento, J. P. G.; Aguiar, V.; Guedes, I.

2018-02-01

We obtain the exact wave function of a monolayer phosphorene under a low-intensity time-dependent magnetic field using the dynamical invariant method. We calculate the quantum-mechanical energy expectation value and the transition probability for a constant and an oscillatory magnetic field. For the former we observe that the Landau level energy varies linearly with the quantum numbers n and m and the magnetic field intensity B0. No transition takes place. For the latter, we observe that the energy oscillates in time, increasing linearly with the Landau level n and m and nonlinearly with the magnetic field. The (k , l) →(n , m) transitions take place only for l = m. We investigate the (0,0) →(n , 0) and (1 , l) and (2 , l) probability transitions.

Quantum dot in interacting environments

NASA Astrophysics Data System (ADS)

Rylands, Colin; Andrei, Natan

2018-04-01

A quantum impurity attached to an interacting quantum wire gives rise to an array of new phenomena. Using the Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum dot that is (i) side coupled and (ii) embedded in a Luttinger liquid. We find the eigenstates and determine the spectrum through the Bethe Ansatz equations. Using this we derive exact expressions for the ground-state dot occupation. The thermodynamics are then studied using the thermodynamics Bethe Ansatz equations. It is shown that at low energies the dot becomes fully hybridized and acts as a backscattering impurity or tunnel junction depending on the geometry and furthermore that the two geometries are related by changing the sign of the interactions. Although remaining strongly coupled for all values of the interaction in the wire, there exists competition between the tunneling and backscattering leading to a suppression or enhancement of the dot occupation depending on the sign of the bulk interactions.

Time-dependent nonlinear Jaynes-Cummings dynamics of a trapped ion

NASA Astrophysics Data System (ADS)

Krumm, F.; Vogel, W.

2018-04-01

In quantum interaction problems with explicitly time-dependent interaction Hamiltonians, the time ordering plays a crucial role for describing the quantum evolution of the system under consideration. In such complex scenarios, exact solutions of the dynamics are rarely available. Here we study the nonlinear vibronic dynamics of a trapped ion, driven in the resolved sideband regime with some small frequency mismatch. By describing the pump field in a quantized manner, we are able to derive exact solutions for the dynamics of the system. This eventually allows us to provide analytical solutions for various types of time-dependent quantities. In particular, we study in some detail the electronic and the motional quantum dynamics of the ion, as well as the time evolution of the nonclassicality of the motional quantum state.

Magnetization of InAs parabolic quantum dot: An exact diagonalization approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aswathy, K. M., E-mail: aswathykm20@gmail.com; Sanjeev Kumar, D.

2016-04-13

The magnetization of two electron InAs quantum dot has been studied as a function of magnetic field. The electron-electron interaction has been taken into account by using exact diagonalization method numerically. The magnetization at zero external magnetic field is zero and increases in the negative direction. There is also a paramagnetic peak where the energy levels cross from singlet state to triplet state. Finally, the magnetization falls again to even negative values and saturates.

Quantum mechanical wavefunction: visualization at undergraduate level

NASA Astrophysics Data System (ADS)

Chhabra, Mahima; Das, Ritwick

2017-01-01

Quantum mechanics (QM) forms the most crucial ingredient of modern-era physical science curricula at undergraduate level. The abstract ideas involved in QM related concepts pose a challenge towards appropriate visualization as a consequence of their counter-intuitive nature and lack of experiment-assisted visualization tools. At the heart of the quantum mechanical formulation lies the concept of ‘wavefunction’, which forms the basis for understanding the behavior of physical systems. At undergraduate level, the concept of ‘wavefunction’ is introduced in an abstract framework using mathematical tools and therefore opens up an enormous scope for alternative conceptions and erroneous visualization. The present work is an attempt towards exploring the visualization models constructed by undergraduate students for appreciating the concept of ‘wavefunction’. We present a qualitative analysis of the data obtained from administering a questionnaire containing four visualization based questions on the topic of ‘wavefunction’ to a group of ten undergraduate-level students at an institute in India which excels in teaching and research of basic sciences. Based on the written responses, all ten students were interviewed in detail to unravel the exact areas of difficulty in visualization of ‘wavefunction’. The outcome of present study not only reveals the gray areas in students’ conceptualization, but also provides a plausible route to address the issues at the pedagogical level within the classroom.

Supercritical entanglement in local systems: Counterexample to the area law for quantum matter.

PubMed

Movassagh, Ramis; Shor, Peter W

2016-11-22

Quantum entanglement is the most surprising feature of quantum mechanics. Entanglement is simultaneously responsible for the difficulty of simulating quantum matter on a classical computer and the exponential speedups afforded by quantum computers. Ground states of quantum many-body systems typically satisfy an "area law": The amount of entanglement between a subsystem and the rest of the system is proportional to the area of the boundary. A system that obeys an area law has less entanglement and can be simulated more efficiently than a generic quantum state whose entanglement could be proportional to the total system's size. Moreover, an area law provides useful information about the low-energy physics of the system. It is widely believed that for physically reasonable quantum systems, the area law cannot be violated by more than a logarithmic factor in the system's size. We introduce a class of exactly solvable one-dimensional physical models which we can prove have exponentially more entanglement than suggested by the area law, and violate the area law by a square-root factor. This work suggests that simple quantum matter is richer and can provide much more quantum resources (i.e., entanglement) than expected. In addition to using recent advances in quantum information and condensed matter theory, we have drawn upon various branches of mathematics such as combinatorics of random walks, Brownian excursions, and fractional matching theory. We hope that the techniques developed herein may be useful for other problems in physics as well.

Supercritical entanglement in local systems: Counterexample to the area law for quantum matter

PubMed Central

Movassagh, Ramis; Shor, Peter W.

2016-01-01

Quantum entanglement is the most surprising feature of quantum mechanics. Entanglement is simultaneously responsible for the difficulty of simulating quantum matter on a classical computer and the exponential speedups afforded by quantum computers. Ground states of quantum many-body systems typically satisfy an “area law”: The amount of entanglement between a subsystem and the rest of the system is proportional to the area of the boundary. A system that obeys an area law has less entanglement and can be simulated more efficiently than a generic quantum state whose entanglement could be proportional to the total system’s size. Moreover, an area law provides useful information about the low-energy physics of the system. It is widely believed that for physically reasonable quantum systems, the area law cannot be violated by more than a logarithmic factor in the system’s size. We introduce a class of exactly solvable one-dimensional physical models which we can prove have exponentially more entanglement than suggested by the area law, and violate the area law by a square-root factor. This work suggests that simple quantum matter is richer and can provide much more quantum resources (i.e., entanglement) than expected. In addition to using recent advances in quantum information and condensed matter theory, we have drawn upon various branches of mathematics such as combinatorics of random walks, Brownian excursions, and fractional matching theory. We hope that the techniques developed herein may be useful for other problems in physics as well. PMID:27821725

Partition-free approach to open quantum systems in harmonic environments: An exact stochastic Liouville equation

NASA Astrophysics Data System (ADS)

McCaul, G. M. G.; Lorenz, C. D.; Kantorovich, L.

2017-03-01

We present a partition-free approach to the evolution of density matrices for open quantum systems coupled to a harmonic environment. The influence functional formalism combined with a two-time Hubbard-Stratonovich transformation allows us to derive a set of exact differential equations for the reduced density matrix of an open system, termed the extended stochastic Liouville-von Neumann equation. Our approach generalizes previous work based on Caldeira-Leggett models and a partitioned initial density matrix. This provides a simple, yet exact, closed-form description for the evolution of open systems from equilibriated initial conditions. The applicability of this model and the potential for numerical implementations are also discussed.

Thermal density functional theory, ensemble density functional theory, and potential functional theory for warm dense matter

NASA Astrophysics Data System (ADS)

Pribram-Jones, Aurora

Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the potential to transform the simulation of warm dense matter. As a semiclassical method, it connects the normally disparate regimes of cold condensed matter physics and hot plasma physics. This orbital-free approach captures the smooth classical density envelope and quantum density oscillations that are both crucial to accurate modeling of materials where temperature and pressure effects are influential.

Dolan Grady relations and noncommutative quasi-exactly solvable systems

NASA Astrophysics Data System (ADS)

Klishevich, Sergey M.; Plyushchay, Mikhail S.

2003-11-01

We investigate a U(1) gauge invariant quantum mechanical system on a 2D noncommutative space with coordinates generating a generalized deformed oscillator algebra. The Hamiltonian is taken as a quadratic form in gauge covariant derivatives obeying the nonlinear Dolan-Grady relations. This restricts the structure function of the deformed oscillator algebra to a quadratic polynomial. The cases when the coordinates form the {\\mathfrak{su}}(2) and {\\mathfrak{sl}}(2,{\\bb {R}}) algebras are investigated in detail. Reducing the Hamiltonian to 1D finite-difference quasi-exactly solvable operators, we demonstrate partial algebraization of the spectrum of the corresponding systems on the fuzzy sphere and noncommutative hyperbolic plane. A completely covariant method based on the notion of intrinsic algebra is proposed to deal with the spectral problem of such systems.

Exact soliton of (2 + 1)-dimensional fractional Schrödinger equation

NASA Astrophysics Data System (ADS)

Rizvi, S. T. R.; Ali, K.; Bashir, S.; Younis, M.; Ashraf, R.; Ahmad, M. O.

2017-07-01

The nonlinear fractional Schrödinger equation is the basic equation of fractional quantum mechanics introduced by Nick Laskin in 2002. We apply three tools to solve this mathematical-physical model. First, we find the solitary wave solutions including the trigonometric traveling wave solutions, bell and kink shape solitons using the F-expansion and Improve F-expansion method. We also obtain the soliton solution, singular soliton solutions, rational function solution and elliptic integral function solutions, with the help of the extended trial equation method.

Hamiltonian and potentials in derivative pricing models: exact results and lattice simulations

NASA Astrophysics Data System (ADS)

Baaquie, Belal E.; Corianò, Claudio; Srikant, Marakani

2004-03-01

The pricing of options, warrants and other derivative securities is one of the great success of financial economics. These financial products can be modeled and simulated using quantum mechanical instruments based on a Hamiltonian formulation. We show here some applications of these methods for various potentials, which we have simulated via lattice Langevin and Monte Carlo algorithms, to the pricing of options. We focus on barrier or path dependent options, showing in some detail the computational strategies involved.

Davydov solitons in polypeptides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scott, A.

1984-10-01

The experimental evidence for self-trapping of amide-I (CO stretching) vibrational energy in crystalline acetanilide (a model protein) is reviewed and related to A. S. Davydov's theory of solitons as a mechanism for energy storage and transport in protein. Particular attention is paid to the construction of quantum states that contain N amide-I vibrational quanta. It is noted that the N = 2 state is almost exactly resonant with the free energy that is released upon hydrolysis of adenosine triphosphate. 30 references, 4 figures, 3 tables.

Research on Quantum Algorithms at the Institute for Quantum Information and Matter

DTIC Science & Technology

2016-05-29

local quantum computation with applications to position-based cryptography , New Journal of Physics, (09 2011): 0. doi: 10.1088/1367-2630/13/9/093036... cryptography , such as the ability to turn private-key encryption into public-key encryption. While ad hoc obfuscators exist, theoretical progress has mainly...to device-independent quantum cryptography , to quantifying entanglement, and to the classification of quantum phases of matter. Exact synthesis

Effective photon mass and exact translating quantum relativistic structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haas, Fernando, E-mail: fernando.haas@ufrgs.br; Manrique, Marcos Antonio Albarracin, E-mail: sagret10@hotmail.com

2016-04-15

Using a variation of the celebrated Volkov solution, the Klein-Gordon equation for a charged particle is reduced to a set of ordinary differential equations, exactly solvable in specific cases. The new quantum relativistic structures can reveal a localization in the radial direction perpendicular to the wave packet propagation, thanks to a non-vanishing scalar potential. The external electromagnetic field, the particle current density, and the charge density are determined. The stability analysis of the solutions is performed by means of numerical simulations. The results are useful for the description of a charged quantum test particle in the relativistic regime, provided spinmore » effects are not decisive.« less

Power Spectrum of Long Eigenlevel Sequences in Quantum Chaotic Systems.

PubMed

Riser, Roman; Osipov, Vladimir Al; Kanzieper, Eugene

2017-05-19

We present a nonperturbative analysis of the power spectrum of energy level fluctuations in fully chaotic quantum structures. Focusing on systems with broken time-reversal symmetry, we employ a finite-N random matrix theory to derive an exact multidimensional integral representation of the power spectrum. The N→∞ limit of the exact solution furnishes the main result of this study-a universal, parameter-free prediction for the power spectrum expressed in terms of a fifth Painlevé transcendent. Extensive numerics lends further support to our theory which, as discussed at length, invalidates a traditional assumption that the power spectrum is merely determined by the spectral form factor of a quantum system.

Exact infinite-time statistics of the Loschmidt echo for a quantum quench.

PubMed

Campos Venuti, Lorenzo; Jacobson, N Tobias; Santra, Siddhartha; Zanardi, Paolo

2011-07-01

The equilibration dynamics of a closed quantum system is encoded in the long-time distribution function of generic observables. In this Letter we consider the Loschmidt echo generalized to finite temperature, and show that we can obtain an exact expression for its long-time distribution for a closed system described by a quantum XY chain following a sudden quench. In the thermodynamic limit the logarithm of the Loschmidt echo becomes normally distributed, whereas for small quenches in the opposite, quasicritical regime, the distribution function acquires a universal double-peaked form indicating poor equilibration. These findings, obtained by a central limit theorem-type result, extend to completely general models in the small-quench regime.

Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

DOE PAGES

Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; ...

2015-06-08

Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA)more » is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 10 3 sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 10 4 lattice sites and with some effort on 10 5 lattice sites, representing the record lattice sizes studied for this family of models.« less

Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris

Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA)more » is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 10 3 sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 10 4 lattice sites and with some effort on 10 5 lattice sites, representing the record lattice sizes studied for this family of models.« less

Communication, Correlation and Complementarity

NASA Astrophysics Data System (ADS)

Schumacher, Benjamin Wade

1990-01-01

In quantum communication, a sender prepares a quantum system in a state corresponding to his message and conveys it to a receiver, who performs a measurement on it. The receiver acquires information about the message based on the outcome of his measurement. Since the state of a single quantum system is not always completely determinable from measurement, quantum mechanics limits the information capacity of such channels. According to a theorem of Kholevo, the amount of information conveyed by the channel can be no greater than the entropy of the ensemble of possible physical signals. The connection between information and entropy allows general theorems to be proved regarding the energy requirements of communication. For example, it can be shown that one particular quantum coding scheme, called thermal coding, uses energy with maximum efficiency. A close analogy between communication and quantum correlation can be made using Everett's notion of relative states. Kholevo's theorem can be used to prove that the mutual information of a pair of observables on different systems is bounded by the entropy of the state of each system. This confirms and extends an old conjecture of Everett. The complementarity of quantum observables can be described by information-theoretic uncertainty relations, several of which have been previously derived. These relations imply limits on the degree to which different messages can be coded in complementary observables of a single channel. Complementarity also restricts the amount of information that can be recovered from a given channel using a given decoding observable. Information inequalities can be derived which are analogous to the well-known Bell inequalities for correlated quantum systems. These inequalities are satisfied for local hidden variable theories but are violated by quantum systems, even where the correlation is weak. These information inequalities are metric inequalities for an "information distance", and their structure can be made exactly analogous to that of the familiar covariance Bell inequalities by introducing a "covariance distance". Similar inequalities derived for successive measurements on a single system are also violated in quantum mechanics.

Measurement-induced randomness and state-merging

NASA Astrophysics Data System (ADS)

Chakrabarty, Indranil; Deshpande, Abhishek; Chatterjee, Sourav

In this work we introduce the randomness which is truly quantum mechanical in nature arising as an act of measurement. For a composite classical system, we have the joint entropy to quantify the randomness present in the total system and that happens to be equal to the sum of the entropy of one subsystem and the conditional entropy of the other subsystem, given we know the first system. The same analogy carries over to the quantum setting by replacing the Shannon entropy by the von Neumann entropy. However, if we replace the conditional von Neumann entropy by the average conditional entropy due to measurement, we find that it is different from the joint entropy of the system. We call this difference Measurement Induced Randomness (MIR) and argue that this is unique of quantum mechanical systems and there is no classical counterpart to this. In other words, the joint von Neumann entropy gives only the total randomness that arises because of the heterogeneity of the mixture and we show that it is not the total randomness that can be generated in the composite system. We generalize this quantity for N-qubit systems and show that it reduces to quantum discord for two-qubit systems. Further, we show that it is exactly equal to the change in the cost quantum state merging that arises because of the measurement. We argue that for quantum information processing tasks like state merging, the change in the cost as a result of discarding prior information can also be viewed as a rise of randomness due to measurement.

Universal adiabatic quantum computation via the space-time circuit-to-Hamiltonian construction.

PubMed

Gosset, David; Terhal, Barbara M; Vershynina, Anna

2015-04-10

We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique ground state by mapping our model onto the ferromagnetic XXZ chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its q-deformed version of SU(2) symmetry. We also discuss a related time-independent Hamiltonian which was shown by Janzing to be capable of universal computation. We observe that in the limit of large system size, the time evolution is equivalent to the exactly solvable quantum walk on Young's lattice.

Universal Adiabatic Quantum Computation via the Space-Time Circuit-to-Hamiltonian Construction

NASA Astrophysics Data System (ADS)

Gosset, David; Terhal, Barbara M.; Vershynina, Anna

2015-04-01

We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique ground state by mapping our model onto the ferromagnetic X X Z chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its q -deformed version of SU(2) symmetry. We also discuss a related time-independent Hamiltonian which was shown by Janzing to be capable of universal computation. We observe that in the limit of large system size, the time evolution is equivalent to the exactly solvable quantum walk on Young's lattice.

Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

PubMed

Sakurai, Atsunori; Tanimura, Yoshitaka

2011-04-28

To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the frequency fluctuation is small. Thus, we observed a distinct difference between the classical and quantum mechanically calculated multidimensional spectra in the slow modulation case where spectral diffusion plays a role. This fact indicates that one may not reproduce the experimentally obtained multidimensional spectrum for high-frequency vibrational modes based on classical molecular dynamics simulations if the modulation that arises from surrounding molecules is weak and slow. A practical way to overcome the difference between the classical and quantum simulations was discussed.

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 thatδxiδxj=δij2Dδt≡δij( / m . - m )δt. 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 )ψ=( pn-ipb )ψ, in pediatrician terms. Those ∇^2ρ( 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/

Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

PubMed

Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

2015-12-15

The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we numerically construct the exact electron-photon Kohn-Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light-matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account.

A gist of comprehensive review of hadronic chemistry and its applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tangde, Vijay M.

20{sup th} century theories of Quantum Mechanics and Quantum Chemistry are exactly valid only when considered to represent the atomic structures. While considering the more general aspects of atomic combinations these theories fail to explain all the related experimental data from first unadulterated axiomatic principles. According to Quantum Chemistry two valence electrons should repel each other and as such there is no mathematical representation of a strong attractive forces between such valence electrons. In view of these and other insufficiencies of Quantum Chemistry, an Italian-American Scientist Professor Ruggero Maria Santilli during his more than five decades of dedicated and sustainedmore » research has denounced the fact that quantum chemistry is mostly based on mere nomenclatures. Professor R M Santilli first formulated the iso-, geno- and hyper- mathematics [1, 2, 3, 4] that helped in understanding numerous diversified problems and removing inadequacies in most of the established and celebrated theories of 20th century physics and chemistry. This involves the isotopic, genotopic, etc. lifting of Lie algebra that generated Lie admissible mathematics to properly describe irreversible processes. The studies on Hadronic Mechanics in general and chemistry in particular based on Santilli’s mathematics[3, 4, 5] for the first time has removed the very fundamental limitations of quantum chemistry [2, 6, 7, 8]. In the present discussion, a comprehensive review of Hadronic Chemistry is presented that imparts the completeness to the Quantum Chemistry via an addition of effects at distances of the order of 1 fm (only) which are assumed to be Non-linear, Non-local, Non-potential, Non-hamiltonian and thus Non-unitary, stepwise successes of Hadronic Chemistry and its application in development of a new chemical species called Magnecules.« less

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization

NASA Astrophysics Data System (ADS)

Pérez, J. B.; Arce, J. C.

2018-06-01

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ˜1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Quantum dynamics of the intramolecular vibrational energy redistribution in OCS: From localization to quasi-thermalization.

PubMed

Pérez, J B; Arce, J C

2018-06-07

We report a fully quantum-dynamical study of the intramolecular vibrational energy redistribution (IVR) in the electronic ground state of carbonyl sulfide, which is a prototype of an isolated many-body quantum system with strong internal couplings and non-Rice-Ramsperger-Kassel-Marcus (RRKM) behavior. We pay particular attention to the role of many-body localization and the approach to thermalization, which currently are topics of considerable interest, as they pertain to the very foundations of statistical mechanics and thermodynamics. We employ local-mode (valence) coordinates and consider initial excitations localized in one local mode, with energies ranging from low to near the dissociation threshold, where the classical dynamics have been shown to be chaotic. We propagate the nuclear wavepacket on the potential energy surface by means of the numerically exact multiconfiguration time-dependent Hartree method and employ mean local energies, time-dependent and time-averaged populations in quantum number space, energy distributions, entanglement entropies, local population distributions, microcanonical averages, and dissociation probabilities, as diagnostic tools. This allows us to identify a continuous localization → delocalization transition in the energy flow, associated with the onset of quantum chaos, as the excitation energy increases up to near the dissociation threshold. Moreover, we find that at this energy and ∼1 ps the molecule nearly thermalizes. Furthermore, we observe that IVR is so slow that the molecule begins to dissociate well before such quasi-thermalization is complete, in accordance with earlier classical-mechanical predictions of non-RRKM behavior.

Statistical Mechanics and Applications in Condensed Matter

NASA Astrophysics Data System (ADS)

Di Castro, Carlo; Raimondi, Roberto

2015-08-01

Preface; 1. Thermodynamics: a brief overview; 2. Kinetics; 3. From Boltzmann to Gibbs; 4. More ensembles; 5. The thermodynamic limit and its thermodynamic stability; 6. Density matrix and quantum statistical mechanics; 7. The quantum gases; 8. Mean-field theories and critical phenomena; 9. Second quantization and Hartree-Fock approximation; 10. Linear response and fluctuation-dissipation theorem in quantum systems: equilibrium and small deviations; 11. Brownian motion and transport in disordered systems; 12. Fermi liquids; 13. The Landau theory of the second order phase transitions; 14. The Landau-Wilson model for critical phenomena; 15. Superfluidity and superconductivity; 16. The scaling theory; 17. The renormalization group approach; 18. Thermal Green functions; 19. The microscopic foundations of Fermi liquids; 20. The Luttinger liquid; 21. Quantum interference effects in disordered electron systems; Appendix A. The central limit theorem; Appendix B. Some useful properties of the Euler Gamma function; Appendix C. Proof of the second theorem of Yang and Lee; Appendix D. The most probable distribution for the quantum gases; Appendix E. Fermi-Dirac and Bose-Einstein integrals; Appendix F. The Fermi gas in a uniform magnetic field: Landau diamagnetism; Appendix G. Ising and gas-lattice models; Appendix H. Sum over discrete Matsubara frequencies; Appendix I. Hydrodynamics of the two-fluid model of superfluidity; Appendix J. The Cooper problem in the theory of superconductivity; Appendix K. Superconductive fluctuations phenomena; Appendix L. Diagrammatic aspects of the exact solution of the Tomonaga Luttinger model; Appendix M. Details on the theory of the disordered Fermi liquid; References; Author index; Index.

Exact mapping between system-reservoir quantum models and semi-infinite discrete chains using orthogonal polynomials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chin, Alex W.; Rivas, Angel; Huelga, Susana F.

2010-09-15

By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic modes to a Hamiltonian that describes a one-dimensional chain with only nearest-neighbor interactions. This analytical transformation predicts a simple set of relations between the parameters of the chain and the recurrence coefficients of the orthogonal polynomials used in the transformation and allows the chain parameters to be computed using numerically stable algorithms that have been developed to compute recurrence coefficients. We then prove some general properties of this chain systemmore » for a wide range of spectral functions and give examples drawn from physical systems where exact analytic expressions for the chain properties can be obtained. Crucially, the short-range interactions of the effective chain system permit these open-quantum systems to be efficiently simulated by the density matrix renormalization group methods.« less

Quantum Weak Values and Logic: An Uneasy Couple

NASA Astrophysics Data System (ADS)

Svensson, Bengt E. Y.

2017-03-01

Quantum mechanical weak values of projection operators have been used to answer which-way questions, e. g. to trace which arms in a multiple Mach-Zehnder setup a particle may have traversed from a given initial to a prescribed final state. I show that this procedure might lead to logical inconsistencies in the sense that different methods used to answer composite questions, like "Has the particle traversed the way X or the way Y?", may result in different answers depending on which methods are used to find the answer. I illustrate the problem by considering some examples: the "quantum pigeonhole" framework of Aharonov et al., the three-box problem, and Hardy's paradox. To prepare the ground for my main conclusion on the incompatibility in certain cases of weak values and logic, I study the corresponding situation for strong/projective measurements. In this case, no logical inconsistencies occur provided one is always careful in specifying exactly to which ensemble or sample space one refers. My results cast doubts on the utility of quantum weak values in treating cases like the examples mentioned.

On the Critical Behaviour, Crossover Point and Complexity of the Exact Cover Problem

NASA Technical Reports Server (NTRS)

Morris, Robin D.; Smelyanskiy, Vadim N.; Shumow, Daniel; Koga, Dennis (Technical Monitor)

2003-01-01

Research into quantum algorithms for NP-complete problems has rekindled interest in the detailed study a broad class of combinatorial problems. A recent paper applied the quantum adiabatic evolution algorithm to the Exact Cover problem for 3-sets (EC3), and provided an empirical evidence that the algorithm was polynomial. In this paper we provide a detailed study of the characteristics of the exact cover problem. We present the annealing approximation applied to EC3, which gives an over-estimate of the phase transition point. We also identify empirically the phase transition point. We also study the complexity of two classical algorithms on this problem: Davis-Putnam and Simulated Annealing. For these algorithms, EC3 is significantly easier than 3-SAT.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

PubMed Central

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-01-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices. PMID:26152705

Inverse problems in quantum chemistry

NASA Astrophysics Data System (ADS)

Karwowski, Jacek

Inverse problems constitute a branch of applied mathematics with well-developed methodology and formalism. A broad family of tasks met in theoretical physics, in civil and mechanical engineering, as well as in various branches of medical and biological sciences has been formulated as specific implementations of the general theory of inverse problems. In this article, it is pointed out that a number of approaches met in quantum chemistry can (and should) be classified as inverse problems. Consequently, the methodology used in these approaches may be enriched by applying ideas and theorems developed within the general field of inverse problems. Several examples, including the RKR method for the construction of potential energy curves, determining parameter values in semiempirical methods, and finding external potentials for which the pertinent Schrödinger equation is exactly solvable, are discussed in detail.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Croft, J. F. E.; Makrides, C.; Li, M.

A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures lower than a few tens of nanokelvin. Here we consider the benchmark ultracold reaction between, the most-celebrated ultracold molecule, KRb and K. We map out an accurate ab initio ground-state potential energy surface of the K 2Rb complex in full dimensionality and report numerically-exact quantum-mechanical reaction dynamics. The distribution of rotationally resolved rates is shown to be Poissonian. An analysismore » of the hyperspherical adiabatic potential curves explains this statistical character revealing a chaotic distribution for the short-range collision complex that plays a key role in governing the reaction outcome.« less

Dynamic symmetries and quantum nonadiabatic transitions

DOE PAGES

Li, Fuxiang; Sinitsyn, Nikolai A.

2016-05-30

Kramers degeneracy theorem is one of the basic results in quantum mechanics. According to it, the time-reversal symmetry makes each energy level of a half-integer spin system at least doubly degenerate, meaning the absence of transitions or scatterings between degenerate states if the Hamiltonian does not depend on time explicitly. Here we generalize this result to the case of explicitly time-dependent spin Hamiltonians. We prove that for a spin system with the total spin being a half integer, if its Hamiltonian and the evolution time interval are symmetric under a specifically defined time reversal operation, the scattering amplitude between anmore » arbitrary initial state and its time reversed counterpart is exactly zero. Lastly, we also discuss applications of this result to the multistate Landau–Zener (LZ) theory.« less

Lower bounds of concurrence for N-qubit systems and the detection of k-nonseparability of multipartite quantum systems

NASA Astrophysics Data System (ADS)

Qi, Xianfei; Gao, Ting; Yan, Fengli

2017-01-01

Concurrence, as one of the entanglement measures, is a useful tool to characterize quantum entanglement in various quantum systems. However, the computation of the concurrence involves difficult optimizations and only for the case of two qubits, an exact formula was found. We investigate the concurrence of four-qubit quantum states and derive analytical lower bound of concurrence using the multiqubit monogamy inequality. It is shown that this lower bound is able to improve the existing bounds. This approach can be generalized to arbitrary qubit systems. We present an exact formula of concurrence for some mixed quantum states. For even-qubit states, we derive an improved lower bound of concurrence using a monogamy equality for qubit systems. At the same time, we show that a multipartite state is k-nonseparable if the multipartite concurrence is larger than a constant related to the value of k, the qudit number and the dimension of the subsystems. Our results can be applied to detect the multipartite k-nonseparable states.

Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

PubMed

Röhr, Merle I S; Petersen, Jens; Wohlgemuth, Matthias; Bonačić-Koutecký, Vlasta; Mitrić, Roland

2013-05-10

We wish to present the application of our field-induced surface-hopping (FISH) method to simulate nonlinear absorption dynamics induced by strong nonresonant laser fields. We provide a systematic comparison of the FISH approach with exact quantum dynamics simulations on a multistate model system and demonstrate that FISH allows for accurate simulations of nonlinear excitation processes including multiphoton electronic transitions. In particular, two different approaches for simulating two-photon transitions are compared. The first approach is essentially exact and involves the solution of the time-dependent Schrödinger equation in an extended manifold of excited states, while in the second one only transiently populated nonessential states are replaced by an effective quadratic coupling term, and dynamics is performed in a considerably smaller manifold of states. We illustrate the applicability of our method to complex molecular systems by simulating the linear and nonlinear laser-driven dynamics in zinc (Zn) porphyrin in the gas phase and in water. For this purpose, the FISH approach is connected with the quantum mechanical-molecular mechanical approach (QM/MM) which is generally applicable to large classes of complex systems. Our findings that multiphoton absorption and dynamics increase the population of higher excited states of Zn porphyrin in the nonlinear regime, in particular in solution, provides a means for manipulating excited-state properties, such as transient absorption dynamics and electronic relaxation. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computation of the asymptotic states of modulated open quantum systems with a numerically exact realization of the quantum trajectory method

NASA Astrophysics Data System (ADS)

Volokitin, V.; Liniov, A.; Meyerov, I.; Hartmann, M.; Ivanchenko, M.; Hänggi, P.; Denisov, S.

2017-11-01

Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work, we consider time-periodically modulated quantum systems that are in contact with a stationary environment. Within the framework of a quantum master equation, the asymptotic states of such systems are described by time-periodic density operators. Resolution of these operators constitutes a nontrivial computational task. Approaches based on spectral and iterative methods are restricted to systems with the dimension of the hosting Hilbert space dim H =N ≲300 , while the direct long-time numerical integration of the master equation becomes increasingly problematic for N ≳400 , especially when the coupling to the environment is weak. To go beyond this limit, we use the quantum trajectory method, which unravels the master equation for the density operator into a set of stochastic processes for wave functions. The asymptotic density matrix is calculated by performing a statistical sampling over the ensemble of quantum trajectories, preceded by a long transient propagation. We follow the ideology of event-driven programming and construct a new algorithmic realization of the method. The algorithm is computationally efficient, allowing for long "leaps" forward in time. It is also numerically exact, in the sense that, being given the list of uniformly distributed (on the unit interval) random numbers, {η1,η2,...,ηn} , one could propagate a quantum trajectory (with ηi's as norm thresholds) in a numerically exact way. By using a scalable N -particle quantum model, we demonstrate that the algorithm allows us to resolve the asymptotic density operator of the model system with N =2000 states on a regular-size computer cluster, thus reaching the scale on which numerical studies of modulated Hamiltonian systems are currently performed.

Computation of the asymptotic states of modulated open quantum systems with a numerically exact realization of the quantum trajectory method.

PubMed

Volokitin, V; Liniov, A; Meyerov, I; Hartmann, M; Ivanchenko, M; Hänggi, P; Denisov, S

2017-11-01

Quantum systems out of equilibrium are presently a subject of active research, both in theoretical and experimental domains. In this work, we consider time-periodically modulated quantum systems that are in contact with a stationary environment. Within the framework of a quantum master equation, the asymptotic states of such systems are described by time-periodic density operators. Resolution of these operators constitutes a nontrivial computational task. Approaches based on spectral and iterative methods are restricted to systems with the dimension of the hosting Hilbert space dimH=N≲300, while the direct long-time numerical integration of the master equation becomes increasingly problematic for N≳400, especially when the coupling to the environment is weak. To go beyond this limit, we use the quantum trajectory method, which unravels the master equation for the density operator into a set of stochastic processes for wave functions. The asymptotic density matrix is calculated by performing a statistical sampling over the ensemble of quantum trajectories, preceded by a long transient propagation. We follow the ideology of event-driven programming and construct a new algorithmic realization of the method. The algorithm is computationally efficient, allowing for long "leaps" forward in time. It is also numerically exact, in the sense that, being given the list of uniformly distributed (on the unit interval) random numbers, {η_{1},η_{2},...,η_{n}}, one could propagate a quantum trajectory (with η_{i}'s as norm thresholds) in a numerically exact way. By using a scalable N-particle quantum model, we demonstrate that the algorithm allows us to resolve the asymptotic density operator of the model system with N=2000 states on a regular-size computer cluster, thus reaching the scale on which numerical studies of modulated Hamiltonian systems are currently performed.

Magnetic-flux-driven topological quantum phase transition and manipulation of perfect edge states in graphene tube.

PubMed

Lin, S; Zhang, G; Li, C; Song, Z

2016-08-24

We study the tight-binding model for a graphene tube with perimeter N threaded by a magnetic field. We show exactly that this model has different nontrivial topological phases as the flux changes. The winding number, as an indicator of topological quantum phase transition (QPT) fixes at N/3 if N/3 equals to its integer part [N/3], otherwise it jumps between [N/3] and [N/3] + 1 periodically as the flux varies a flux quantum. For an open tube with zigzag boundary condition, exact edge states are obtained. There exist two perfect midgap edge states, in which the particle is completely located at the boundary, even for a tube with finite length. The threading flux can be employed to control the quantum states: transferring the perfect edge state from one end to the other, or generating maximal entanglement between them.

Phase diagram and re-entrant fermionic entanglement in a hybrid Ising-Hubbard ladder

NASA Astrophysics Data System (ADS)

Sousa, H. S.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

2018-05-01

The degree of fermionic entanglement is examined in an exactly solvable Ising-Hubbard ladder, which involves interacting electrons on the ladder's rungs described by Hubbard dimers at half-filling on each rung, accounting for intrarung hopping and Coulomb terms. The coupling between neighboring Hubbard dimers is assumed to have an Ising-like nature. The ground-state phase diagram consists of four distinct regions corresponding to the saturated paramagnetic, the classical antiferromagnetic, the quantum antiferromagnetic, and the mixed classical-quantum phase. We have exactly computed the fermionic concurrence, which measures the degree of quantum entanglement between the pair of electrons on the ladder rungs. The effects of the hopping amplitude, the Coulomb term, temperature, and magnetic fields on the fermionic entanglement are explored in detail. It is shown that the fermionic concurrence displays a re-entrant behavior when quantum entanglement is being generated at moderate temperatures above the classical saturated paramagnetic ground state.

A class of exact classical solutions to string theory.

PubMed

Coley, A A

2002-12-31

We show that the recently obtained class of spacetimes for which all of the scalar curvature invariants vanish (which can be regarded as generalizations of pp-wave spacetimes) are exact solutions in string theory to all perturbative orders in the string tension scale. As a result the spectrum of the theory can be explicitly obtained, and these spacetimes are expected to provide some hints for the study of superstrings on more general backgrounds. Since these Lorentzian spacetimes suffer no quantum corrections to all loop orders they may also offer insights into quantum gravity.

A programmable quantum current standard from the Josephson and the quantum Hall effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Poirier, W., E-mail: wilfrid.poirier@lne.fr; Lafont, F.; Djordjevic, S.

We propose a way to realize a programmable quantum current standard (PQCS) from the Josephson voltage standard and the quantum Hall resistance standard (QHR) exploiting the multiple connection technique provided by the quantum Hall effect (QHE) and the exactness of the cryogenic current comparator. The PQCS could lead to breakthroughs in electrical metrology like the realization of a programmable quantum current source, a quantum ampere-meter, and a simplified closure of the quantum metrological triangle. Moreover, very accurate universality tests of the QHE could be performed by comparing PQCS based on different QHRs.

Quantum mechanical treatment of the F+H2 --> HF+H reaction

NASA Astrophysics Data System (ADS)

Baer, Michael; Jellinek, Julius; Kouri, D. J.

1983-03-01

In this paper is presented a quantum dynamical study of the F+H2 reaction within the infinite order sudden approximation for the energy range Etot=0.28-0.50 eV. Results at various stages of the calculation are given ranging from the most detailed phases and S matrices to the total integral cross sections. The accuracy of the IOS is assessed by comparisons of the average l-labeled quantal IOS results with exact classical, initial-l labeled classical IOS, and l-initial labeled quantum IOS results. Comparison with experiment indicates that the qualitative state-to-state angular distributions are reproduced within this method. On the other hand, vibrational branching ratios for the product HF molecule are only partially reproduced. The main part of the discussion in the paper is devoted to the recent hypothesis concerning the existence of a superposition of resonances which strongly influence the angular distributions as a function of final vibrational state of the HF product.

A unified stochastic formulation of dissipative quantum dynamics. I. Generalized hierarchical equations

NASA Astrophysics Data System (ADS)

Hsieh, Chang-Yu; Cao, Jianshu

2018-01-01

We extend a standard stochastic theory to study open quantum systems coupled to a generic quantum environment. We exemplify the general framework by studying a two-level quantum system coupled bilinearly to the three fundamental classes of non-interacting particles: bosons, fermions, and spins. In this unified stochastic approach, the generalized stochastic Liouville equation (SLE) formally captures the exact quantum dissipations when noise variables with appropriate statistics for different bath models are applied. Anharmonic effects of a non-Gaussian bath are precisely encoded in the bath multi-time correlation functions that noise variables have to satisfy. Starting from the SLE, we devise a family of generalized hierarchical equations by averaging out the noise variables and expand bath multi-time correlation functions in a complete basis of orthonormal functions. The general hierarchical equations constitute systems of linear equations that provide numerically exact simulations of quantum dynamics. For bosonic bath models, our general hierarchical equation of motion reduces exactly to an extended version of hierarchical equation of motion which allows efficient simulation for arbitrary spectral densities and temperature regimes. Similar efficiency and flexibility can be achieved for the fermionic bath models within our formalism. The spin bath models can be simulated with two complementary approaches in the present formalism. (I) They can be viewed as an example of non-Gaussian bath models and be directly handled with the general hierarchical equation approach given their multi-time correlation functions. (II) Alternatively, each bath spin can be first mapped onto a pair of fermions and be treated as fermionic environments within the present formalism.

Possible role of interference, protein noise, and sink effects in nonphotochemical quenching in photosynthetic complexes.

PubMed

Berman, Gennady P; Nesterov, Alexander I; Gurvitz, Shmuel; Sayre, Richard T

2017-01-01

We analyze theoretically a simple and consistent quantum mechanical model that reveals the possible role of quantum interference, protein noise, and sink effects in the nonphotochemical quenching (NPQ) in light-harvesting complexes (LHCs). The model consists of a network of five interconnected sites (excitonic states of light-sensitive molecules) responsible for the NPQ mechanism. The model also includes the "damaging" and the dissipative channels. The damaging channel is responsible for production of singlet oxygen and other destructive outcomes. In our model, both damaging and "dissipative" charge transfer channels are described by discrete electron energy levels attached to their sinks, that mimic the continuum part of electron energy spectrum. All five excitonic sites interact with the protein environment that is modeled using a stochastic process. Our approach allowed us to derive the exact and closed system of linear ordinary differential equations for the reduced density matrix and its first momentums. These equations are solved numerically including for strong interactions between the light-sensitive molecules and protein environment. As an example, we apply our model to demonstrate possible contributions of quantum interference, protein noise, and sink effects in the NPQ mechanism in the CP29 minor LHC. The numerical simulations show that using proper combination of quantum interference effects, properties of noise, and sinks, one can significantly suppress the damaging channel. Our findings demonstrate the possible role of interference, protein noise, and sink effects for modeling, engineering, and optimizing the performance of the NPQ processes in both natural and artificial light-harvesting complexes.

Possible role of interference, protein noise, and sink effects in nonphotochemical quenching in photosynthetic complexes

DOE PAGES

Berman, Gennady P.; Nesterov, Alexander I.; Gurvitz, Shmuel; ...

2016-04-30

Here, we analyze theoretically a simple and consistent quantum mechanical model that reveals the possible role of quantum interference, protein noise, and sink effects in the nonphotochemical quenching (NPQ) in light-harvesting complexes (LHCs). The model consists of a network of five interconnected sites (excitonic states of light-sensitive molecules) responsible for the NPQ mechanism. The model also includes the “damaging” and the dissipative channels. The damaging channel is responsible for production of singlet oxygen and other destructive outcomes. In this model, both damaging and “dissipative” charge transfer channels are described by discrete electron energy levels attached to their sinks, that mimicmore » the continuum part of electron energy spectrum. All five excitonic sites interact with the protein environment that is modeled using a stochastic process. Our approach allowed us to derive the exact and closed system of linear ordinary differential equations for the reduced density matrix and its first momentums. Moreover, these equations are solved numerically including for strong interactions between the light-sensitive molecules and protein environment. As an example, we apply our model to demonstrate possible contributions of quantum interference, protein noise, and sink effects in the NPQ mechanism in the CP29 minor LHC. The numerical simulations show that using proper combination of quantum interference effects, properties of noise, and sinks, one can significantly suppress the damaging channel. Finally, our findings demonstrate the possible role of interference, protein noise, and sink effects for modeling, engineering, and optimizing the performance of the NPQ processes in both natural and artificial light-harvesting complexes.« less

Geometrical Phases in Quantum Mechanics

NASA Astrophysics Data System (ADS)

Christian, Joy Julius

In quantum mechanics, the path-dependent geometrical phase associated with a physical system, over and above the familiar dynamical phase, was initially discovered in the context of adiabatically changing environments. Subsequently, Aharonov and Anandan liberated this phase from the original formulation of Berry, which used Hamiltonians, dependent on curves in a classical parameter space, to represent the cyclic variations of the environments. Their purely quantum mechanical treatment, independent of Hamiltonians, instead used the non-trivial topological structure of the projective space of one-dimensional subspaces of an appropriate Hilbert space. The geometrical phase, in their treatment, results from a parallel transport of the time-dependent pure quantum states along a curve in this space, which is endowed with an abelian connection. Unlike Berry, they were able to achieve this without resort to an adiabatic approximation or to a time-independent eigenvalue equation. Prima facie, these two approaches are conceptually quite different. After a review of both approaches, an exposition bridging this apparent conceptual gap is given; by rigorously analyzing a model composite system, it is shown that, in an appropriate correspondence limit, the Berry phase can be recovered as a special case from the Aharonov-Anandan phase. Moreover, the model composite system is used to show that Berry's correction to the traditional Born-Oppenheimer energy spectra indeed brings the spectra closer to the exact results. Then, an experimental arrangement to measure geometrical phases associated with cyclic and non-cyclic variations of quantum states of an entangled composite system is proposed, utilizing the fundamental ideas of the recently opened field of two-particle interferometry. This arrangement not only resolves the controversy regarding the true nature of the phases associated with photon states, but also unequivocally predicts experimentally accessible geometrical phases in a truly quantum regime, and allows, for the first time, the measurements of such phases associated with arbitrary non-cyclic evolutions of entangled linear-momentum photon -states. This non-classical manifestation of the geometrical phases is due to the entangled character of linear-momentum photon-states of two correlated photons produced by parametric down-conversion in non-linear crystals. Finally, the non-local aspect of the geometrical phase is contrasted with the fundamental non-locality of quantum mechanics due to the entangled character of quantum states.

Multifrequency sources of quantum correlated photon pairs on-chip: a path toward integrated Quantum Frequency Combs

NASA Astrophysics Data System (ADS)

Caspani, Lucia; Reimer, Christian; Kues, Michael; Roztocki, Piotr; Clerici, Matteo; Wetzel, Benjamin; Jestin, Yoann; Ferrera, Marcello; Peccianti, Marco; Pasquazi, Alessia; Razzari, Luca; Little, Brent E.; Chu, Sai T.; Moss, David J.; Morandotti, Roberto

2016-06-01

Recent developments in quantum photonics have initiated the process of bringing photonic-quantumbased systems out-of-the-lab and into real-world applications. As an example, devices to enable the exchange of a cryptographic key secured by the laws of quantum mechanics are already commercially available. In order to further boost this process, the next step is to transfer the results achieved by means of bulky and expensive setups into miniaturized and affordable devices. Integrated quantum photonics is exactly addressing this issue. In this paper, we briefly review the most recent advancements in the generation of quantum states of light on-chip. In particular, we focus on optical microcavities, as they can offer a solution to the problem of low efficiency that is characteristic of the materials typically used in integrated platforms. In addition, we show that specifically designed microcavities can also offer further advantages, such as compatibility with telecom standards (for exploiting existing fibre networks) and quantum memories (necessary to extend the communication distance), as well as giving a longitudinal multimode character for larger information transfer and processing. This last property (i.e., the increased dimensionality of the photon quantum state) is achieved through the ability to generate multiple photon pairs on a frequency comb, corresponding to the microcavity resonances. Further achievements include the possibility of fully exploiting the polarization degree of freedom, even for integrated devices. These results pave the way for the generation of integrated quantum frequency combs that, in turn, may find important applications toward the realization of a compact quantum-computing platform.

A tunable few electron triple quantum dot

NASA Astrophysics Data System (ADS)

Gaudreau, L.; Kam, A.; Granger, G.; Studenikin, S. A.; Zawadzki, P.; Sachrajda, A. S.

2009-11-01

In this paper, we report on a tunable few electron lateral triple quantum dot design. The quantum dot potentials are arranged in series. The device is aimed at studies of triple quantum dot properties where knowing the exact number of electrons is important as well as quantum information applications involving electron spin qubits. We demonstrate tuning strategies for achieving required resonant conditions such as quadruple points where all three quantum dots are on resonance. We find that in such a device resonant conditions at specific configurations are accompanied by complex charge transfer behavior.

Markovian master equations for quantum thermal machines: local versus global approach

NASA Astrophysics Data System (ADS)

Hofer, Patrick P.; Perarnau-Llobet, Martí; Miranda, L. David M.; Haack, Géraldine; Silva, Ralph; Bohr Brask, Jonatan; Brunner, Nicolas

2017-12-01

The study of quantum thermal machines, and more generally of open quantum systems, often relies on master equations. Two approaches are mainly followed. On the one hand, there is the widely used, but often criticized, local approach, where machine sub-systems locally couple to thermal baths. On the other hand, in the more established global approach, thermal baths couple to global degrees of freedom of the machine. There has been debate as to which of these two conceptually different approaches should be used in situations out of thermal equilibrium. Here we compare the local and global approaches against an exact solution for a particular class of thermal machines. We consider thermodynamically relevant observables, such as heat currents, as well as the quantum state of the machine. Our results show that the use of a local master equation is generally well justified. In particular, for weak inter-system coupling, the local approach agrees with the exact solution, whereas the global approach fails for non-equilibrium situations. For intermediate coupling, the local and the global approach both agree with the exact solution and for strong coupling, the global approach is preferable. These results are backed by detailed derivations of the regimes of validity for the respective approaches.

Length-Two Representations of Quantum Affine Superalgebras and Baxter Operators

NASA Astrophysics Data System (ADS)

Zhang, Huafeng

2018-03-01

Associated to quantum affine general linear Lie superalgebras are two families of short exact sequences of representations whose first and third terms are irreducible: the Baxter TQ relations involving infinite-dimensional representations; the extended T-systems of Kirillov-Reshetikhin modules. We make use of these representations over the full quantum affine superalgebra to define Baxter operators as transfer matrices for the quantum integrable model and to deduce Bethe Ansatz Equations, under genericity conditions.

Quantum Statistics of the Toda Oscillator in the Wigner Function Formalism

NASA Astrophysics Data System (ADS)

Vojta, Günter; Vojta, Matthias

Classical and quantum mechanical Toda systems (Toda molecules, Toda lattices, Toda quantum fields) recently found growing interest as nonlinear systems showing solitons and chaos. In this paper the statistical thermodynamics of a system of quantum mechanical Toda oscillators characterized by a potential energy V(q) = Vo cos h q is treated within the Wigner function formalism (phase space formalism of quantum statistics). The partition function is given as a Wigner- Kirkwood series expansion in terms of powers of h2 (semiclassical expansion). The partition function and all thermodynamic functions are written, with considerable exactness, as simple closed expressions containing only the modified Hankel functions Ko and K1 of the purely imaginary argument i with = Vo/kT.Translated AbstractQuantenstatistik des Toda-Oszillators im Formalismus der Wigner-FunktionKlassische und quantenmechanische Toda-Systeme (Toda-Moleküle, Toda-Gitter, Toda-Quantenfelder) haben als nichtlineare Systeme mit Solitonen und Chaos in jüngster Zeit zunehmend an Interesse gewonnen. Wir untersuchen die statistische Thermodynamik eines Systems quantenmechanischer Toda-Oszillatoren, die durch eine potentielle Energie der Form V(q) = Vo cos h q charakterisiert sind, im Formalismus der Wigner-Funktion (Phasenraum-Formalismus der Quantenstatistik). Die Zustandssumme wird als Wigner-Kirkwood-Reihe nach Potenzen von h2 (semiklassische Entwicklung) dargestellt, und aus ihr werden die thermodynamischen Funktionen berechnet. Sämtliche Funktionen sind durch einfache geschlossene Formeln allein mit den modifizierten Hankel-Funktionen Ko und K1 des rein imaginären Arguments i mit = Vo/kT mit großer Genauigkeit darzustellen.

Efficient Calculation of Exact Exchange Within the Quantum Espresso Software Package

NASA Astrophysics Data System (ADS)

Barnes, Taylor; Kurth, Thorsten; Carrier, Pierre; Wichmann, Nathan; Prendergast, David; Kent, Paul; Deslippe, Jack

Accurate simulation of condensed matter at the nanoscale requires careful treatment of the exchange interaction between electrons. In the context of plane-wave DFT, these interactions are typically represented through the use of approximate functionals. Greater accuracy can often be obtained through the use of functionals that incorporate some fraction of exact exchange; however, evaluation of the exact exchange potential is often prohibitively expensive. We present an improved algorithm for the parallel computation of exact exchange in Quantum Espresso, an open-source software package for plane-wave DFT simulation. Through the use of aggressive load balancing and on-the-fly transformation of internal data structures, our code exhibits speedups of approximately an order of magnitude for practical calculations. Additional optimizations are presented targeting the many-core Intel Xeon-Phi ``Knights Landing'' architecture, which largely powers NERSC's new Cori system. We demonstrate the successful application of the code to difficult problems, including simulation of water at a platinum interface and computation of the X-ray absorption spectra of transition metal oxides.

Quantum corrections of the truncated Wigner approximation applied to an exciton transport model.

PubMed

Ivanov, Anton; Breuer, Heinz-Peter

2017-04-01

We modify the path integral representation of exciton transport in open quantum systems such that an exact description of the quantum fluctuations around the classical evolution of the system is possible. As a consequence, the time evolution of the system observables is obtained by calculating the average of a stochastic difference equation which is weighted with a product of pseudoprobability density functions. From the exact equation of motion one can clearly identify the terms that are also present if we apply the truncated Wigner approximation. This description of the problem is used as a basis for the derivation of a new approximation, whose validity goes beyond the truncated Wigner approximation. To demonstrate this we apply the formalism to a donor-acceptor transport model.

Aging and coarsening in isolated quantum systems after a quench: Exact results for the quantum O(N) model with N → ∞.

PubMed

Maraga, Anna; Chiocchetta, Alessio; Mitra, Aditi; Gambassi, Andrea

2015-10-01

The nonequilibrium dynamics of an isolated quantum system after a sudden quench to a dynamical critical point is expected to be characterized by scaling and universal exponents due to the absence of time scales. We explore these features for a quench of the parameters of a Hamiltonian with O(N) symmetry, starting from a ground state in the disordered phase. In the limit of infinite N, the exponents and scaling forms of the relevant two-time correlation functions can be calculated exactly. Our analytical predictions are confirmed by the numerical solution of the corresponding equations. Moreover, we find that the same scaling functions, yet with different exponents, also describe the coarsening dynamics for quenches below the dynamical critical point.

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

NASA Technical Reports Server (NTRS)

Jiang, Zhang; Smelyanskiy, Vadim N.; Boixo, Sergio; Isakov, Sergei V.; Neven, Hartmut; Mazzola, Guglielmo; Troyer, Matthias

2015-01-01

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

Nonequilibrium Green's functions and atom-surface dynamics: Simple views from a simple model system

NASA Astrophysics Data System (ADS)

Boström, E.; Hopjan, M.; Kartsev, A.; Verdozzi, C.; Almbladh, C.-O.

2016-03-01

We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and within different levels of approximation. Specifically i) the full exact quantum mechanical solution for electron and nuclear degrees of freedom is used to benchmark ii) the Ehrenfest approximation (EA) for the nuclei, with the electron dynamics still treated exactly. Then, using the EA, electronic correlations are treated with NEGF within iii) 2nd Born and with iv) a recently introduced hybrid scheme, which mixes 2nd Born self-energies with non-perturbative, local exchange- correlation potentials of Density Functional Theory (DFT). Finally, the effect of a semi-infinite substrate is considered: we observe that a macroscopic number of de-excitation channels can hinder desorption. While very preliminary in character and based on a simple and rather specific model system, our results clearly illustrate the large potential of NEGF to investigate atomic desorption, and more generally, the non equilibrium dynamics of material surfaces subject to ultrafast laser fields.

Nonrelativistic factorizable scattering theory and the Calogero-Sutherland model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, C.; Lee, K.; Nam, S.

1996-12-01

We solve the SU({ital N})-invariant Yang-Baxter equations imposing only the unitarity condition. The usual {ital S} matrices should satisfy the crossing symmetry which originates from the {ital CPT} invariance of relativistic quantum-field theory. In this paper, we consider nonrelativistic SU({ital N})-invariant factorizable {ital S} matrices by relaxing the crossing symmetry and making the amplitudes for creating and annihilating new particles vanish and find that these {ital S} matrices are exactly the same as those of the multicomponent Calogero-Sutherland model, the quantum-mechanical model with the hyperbolic potential between particles and antiparticles. This particular solution is of interest since it cannot bemore » obtained as a nonrelativistic limit of any known relativistic solutions of the SU({ital N})-invariant Yang-Baxter equations. {copyright} {ital 1996 The American Physical Society.}« less

An automated integration-free path-integral method based on Kleinert's variational perturbation theory

NASA Astrophysics Data System (ADS)

Wong, Kin-Yiu; Gao, Jiali

2007-12-01

Based on Kleinert's variational perturbation (KP) theory [Path Integrals in Quantum Mechanics, Statistics, Polymer Physics, and Financial Markets, 3rd ed. (World Scientific, Singapore, 2004)], we present an analytic path-integral approach for computing the effective centroid potential. The approach enables the KP theory to be applied to any realistic systems beyond the first-order perturbation (i.e., the original Feynman-Kleinert [Phys. Rev. A 34, 5080 (1986)] variational method). Accurate values are obtained for several systems in which exact quantum results are known. Furthermore, the computed kinetic isotope effects for a series of proton transfer reactions, in which the potential energy surfaces are evaluated by density-functional theory, are in good accordance with experiments. We hope that our method could be used by non-path-integral experts or experimentalists as a "black box" for any given system.

There aren't Non-Standard Solutions for the Braid Group Representations of the QYBE Associated with 10-D Representations of SU(4)

NASA Technical Reports Server (NTRS)

Yijun, Huang; Guochen, Yu; Hong, Sun

1996-01-01

It is well known that the quantum Yang-Baxter equations (QYBE) play an important role in various theoretical and mathematical physics, such as completely integrable system in (1 + 1)-dimensions, exactly solvable models in statistical mechanics, the quantum inverse scattering method and the conformal field theories in 2-dimensions. Recently, much remarkable progress has been made in constructing the solutions of the QYBE associated with the representations of lie algebras. It is shown that for some cases except the standard solutions, there also exist new solutions, but the others have not non-standard solutions. In this paper by employing the weight conservation and the diagrammatic techniques we show that the solution associated with the 10-D representations of SU (4) are standard alone.

Universality and chaoticity in ultracold K+KRb chemical reactions

DOE PAGES

Croft, J. F. E.; Makrides, C.; Li, M.; ...

2017-07-19

A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures lower than a few tens of nanokelvin. Here we consider the benchmark ultracold reaction between, the most-celebrated ultracold molecule, KRb and K. We map out an accurate ab initio ground-state potential energy surface of the K 2Rb complex in full dimensionality and report numerically-exact quantum-mechanical reaction dynamics. The distribution of rotationally resolved rates is shown to be Poissonian. An analysismore » of the hyperspherical adiabatic potential curves explains this statistical character revealing a chaotic distribution for the short-range collision complex that plays a key role in governing the reaction outcome.« less

Polynomial solution of quantum Grassmann matrices

NASA Astrophysics Data System (ADS)

Tierz, Miguel

2017-05-01

We study a model of quantum mechanical fermions with matrix-like index structure (with indices N and L) and quartic interactions, recently introduced by Anninos and Silva. We compute the partition function exactly with q-deformed orthogonal polynomials (Stieltjes-Wigert polynomials), for different values of L and arbitrary N. From the explicit evaluation of the thermal partition function, the energy levels and degeneracies are determined. For a given L, the number of states of different energy is quadratic in N, which implies an exponential degeneracy of the energy levels. We also show that at high-temperature we have a Gaussian matrix model, which implies a symmetry that swaps N and L, together with a Wick rotation of the spectral parameter. In this limit, we also write the partition function, for generic L and N, in terms of a single generalized Hermite polynomial.

Quantum propagation across cosmological singularities

NASA Astrophysics Data System (ADS)

Gielen, Steffen; Turok, Neil

2017-05-01

The initial singularity is the most troubling feature of the standard cosmology, which quantum effects are hoped to resolve. In this paper, we study quantum cosmology with conformal (Weyl) invariant matter. We show that it is natural to extend the scale factor to negative values, allowing a large, collapsing universe to evolve across a quantum "bounce" into an expanding universe like ours. We compute the Feynman propagator for Friedmann-Robertson-Walker backgrounds exactly, identifying curious pathologies in the case of curved (open or closed) universes. We then include anisotropies, fixing the operator ordering of the quantum Hamiltonian by imposing covariance under field redefinitions and again finding exact solutions. We show how complex classical solutions allow one to circumvent the singularity while maintaining the validity of the semiclassical approximation. The simplest isotropic universes sit on a critical boundary, beyond which there is qualitatively different behavior, with potential for instability. Additional scalars improve the theory's stability. Finally, we study the semiclassical propagation of inhomogeneous perturbations about the flat, isotropic case, at linear and nonlinear order, showing that, at least at this level, there is no particle production across the bounce. These results form the basis for a promising new approach to quantum cosmology and the resolution of the big bang singularity.

Driven topological systems in the classical limit

NASA Astrophysics Data System (ADS)

Duncan, Callum W.; Öhberg, Patrik; Valiente, Manuel

2017-03-01

Periodically driven quantum systems can exhibit topologically nontrivial behavior, even when their quasienergy bands have zero Chern numbers. Much work has been conducted on noninteracting quantum-mechanical models where this kind of behavior is present. However, the inclusion of interactions in out-of-equilibrium quantum systems can prove to be quite challenging. On the other hand, the classical counterpart of hard-core interactions can be simulated efficiently via constrained random walks. The noninteracting model, proposed by Rudner et al. [Phys. Rev. X 3, 031005 (2013), 10.1103/PhysRevX.3.031005], has a special point for which the system is equivalent to a classical random walk. We consider the classical counterpart of this model, which is exact at a special point even when hard-core interactions are present, and show how these quantitatively affect the edge currents in a strip geometry. We find that the interacting classical system is well described by a mean-field theory. Using this we simulate the dynamics of the classical system, which show that the interactions play the role of Markovian, or time-dependent disorder. By comparing the evolution of classical and quantum edge currents in small lattices, we find regimes where the classical limit considered gives good insight into the quantum problem.

New class of photonic quantum error correction codes

NASA Astrophysics Data System (ADS)

Silveri, Matti; Michael, Marios; Brierley, R. T.; Salmilehto, Juha; Albert, Victor V.; Jiang, Liang; Girvin, S. M.

We present a new class of quantum error correction codes for applications in quantum memories, communication and scalable computation. These codes are constructed from a finite superposition of Fock states and can exactly correct errors that are polynomial up to a specified degree in creation and destruction operators. Equivalently, they can perform approximate quantum error correction to any given order in time step for the continuous-time dissipative evolution under these errors. The codes are related to two-mode photonic codes but offer the advantage of requiring only a single photon mode to correct loss (amplitude damping), as well as the ability to correct other errors, e.g. dephasing. Our codes are also similar in spirit to photonic ''cat codes'' but have several advantages including smaller mean occupation number and exact rather than approximate orthogonality of the code words. We analyze how the rate of uncorrectable errors scales with the code complexity and discuss the unitary control for the recovery process. These codes are realizable with current superconducting qubit technology and can increase the fidelity of photonic quantum communication and memories.

Ehrenfest dynamics is purity non-preserving: A necessary ingredient for decoherence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alonso, J. L.; Instituto de Biocomputacion y Fisica de Sistemas Complejos; Unidad Asociada IQFR-BIFI, Universidad de Zaragoza, Mariano Esquillor s/n, E-50018 Zaragoza

2012-08-07

We discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. As it is impossible to exactly determine initial conditions for a realistic system, we choose to work in the statistical Ehrenfest formalism that we introduced in Alonso et al. [J. Phys. A: Math. Theor. 44, 396004 (2011)]. From it, we develop a new framework to determine exactly the change in the purity of the quantum subsystem along with the evolution of a statistical Ehrenfest system. In a simple case, we verify how and to which extent Ehrenfest statistical dynamicsmore » makes a system with more than one classical trajectory, and an initial quantum pure state become a quantum mixed one. We prove this numerically showing how the evolution of purity depends on time, on the dimension of the quantum state space D, and on the number of classical trajectories N of the initial distribution. The results in this work open new perspectives for studying decoherence with Ehrenfest dynamics.« less

Polynomial-time quantum algorithm for the simulation of chemical dynamics

PubMed Central

Kassal, Ivan; Jordan, Stephen P.; Love, Peter J.; Mohseni, Masoud; Aspuru-Guzik, Alán

2008-01-01

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can be applied only to small systems. By contrast, we demonstrate that quantum computers could exactly simulate chemical reactions in polynomial time. Our algorithm uses the split-operator approach and explicitly simulates all electron-nuclear and interelectronic interactions in quadratic time. Surprisingly, this treatment is not only more accurate than the Born–Oppenheimer approximation but faster and more efficient as well, for all reactions with more than about four atoms. This is the case even though the entire electronic wave function is propagated on a grid with appropriately short time steps. Although the preparation and measurement of arbitrary states on a quantum computer is inefficient, here we demonstrate how to prepare states of chemical interest efficiently. We also show how to efficiently obtain chemically relevant observables, such as state-to-state transition probabilities and thermal reaction rates. Quantum computers using these techniques could outperform current classical computers with 100 qubits. PMID:19033207

Bound state and localization of excitation in many-body open systems

NASA Astrophysics Data System (ADS)

Cui, H. T.; Shen, H. Z.; Hou, S. C.; Yi, X. X.

2018-04-01

We study the exact bound state and time evolution for single excitations in one-dimensional X X Z spin chains within a non-Markovian reservoir. For the bound state, a common feature is the localization of single excitations, which means the spontaneous emission of excitations into the reservoir is prohibited. Exceptionally, the pseudo-bound state can be found, for which the single excitation has a finite probability of emission into the reservoir. In addition, a critical energy scale for bound states is also identified, below which only one bound state exists, and it is also the pseudo-bound state. The effect of quasirandom disorder in the spin chain is also discussed; such disorder induces the single excitation to locate at some spin sites. Furthermore, to display the effect of bound state and disorder on the preservation of quantum information, the time evolution of single excitations in spin chains is studied exactly. An interesting observation is that the excitation can stay at its initial location with high probability only when the bound state and disorder coexist. In contrast, when either one of them is absent, the information of the initial state can be erased completely or becomes mixed. This finding shows that the combination of bound state and disorder can provide an ideal mechanism for quantum memory.

Riding on irrelevant operators

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Rham, Claudia; Ribeiro, Raquel H., E-mail: Claudia.deRham@case.edu, E-mail: RaquelHRibeiro@case.edu

2014-11-01

We investigate the stability of a class of derivative theories known as P(X) and Galileons against corrections generated by quantum effects. We use an exact renormalisation group approach to argue that these theories are stable under quantum corrections at all loops in regions where the kinetic term is large compared to the strong coupling scale. This is the regime of interest for screening or Vainshtein mechanisms, and in inflationary models that rely on large kinetic terms. Next, we clarify the role played by the symmetries. While symmetries protect the form of the quantum corrections, theories equipped with more symmetries domore » not necessarily have a broader range of scales for which they are valid. We show this by deriving explicitly the regime of validity of the classical solutions for P(X) theories including Dirac-Born-Infeld (DBI) models, both in generic and for specific background field configurations. Indeed, we find that despite the existence of an additional symmetry, the DBI effective field theory has a regime of validity similar to an arbitrary P(X) theory. We explore the implications of our results for both early and late universe contexts. Conversely, when applied to static and spherical screening mechanisms, we deduce that the regime of validity of typical power-law P(X) theories is much larger than that of DBI.« less

Open Heisenberg chain under boundary fields: A magnonic logic gate

NASA Astrophysics Data System (ADS)

Landi, Gabriel T.; Karevski, Dragi

2015-05-01

We study the spin transport in the quantum Heisenberg spin chain subject to boundary magnetic fields and driven out of equilibrium by Lindblad dissipators. An exact solution is given in terms of matrix product states, which allows us to calculate exactly the spin current for any chain size. It is found that the system undergoes a discontinuous spin-valve-like quantum phase transition from ballistic to subdiffusive spin current, depending on the value of the boundary fields. Thus, the chain behaves as an extremely sensitive magnonic logic gate operating with the boundary fields as the base element.

Bridging Quantum, Classical and Stochastic Shortcuts to Adiabaticity

NASA Astrophysics Data System (ADS)

Patra, Ayoti

Adiabatic invariants - quantities that are preserved under the slow driving of a system's external parameters - are important in classical mechanics, quantum mechanics and thermodynamics. Adiabatic processes allow a system to be guided to evolve to a desired final state. However, the slow driving of a quantum system makes it vulnerable to environmental decoherence, and for both quantum and classical systems, it is often desirable and time-efficient to speed up a process. Shortcuts to adiabaticity are strategies for preserving adiabatic invariants under rapid driving, typically by means of an auxiliary field that suppresses excitations, otherwise generated during rapid driving. Several theoretical approaches have been developed to construct such shortcuts. In this dissertation we focus on two different approaches, namely counterdiabatic driving and fast-forward driving, which were originally developed for quantum systems. The counterdiabatic approach introduced independently by Dermirplak and Rice [J. Phys. Chem. A, 107:9937, 2003], and Berry [J. Phys. A: Math. Theor., 42:365303, 2009] formally provides an exact expression for the auxiliary Hamiltonian, which however is abstract and difficult to translate into an experimentally implementable form. By contrast, the fast-forward approach developed by Masuda and Nakamura [Proc. R. Soc. A, 466(2116):1135, 2010] provides an auxiliary potential that may be experimentally implementable but generally applies only to ground states. The central theme of this dissertation is that classical shortcuts to adiabaticity can provide useful physical insights and lead to experimentally implementable shortcuts for analogous quantum systems. We start by studying a model system of a tilted piston to provide a proof of principle that quantum shortcuts can successfully be constructed from their classical counterparts. In the remainder of the dissertation, we develop a general approach based on flow-fields which produces simple expressions for auxiliary terms required for both counterdiabatic and fast-forward driving. We demonstrate the applicability of this approach for classical, quantum as well as stochastic systems. We establish strong connections between counterdiabatic and fast-forward approaches, and also between shortcut protocols required for classical, quantum and stochastic systems. In particular, we show how the fast-forward approach can be extended to highly excited states of quantum systems.

Retroactive Event Determination and Its Relativistic Roots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Sky E.

Quantum theory limits what we are allowed to say about the 'true' state of a quantum system if that system is unobserved. But special relativity relies fundamentally on a universal assumption about what a light particle is doing at ALL times, regardless of being observed (namely, traveling at speed c relative to any inertial observer). This constitutes a fundamental conceptual gap between the theories. In resolving this impasse we show that the state of a light particle (and hence space and time) is not objective or continuous. Time dilation and length contraction become infinite for a photon, so light hasmore » no 'experience' of event separation in space or time ({Delta}t' = 0, {Delta}x' = 0). The principle of simultaneity is applied between an inertial observer and a light particle, such that the relative speed of the two systems is c, and gamma = infinite/undefined. Although light experiences no separation between events, the Lorentz transform {Delta}t' = {gamma} ({Delta}t-{Delta}Lv/c{sup 2}) implies that the inertial observer experiences a separation between those same events of exactly {Delta}t = {Delta}L/c, a light-like separation. In other words, although light does not 'register' time or space itself, light will always be measured by an inertial observer at a position and time exactly as if it had travelled at speed c continuously through the intervening medium. This fits nicely within the limitations set by quantum mechanics. This result is connected with previous work on retroactive event determination, suggesting the ubiquitous existence of ''synchronicity''.« less

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

NASA Astrophysics Data System (ADS)

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

2007-04-01

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

Kondo blockade due to quantum interference in single-molecule junctions

PubMed Central

Mitchell, Andrew K.; Pedersen, Kim G. L.; Hedegård, Per; Paaske, Jens

2017-01-01

Molecular electronics offers unique scientific and technological possibilities, resulting from both the nanometre scale of the devices and their reproducible chemical complexity. Two fundamental yet different effects, with no classical analogue, have been demonstrated experimentally in single-molecule junctions: quantum interference due to competing electron transport pathways, and the Kondo effect due to entanglement from strong electronic interactions. Here we unify these phenomena, showing that transport through a spin-degenerate molecule can be either enhanced or blocked by Kondo correlations, depending on molecular structure, contacting geometry and applied gate voltages. An exact framework is developed, in terms of which the quantum interference properties of interacting molecular junctions can be systematically studied and understood. We prove that an exact Kondo-mediated conductance node results from destructive interference in exchange-cotunneling. Nonstandard temperature dependences and gate-tunable conductance peaks/nodes are demonstrated for prototypical molecular junctions, illustrating the intricate interplay of quantum effects beyond the single-orbital paradigm. PMID:28492236

Improved treatment of exact exchange in Quantum ESPRESSO

DOE PAGES

Barnes, Taylor A.; Kurth, Thorsten; Carrier, Pierre; ...

2017-01-18

Here, we present an algorithm and implementation for the parallel computation of exact exchange in Quantum ESPRESSO (QE) that exhibits greatly improved strong scaling. QE is an open-source software package for electronic structure calculations using plane wave density functional theory, and supports the use of local, semi-local, and hybrid DFT functionals. Wider application of hybrid functionals is desirable for the improved simulation of electronic band energy alignments and thermodynamic properties, but the computational complexity of evaluating the exact exchange potential limits the practical application of hybrid functionals to large systems and requires efficient implementations. We demonstrate that existing implementations ofmore » hybrid DFT that utilize a single data structure for both the local and exact exchange regions of the code are significantly limited in the degree of parallelization achievable. We present a band-pair parallelization approach, in which the calculation of exact exchange is parallelized and evaluated independently from the parallelization of the remainder of the calculation, with the wavefunction data being efficiently transformed on-the-fly into a form that is optimal for each part of the calculation. For a 64 water molecule supercell, our new algorithm reduces the overall time to solution by nearly an order of magnitude.« less

Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model.

PubMed

Xu, Meng; Yan, Yaming; Liu, Yanying; Shi, Qiang

2018-04-28

The Nakajima-Zwanzig generalized master equation provides a formally exact framework to simulate quantum dynamics in condensed phases. Yet, the exact memory kernel is hard to obtain and calculations based on perturbative expansions are often employed. By using the spin-boson model as an example, we assess the convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation. The exact memory kernels are calculated by combining the hierarchical equation of motion approach and the Dyson expansion of the exact memory kernel. High order expansions of the memory kernels are obtained by extending our previous work to calculate perturbative expansions of open system quantum dynamics [M. Xu et al., J. Chem. Phys. 146, 064102 (2017)]. It is found that the high order expansions do not necessarily converge in certain parameter regimes where the exact kernel show a long memory time, especially in cases of slow bath, weak system-bath coupling, and low temperature. Effectiveness of the Padé and Landau-Zener resummation approaches is tested, and the convergence of higher order rate constants beyond Fermi's golden rule is investigated.

Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model

NASA Astrophysics Data System (ADS)

Xu, Meng; Yan, Yaming; Liu, Yanying; Shi, Qiang

2018-04-01

The Nakajima-Zwanzig generalized master equation provides a formally exact framework to simulate quantum dynamics in condensed phases. Yet, the exact memory kernel is hard to obtain and calculations based on perturbative expansions are often employed. By using the spin-boson model as an example, we assess the convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation. The exact memory kernels are calculated by combining the hierarchical equation of motion approach and the Dyson expansion of the exact memory kernel. High order expansions of the memory kernels are obtained by extending our previous work to calculate perturbative expansions of open system quantum dynamics [M. Xu et al., J. Chem. Phys. 146, 064102 (2017)]. It is found that the high order expansions do not necessarily converge in certain parameter regimes where the exact kernel show a long memory time, especially in cases of slow bath, weak system-bath coupling, and low temperature. Effectiveness of the Padé and Landau-Zener resummation approaches is tested, and the convergence of higher order rate constants beyond Fermi's golden rule is investigated.

Simulating chemistry using quantum computers.

PubMed

Kassal, Ivan; Whitfield, James D; Perdomo-Ortiz, Alejandro; Yung, Man-Hong; Aspuru-Guzik, Alán

2011-01-01

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

PREFACE: International Conference on 'Quantum Control, Exact or Perturbative, Linear or Nonlinear' to celebrate 50 years of the scientific career of Professor Bogdan Mielnik (Mielnik50)

NASA Astrophysics Data System (ADS)

Bretón, N.; Fernández, D.; Kielanowski, P.

2015-06-01

The International Conference on 'Quantum Control, Exact or Perturbative, Linear or Nonlinear', took place in Mexico City on 22-24 October 2014. It was held with the aim of celebrating the first fifty years of scientific career of Bogdan Mielnik, an outstanding scientist whose professional trajectory spans over Poland and Mexico and who is currently Professor Emeritus in the Physics Department of Centro de Investigación y de Estudios Avanzados del IPN (Cinvestav) in Mexico. Bogdan Mielnik was born on May 6th, 1936 in Warsaw, Poland. He studied elementary and high school until 1953. In the autumn of 1953 he started the studies in the Faculty of Mathematics and Physics at the University of Warsaw, and at the end of 1957 he did his master work under the direction of Professor Jerzy Plebański. In 1962 he was invited to the newly opened Research Center of IPN (Cinvestav), in Mexico, as an assistant and PhD student of Jerzy Plebański. On October 22nd, 1964, he submitted to Cinvestav his PhD Thesis entitled ''Analytic functions of the displacement operator'', marking the offcial beginning of his scientific career. It is worth mentioning that Bogdan Mielnik is the first PhD graduate of the Physics Department of Cinvestav, so with this Conference our Department was also celebrating an important date on its calendar. A more detailed information can be found in the website http://www.fis.cinvestav.mx/mielnik50/. It was our great pleasure to see that many collaborators and former students of Bogdan Mielnik attended this Conference. The articles collected in this volume are the written contributions of the majority of talks presented at the conference. They have been organized according to the research subjects that Bogdan Mielnik has been involved in. Thus, the articles of JG Hirsch, L Hughston, G Morales-Luna, O Rosas-Ortiz and G Torres-Vega deal with Fundamental Problems in Quantum Mechanics. On the other hand, the papers by F Delgado, H Hernández-Coronado, G Herrera Corral, F Rojas, KB Wolf and M Znojil belong to the subject of Quantum Control and Dynamical Manipulation, while the articles of D Bermudez, A Contreras-Astorga, E Díaz-Bautista, JC González, V Hussin and VS Morales-Salgado are related with Factorization Method, Supersymmetric Quantum Mechanics and Coherent States. Finally, the papers of S Cruz y Cruz, M Enríquez, A Jaimes-Nájera and R Kerner address some Interdisciplinary Problems in Quantum Mechanics. We would like to conclude by thanking for the support of the Physics Department of Cinvestav, the Academic Affairs Offce of Cinvestav, and the Mexican National Council of Science and Technology (Conacyt, projects 152574 and 166581). Without their support, neither the Conference would have been held nor this Conference Volume would have been published.

Pseudo-steady-state non-Gaussian Einstein-Podolsky-Rosen steering of massive particles in pumped and damped Bose-Hubbard dimers

NASA Astrophysics Data System (ADS)

Olsen, M. K.

2017-02-01

We propose and analyze a pumped and damped Bose-Hubbard dimer as a source of continuous-variable Einstein-Podolsky-Rosen (EPR) steering with non-Gaussian statistics. We use and compare the results of the approximate truncated Wigner and the exact positive-P representation to calculate and compare the predictions for intensities, second-order quantum correlations, and third- and fourth-order cumulants. We find agreement for intensities and the products of inferred quadrature variances, which indicate that states demonstrating the EPR paradox are present. We find clear signals of non-Gaussianity in the quantum states of the modes from both the approximate and exact techniques, with quantitative differences in their predictions. Our proposed experimental configuration is extrapolated from current experimental techniques and adds another apparatus to the current toolbox of quantum atom optics.

Self-dual random-plaquette gauge model and the quantum toric code

NASA Astrophysics Data System (ADS)

Takeda, Koujin; Nishimori, Hidetoshi

2004-05-01

We study the four-dimensional Z2 random-plaquette lattice gauge theory as a model of topological quantum memory, the toric code in particular. In this model, the procedure of quantum error correction works properly in the ordered (Higgs) phase, and phase boundary between the ordered (Higgs) and disordered (confinement) phases gives the accuracy threshold of error correction. Using self-duality of the model in conjunction with the replica method, we show that this model has exactly the same mathematical structure as that of the two-dimensional random-bond Ising model, which has been studied very extensively. This observation enables us to derive a conjecture on the exact location of the multicritical point (accuracy threshold) of the model, pc=0.889972…, and leads to several nontrivial results including bounds on the accuracy threshold in three dimensions.

Stellar Equilibrium in Semiclassical Gravity.

PubMed

Carballo-Rubio, Raúl

2018-02-09

The phenomenon of quantum vacuum polarization in the presence of a gravitational field is well understood and is expected to have a physical reality, but studies of its backreaction on the dynamics of spacetime are practically nonexistent outside of the specific context of homogeneous cosmologies. Building on previous results of quantum field theory in curved spacetimes, in this Letter we first derive the semiclassical equations of stellar equilibrium in the s-wave Polyakov approximation. It is highlighted that incorporating the polarization of the quantum vacuum leads to a generalization of the classical Tolman-Oppenheimer-Volkoff equation. Despite the complexity of the resulting field equations, it is possible to find exact solutions. Aside from being the first known exact solutions that describe relativistic stars including the nonperturbative backreaction of semiclassical effects, these are identified as a nontrivial combination of the black star and gravastar proposals.

Quantum correlations in multipartite quantum systems

NASA Astrophysics Data System (ADS)

Jafarizadeh, M. A.; Heshmati, A.; Karimi, N.; Yahyavi, M.

2018-03-01

Quantum entanglement is the most famous type of quantum correlation between elements of a quantum system that has a basic role in quantum communication protocols like quantum cryptography, teleportation and Bell inequality detection. However, it has already been shown that various applications in quantum information theory do not require entanglement. Quantum discord as a new kind of quantum correlations beyond entanglement, is the most popular candidate for general quantum correlations. In this paper, first we find the entanglement witness in a particular multipartite quantum system which consists of a N-partite system in 2 n -dimensional space. Then we give an exact analytical formula for the quantum discord of this system. At the end of the paper, we investigate the additivity relation of the quantum correlation and show that this relation is satisfied for a N-partite system with 2 n -dimensional space.

On the physical Hilbert space of loop quantum cosmology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noui, Karim; Perez, Alejandro; Vandersloot, Kevin

2005-02-15

In this paper we present a model of Riemannian loop quantum cosmology with a self-adjoint quantum scalar constraint. The physical Hilbert space is constructed using refined algebraic quantization. When matter is included in the form of a cosmological constant, the model is exactly solvable and we show explicitly that the physical Hilbert space is separable, consisting of a single physical state. We extend the model to the Lorentzian sector and discuss important implications for standard loop quantum cosmology.

Quantum glassiness in strongly correlated clean systems: an example of topological overprotection.

PubMed

Chamon, Claudio

2005-02-04

This Letter presents solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three-dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, (1) have no quenched disorder, (2) have solely local interactions, (3) have an exactly solvable spectrum, (4) have topologically ordered ground states, and (5) have slow dynamical relaxation rates akin to those of strong structural glasses.

Quantum Glassiness in Strongly Correlated Clean Systems: An Example of Topological Overprotection

NASA Astrophysics Data System (ADS)

Chamon, Claudio

2005-01-01

This Letter presents solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three-dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, (1)have no quenched disorder, (2)have solely local interactions, (3)have an exactly solvable spectrum, (4)have topologically ordered ground states, and (5)have slow dynamical relaxation rates akin to those of strong structural glasses.

Spectral function of few electrons in quantum wires and carbon nanotubes as a signature of Wigner localization

NASA Astrophysics Data System (ADS)

Secchi, Andrea; Rontani, Massimo

2012-03-01

We demonstrate that the profile of the space-resolved spectral function at finite temperature provides a signature of Wigner localization for electrons in quantum wires and semiconducting carbon nanotubes. Our numerical evidence is based on the exact diagonalization of the microscopic Hamiltonian of few particles interacting in gate-defined quantum dots. The minimal temperature required to suppress residual exchange effects in the spectral function image of (nanotubes) quantum wires lies in the (sub)kelvin range.

What makes the T c of monolayer FeSe on SrTiO 3 so high: a sign-problem-free quantum Monte Carlo study

DOE PAGES

Li, Zi-Xiang; Wang, Fa; Yao, Hong; ...

2016-04-30

Monolayer FeSe films grown on SrTiO 3 (STO) substrate show superconducting gap-opening temperatures (T c) which are almost an order of magnitude higher than those of the bulk FeSe and are highest among all known Fe-based superconductors. Angle-resolved photoemission spectroscopy observed “replica bands” suggesting the importance of the interaction between FeSe electrons and STO phonons. These facts rejuvenated the quest for T c enhancement mechanisms in iron-based, especially iron-chalcogenide, superconductors. Here, we perform the first numerically-exact sign-problem-free quantum Monte Carlo simulations to iron-based superconductors. We (1) study the electronic pairing mechanism intrinsic to heavily electron doped FeSe films, and (2)more » examine the effects of electron–phonon interaction between FeSe and STO as well as nematic fluctuations on T c. Armed with these results, we return to the question “what makes the T c of monolayer FeSe on SrTiO 3 so high?” in the conclusion and discussions.« less

Hotspot-mediated non-dissipative and ultrafast plasmon passage

NASA Astrophysics Data System (ADS)

Roller, Eva-Maria; Besteiro, Lucas V.; Pupp, Claudia; Khorashad, Larousse Khosravi; Govorov, Alexander O.; Liedl, Tim

2017-08-01

Plasmonic nanoparticles hold great promise as photon handling elements and as channels for coherent transfer of energy and information in future all-optical computing devices. Coherent energy oscillations between two spatially separated plasmonic entities via a virtual middle state exemplify electron-based population transfer, but their realization requires precise nanoscale positioning of heterogeneous particles. Here, we show the assembly and optical analysis of a triple-particle system consisting of two gold nanoparticles with an inter-spaced silver island. We observe strong plasmonic coupling between the spatially separated gold particles, mediated by the connecting silver particle, with almost no dissipation of energy. As the excitation energy of the silver island exceeds that of the gold particles, only quasi-occupation of the silver transfer channel is possible. We describe this effect both with exact classical electrodynamic modelling and qualitative quantum-mechanical calculations. We identify the formation of strong hotspots between all particles as the main mechanism for the lossless coupling and thus coherent ultrafast energy transfer between the remote partners. Our findings could prove useful for quantum gate operations, as well as for classical charge and information transfer processes.

Size of photons and the idea of coherence

NASA Astrophysics Data System (ADS)

Pandey, Rakesh Kumar

2018-05-01

Ever since behavior of photons were explained in terms of the matter-wave duality, mystery about the size of such a photon as it behaves like a particle has never slipped out from the scientific discussions. It is normally believed that the size of the photons is of the order of the wavelength of the electromagnetic wave. This paper addresses this scientific concern and attempts at opening the issue up for discussion after making a completely theoretical but consistent proposition. The argument presented here borrows the idea from the way particles have been conceptualized in quantum mechanics. In quantum mechanics it is argued that a particle gets represented not by a single wave but a group of waves in a way that the group velocity of such a group of waves exactly gives the velocity of the particle. Based on the same argument it is explained how the coherence length instead of the wavelength of the electromagnetic wave, must estimate the linear dimension of a photon. In the end, the discussion on the size of a photon in view of the special theory of relativity is also initiated in this paper.

Exact Path Integral for 3D Quantum Gravity.

PubMed

Iizuka, Norihiro; Tanaka, Akinori; Terashima, Seiji

2015-10-16

Three-dimensional Euclidean pure gravity with a negative cosmological constant can be formulated in terms of the Chern-Simons theory, classically. This theory can be written in a supersymmetric way by introducing auxiliary gauginos and scalars. We calculate the exact partition function of this Chern-Simons theory by using the localization technique. Thus, we obtain the quantum gravity partition function, assuming that it can be obtained nonperturbatively by summing over partition functions of the Chern-Simons theory on topologically different manifolds. The resultant partition function is modular invariant, and, in the case in which the central charge is expected to be 24, it is the J function, predicted by Witten.

Random matrix theory of singular values of rectangular complex matrices I: Exact formula of one-body distribution function in fixed-trace ensemble

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adachi, Satoshi; Toda, Mikito; Kubotani, Hiroto

The fixed-trace ensemble of random complex matrices is the fundamental model that excellently describes the entanglement in the quantum states realized in a coupled system by its strongly chaotic dynamical evolution [see H. Kubotani, S. Adachi, M. Toda, Phys. Rev. Lett. 100 (2008) 240501]. The fixed-trace ensemble fully takes into account the conservation of probability for quantum states. The present paper derives for the first time the exact analytical formula of the one-body distribution function of singular values of random complex matrices in the fixed-trace ensemble. The distribution function of singular values (i.e. Schmidt eigenvalues) of a quantum state ismore » so important since it describes characteristics of the entanglement in the state. The derivation of the exact analytical formula utilizes two recent achievements in mathematics, which appeared in 1990s. The first is the Kaneko theory that extends the famous Selberg integral by inserting a hypergeometric type weight factor into the integrand to obtain an analytical formula for the extended integral. The second is the Petkovsek-Wilf-Zeilberger theory that calculates definite hypergeometric sums in a closed form.« less

Nonadiabatic dynamics of photo-induced proton-coupled electron transfer reactions via ring-polymer surface hopping

NASA Astrophysics Data System (ADS)

Shakib, Farnaz; Huo, Pengfei

Photo-induced proton-coupled electron transfer reactions (PCET) are at the heart of energy conversion reactions in photocatalysis. Here, we apply the recently developed ring-polymer surface-hopping (RPSH) approach to simulate the nonadiabatic dynamics of photo-induced PCET. The RPSH method incorporates ring-polymer (RP) quantization of the proton into the fewest-switches surface-hopping (FSSH) approach. Using two diabatic electronic states, corresponding to the electron donor and acceptor states, we model photo-induced PCET with the proton described by a classical isomorphism RP. From the RPSH method, we obtain numerical results that are comparable to those obtained when the proton is treated quantum mechanically. This accuracy stems from incorporating exact quantum statistics, such as proton tunnelling, into approximate quantum dynamics. Additionally, RPSH offers the numerical accuracy along with the computational efficiency. Namely, compared to the FSSH approach in vibronic representation, there is no need to calculate a massive number of vibronic states explicitly. This approach opens up the possibility to accurately and efficiently simulate photo-induced PCET with multiple transferring protons or electrons.

Quantum plasmons with optical-range frequencies in doped few-layer graphene

NASA Astrophysics Data System (ADS)

Shirodkar, Sharmila N.; Mattheakis, Marios; Cazeaux, Paul; Narang, Prineha; Soljačić, Marin; Kaxiras, Efthimios

2018-05-01

Although plasmon modes exist in doped graphene, the limited range of doping achieved by gating restricts the plasmon frequencies to a range that does not include the visible and infrared. Here we show, through the use of first-principles calculations, that the high levels of doping achieved by lithium intercalation in bilayer and trilayer graphene shift the plasmon frequencies into the visible range. To obtain physically meaningful results, we introduce a correction of the effect of plasmon interaction across the vacuum separating periodic images of the doped graphene layers, consisting of transparent boundary conditions in the direction perpendicular to the layers; this represents a significant improvement over the exact Coulomb cutoff technique employed in earlier works. The resulting plasmon modes are due to local field effects and the nonlocal response of the material to external electromagnetic fields, requiring a fully quantum mechanical treatment. We describe the features of these quantum plasmons, including the dispersion relation, losses, and field localization. Our findings point to a strategy for fine-tuning the plasmon frequencies in graphene and other two-dimensional materials.

A New Principle in Physiscs: the Principle "Finiteness", and Some Consequences

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abraham Sternlieb

2010-06-25

In this paper I propose a new principle in physics: the principle of "finiteness". It stems from the definition of physics as a science that deals (among other things) with measurable dimensional physical quantities. Since measurement results, including their errors, are always finite, the principle of finiteness postulates that the mathematical formulation of "legitimate" laws of physics should prevent exactly zero or infinite solutions. Some consequences of the principle of finiteness are discussed, in general, and then more specifically in the fields of special relativity, quantum mechanics, and quantum gravity. The consequences are derived independently of any other theory ormore » principle in physics. I propose "finiteness" as a postulate (like the constancy of the speed of light in vacuum, "c"), as opposed to a notion whose validity has to be corroborated by, or derived theoretically or experimentally from other facts, theories, or principles.« less

Two- and four-dimensional representations of the PT - and CPT -symmetric fermionic algebras

NASA Astrophysics Data System (ADS)

Beygi, Alireza; Klevansky, S. P.; Bender, Carl M.

2018-03-01

Fermionic systems differ from their bosonic counterparts, the main difference with regard to symmetry considerations being that T2=-1 for fermionic systems. In PT -symmetric quantum mechanics an operator has both PT and CPT adjoints. Fermionic operators η , which are quadratically nilpotent (η2=0 ), and algebras with PT and CPT adjoints can be constructed. These algebras obey different anticommutation relations: η ηPT+ηPTη =-1 , where ηPT is the PT adjoint of η , and η ηCPT+ηCPTη =1 , where ηCPT is the CPT adjoint of η . This paper presents matrix representations for the operator η and its PT and CPT adjoints in two and four dimensions. A PT -symmetric second-quantized Hamiltonian modeled on quantum electrodynamics that describes a system of interacting fermions and bosons is constructed within this framework and is solved exactly.

Time-evolution of quantum systems via a complex nonlinear Riccati equation. I. Conservative systems with time-independent Hamiltonian

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cruz, Hans, E-mail: hans@ciencias.unam.mx; Schuch, Dieter; Castaños, Octavio, E-mail: ocasta@nucleares.unam.mx

2015-09-15

The sensitivity of the evolution of quantum uncertainties to the choice of the initial conditions is shown via a complex nonlinear Riccati equation leading to a reformulation of quantum dynamics. This sensitivity is demonstrated for systems with exact analytic solutions with the form of Gaussian wave packets. In particular, one-dimensional conservative systems with at most quadratic Hamiltonians are studied.

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

PubMed

Hele, Timothy J H; Willatt, Michael J; Muolo, Andrea; Althorpe, Stuart C

2015-04-07

We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ(2) at ħ(0) (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O(ħ(2)) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

Fake conformal symmetry in unimodular gravity

NASA Astrophysics Data System (ADS)

Oda, Ichiro

2016-08-01

We study Weyl symmetry (local conformal symmetry) in unimodular gravity. It is shown that the Noether currents for both Weyl symmetry and global scale symmetry vanish exactly as in conformally invariant scalar-tensor gravity. We clearly explain why in the class of conformally invariant gravitational theories, the Noether currents vanish by starting with conformally invariant scalar-tensor gravity. Moreover, we comment on both classical and quantum-mechanical equivalences in Einstein's general relativity, conformally invariant scalar-tensor gravity, and the Weyl-transverse gravity. Finally, we discuss the Weyl current in the conformally invariant scalar action and see that it is also vanishing.

Equivalences of the multi-indexed orthogonal polynomials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odake, Satoru

2014-01-15

Multi-indexed orthogonal polynomials describe eigenfunctions of exactly solvable shape-invariant quantum mechanical systems in one dimension obtained by the method of virtual states deletion. Multi-indexed orthogonal polynomials are labeled by a set of degrees of polynomial parts of virtual state wavefunctions. For multi-indexed orthogonal polynomials of Laguerre, Jacobi, Wilson, and Askey-Wilson types, two different index sets may give equivalent multi-indexed orthogonal polynomials. We clarify these equivalences. Multi-indexed orthogonal polynomials with both type I and II indices are proportional to those of type I indices only (or type II indices only) with shifted parameters.

Nonthermal Hawking radiation from NUT-Taub-like black hole

NASA Astrophysics Data System (ADS)

Zhao, GuoMing; Li, PengZhang

2012-04-01

Using Damour-Ruffini method, we investigate Hawking radiation from NUT-Taub-like (NT-like) black hole. Considering the total energy conservation and the back reaction of the particle to the spacetime, we get the radiation spectrum on the black hole event horizon, which is related to the change of Bekenstein-Hawking entropy. Meanwhile, we find that the radiation is not exactly thermal, and can take out information from the black hole, which can be used to explain the information loss paradox. The result that we get satisfies the unitary theory of quantum mechanics and is consistent with the work finished before.

Exact solution of a quantum forced time-dependent harmonic oscillator

NASA Technical Reports Server (NTRS)

Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN

1992-01-01

The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.

Towards a feasible implementation of quantum neural networks using quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Altaisky, Mikhail V., E-mail: altaisky@mx.iki.rssi.ru, E-mail: nzolnik@iki.rssi.ru; Zolnikova, Nadezhda N., E-mail: altaisky@mx.iki.rssi.ru, E-mail: nzolnik@iki.rssi.ru; Kaputkina, Natalia E., E-mail: nataly@misis.ru

2016-03-07

We propose an implementation of quantum neural networks using an array of quantum dots with dipole-dipole interactions. We demonstrate that this implementation is both feasible and versatile by studying it within the framework of GaAs based quantum dot qubits coupled to a reservoir of acoustic phonons. Using numerically exact Feynman integral calculations, we have found that the quantum coherence in our neural networks survive for over a hundred ps even at liquid nitrogen temperatures (77 K), which is three orders of magnitude higher than current implementations, which are based on SQUID-based systems operating at temperatures in the mK range.

Capacity of a quantum memory channel correlated by matrix product states

NASA Astrophysics Data System (ADS)

Mulherkar, Jaideep; Sunitha, V.

2018-04-01

We study the capacity of a quantum channel where channel acts like controlled phase gate with the control being provided by a one-dimensional quantum spin chain environment. Due to the correlations in the spin chain, we get a quantum channel with memory. We derive formulas for the quantum capacity of this channel when the spin state is a matrix product state. Particularly, we derive exact formulas for the capacity of the quantum memory channel when the environment state is the ground state of the AKLT model and the Majumdar-Ghosh model. We find that the behavior of the capacity for the range of the parameters is analytic.

Quantum Discord Preservation for Two Quantum-Correlated Qubits in Two Independent Reserviors

NASA Astrophysics Data System (ADS)

Xu, Lan

2018-03-01

We investigate the dynamics of quantum discord using an exactly solvable model where two qubits coupled to independent thermal environments. The quantum discord is employed as a non-classical correlation quantifier. By studying the quantum discord of a class of initial states, we find discord remains preserve for a finite time. The effects of the temperature, initial-state parameter, system-reservoir coupling constant and temperature difference parameter of the two independent reserviors are also investigated. We discover that the quantum nature loses faster in high temperature, however, one can extend the time of quantum nature by choosing smaller system-reservoir coupling constant, larger certain initial-state parameter and larger temperature difference parameter.

Environment and initial state engineered dynamics of quantum and classical correlations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Cheng-Zhi, E-mail: czczwang@outlook.com; Li, Chun-Xian; Guo, Yu

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

Exact quantum numbers of collapsed and non-collapsed two-string solutions in the spin-1/2 Heisenberg spin chain

NASA Astrophysics Data System (ADS)

Deguchi, Tetsuo; Ranjan Giri, Pulak

2016-04-01

Every solution of the Bethe-ansatz equations (BAEs) is characterized by a set of quantum numbers, by which we can evaluate it numerically. However, no general rule is known how to give quantum numbers for the physical solutions of BAE. For the spin-1/2 XXX chain we rigorously derive all the quantum numbers for the complete set of the Bethe-ansatz eigenvectors in the two down-spin sector with any chain length N. Here we obtain them both for real and complex solutions. We also show that all the solutions associated with them are distinct. Consequently, we prove the completeness of the Bethe ansatz and give an exact expression for the number of real solutions which correspond to collapsed bound-state solutions (i.e., two-string solutions) in the sector: 2[(N-1)/2-(N/π ){{tan}}-1(\\sqrt{N-1})] in terms of Gauss’ symbol. Moreover, we prove in the sector the scheme conjectured by Takahashi for solving BAE systematically. We also suggest that by applying the present method we can derive the quantum numbers for the spin-1/2 XXZ chain.

Superconducting resonators as beam splitters for linear-optics quantum computation.

PubMed

Chirolli, Luca; Burkard, Guido; Kumar, Shwetank; Divincenzo, David P

2010-06-11

We propose and analyze a technique for producing a beam-splitting quantum gate between two modes of a ring-resonator superconducting cavity. The cavity has two integrated superconducting quantum interference devices (SQUIDs) that are modulated by applying an external magnetic field. The gate is accomplished by applying a radio frequency pulse to one of the SQUIDs at the difference of the two mode frequencies. Departures from perfect beam splitting only arise from corrections to the rotating wave approximation; an exact calculation gives a fidelity of >0.9992. Our construction completes the toolkit for linear-optics quantum computing in circuit quantum electrodynamics.

Atomic structure and stoichiometry of In(Ga)As/GaAs quantum dots grown on an exact-oriented GaP/Si(001) substrate

NASA Astrophysics Data System (ADS)

Schulze, C. S.; Huang, X.; Prohl, C.; Füllert, V.; Rybank, S.; Maddox, S. J.; March, S. D.; Bank, S. R.; Lee, M. L.; Lenz, A.

2016-04-01

The atomic structure and stoichiometry of InAs/InGaAs quantum-dot-in-a-well structures grown on exactly oriented GaP/Si(001) are revealed by cross-sectional scanning tunneling microscopy. An averaged lateral size of 20 nm, heights up to 8 nm, and an In concentration of up to 100% are determined, being quite similar compared with the well-known quantum dots grown on GaAs substrates. Photoluminescence spectra taken from nanostructures of side-by-side grown samples on GaP/Si(001) and GaAs(001) show slightly blue shifted ground-state emission wavelength for growth on GaP/Si(001) with an even higher peak intensity compared with those on GaAs(001). This demonstrates the high potential of GaP/Si(001) templates for integration of III-V optoelectronic components into silicon-based technology.

Atomic quantum simulation of the lattice gauge-Higgs model: Higgs couplings and emergence of exact local gauge symmetry.

PubMed

Kasamatsu, Kenichi; Ichinose, Ikuo; Matsui, Tetsuo

2013-09-13

Recently, the possibility of quantum simulation of dynamical gauge fields was pointed out by using a system of cold atoms trapped on each link in an optical lattice. However, to implement exact local gauge invariance, fine-tuning the interaction parameters among atoms is necessary. In the present Letter, we study the effect of violation of the U(1) local gauge invariance by relaxing the fine-tuning of the parameters and showing that a wide variety of cold atoms is still a faithful quantum simulator for a U(1) gauge-Higgs model containing a Higgs field sitting on sites. The clarification of the dynamics of this gauge-Higgs model sheds some light upon various unsolved problems, including the inflation process of the early Universe. We study the phase structure of this model by Monte Carlo simulation and also discuss the atomic characteristics of the Higgs phase in each simulator.

Efficient steady-state solver for hierarchical quantum master equations

NASA Astrophysics Data System (ADS)

Zhang, Hou-Dao; Qiao, Qin; Xu, Rui-Xue; Zheng, Xiao; Yan, YiJing

2017-07-01

Steady states play pivotal roles in many equilibrium and non-equilibrium open system studies. Their accurate evaluations call for exact theories with rigorous treatment of system-bath interactions. Therein, the hierarchical equations-of-motion (HEOM) formalism is a nonperturbative and non-Markovian quantum dissipation theory, which can faithfully describe the dissipative dynamics and nonlinear response of open systems. Nevertheless, solving the steady states of open quantum systems via HEOM is often a challenging task, due to the vast number of dynamical quantities involved. In this work, we propose a self-consistent iteration approach that quickly solves the HEOM steady states. We demonstrate its high efficiency with accurate and fast evaluations of low-temperature thermal equilibrium of a model Fenna-Matthews-Olson pigment-protein complex. Numerically exact evaluation of thermal equilibrium Rényi entropies and stationary emission line shapes is presented with detailed discussion.

Delving Into Dissipative Quantum Dynamics: From Approximate to Numerically Exact Approaches

NASA Astrophysics Data System (ADS)

Chen, Hsing-Ta

In this thesis, I explore dissipative quantum dynamics of several prototypical model systems via various approaches, ranging from approximate to numerically exact schemes. In particular, in the realm of the approximate I explore the accuracy of Pade-resummed master equations and the fewest switches surface hopping (FSSH) algorithm for the spin-boson model, and non-crossing approximations (NCA) for the Anderson-Holstein model. Next, I develop new and exact Monte Carlo approaches and test them on the spin-boson model. I propose well-defined criteria for assessing the accuracy of Pade-resummed quantum master equations, which correctly demarcate the regions of parameter space where the Pade approximation is reliable. I continue the investigation of spin-boson dynamics by benchmark comparisons of the semiclassical FSSH algorithm to exact dynamics over a wide range of parameters. Despite small deviations from golden-rule scaling in the Marcus regime, standard surface hopping algorithm is found to be accurate over a large portion of parameter space. The inclusion of decoherence corrections via the augmented FSSH algorithm improves the accuracy of dynamical behavior compared to exact simulations, but the effects are generally not dramatic for the cases I consider. Next, I introduce new methods for numerically exact real-time simulation based on real-time diagrammatic Quantum Monte Carlo (dQMC) and the inchworm algorithm. These methods optimally recycle Monte Carlo information from earlier times to greatly suppress the dynamical sign problem. In the context of the spin-boson model, I formulate the inchworm expansion in two distinct ways: the first with respect to an expansion in the system-bath coupling and the second as an expansion in the diabatic coupling. In addition, a cumulant version of the inchworm Monte Carlo method is motivated by the latter expansion, which allows for further suppression of the growth of the sign error. I provide a comprehensive comparison of the performance of the inchworm Monte Carlo algorithms to other exact methodologies as well as a discussion of the relative advantages and disadvantages of each. Finally, I investigate the dynamical interplay between the electron-electron interaction and the electron-phonon coupling within the Anderson-Holstein model via two complementary NCAs: the first is constructed around the weak-coupling limit and the second around the polaron limit. The influence of phonons on spectral and transport properties is explored in equilibrium, for non-equilibrium steady state and for transient dynamics after a quench. I find the two NCAs disagree in nontrivial ways, indicating that more reliable approaches to the problem are needed. The complementary frameworks used here pave the way for numerically exact methods based on inchworm dQMC algorithms capable of treating open systems simultaneously coupled to multiple fermionic and bosonic baths.

Exact solution for a non-Markovian dissipative quantum dynamics.

PubMed

Ferialdi, Luca; Bassi, Angelo

2012-04-27

We provide the exact analytic solution of the stochastic Schrödinger equation describing a harmonic oscillator interacting with a non-Markovian and dissipative environment. This result represents an arrival point in the study of non-Markovian dynamics via stochastic differential equations. It is also one of the few exactly solvable models for infinite-dimensional systems. We compute the Green's function; in the case of a free particle and with an exponentially correlated noise, we discuss the evolution of Gaussian wave functions.

Three-body problem in d-dimensional space: Ground state, (quasi)-exact-solvability

NASA Astrophysics Data System (ADS)

Turbiner, Alexander V.; Miller, Willard; Escobar-Ruiz, M. A.

2018-02-01

As a straightforward generalization and extension of our previous paper [A. V. Turbiner et al., "Three-body problem in 3D space: Ground state, (quasi)-exact-solvability," J. Phys. A: Math. Theor. 50, 215201 (2017)], we study the aspects of the quantum and classical dynamics of a 3-body system with equal masses, each body with d degrees of freedom, with interaction depending only on mutual (relative) distances. The study is restricted to solutions in the space of relative motion which are functions of mutual (relative) distances only. It is shown that the ground state (and some other states) in the quantum case and the planar trajectories (which are in the interaction plane) in the classical case are of this type. The quantum (and classical) Hamiltonian for which these states are eigenfunctions is derived. It corresponds to a three-dimensional quantum particle moving in a curved space with special d-dimension-independent metric in a certain d-dependent singular potential, while at d = 1, it elegantly degenerates to a two-dimensional particle moving in flat space. It admits a description in terms of pure geometrical characteristics of the interaction triangle which is defined by the three relative distances. The kinetic energy of the system is d-independent; it has a hidden sl(4, R) Lie (Poisson) algebra structure, alternatively, the hidden algebra h(3) typical for the H3 Calogero model as in the d = 3 case. We find an exactly solvable three-body S3-permutationally invariant, generalized harmonic oscillator-type potential as well as a quasi-exactly solvable three-body sextic polynomial type potential with singular terms. For both models, an extra first order integral exists. For d = 1, the whole family of 3-body (two-dimensional) Calogero-Moser-Sutherland systems as well as the Tremblay-Turbiner-Winternitz model is reproduced. It is shown that a straightforward generalization of the 3-body (rational) Calogero model to d > 1 leads to two primitive quasi-exactly solvable problems. The extension to the case of non-equal masses is straightforward and is briefly discussed.

Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution.

PubMed

Orr, Lindsay; Hernández de la Peña, Lisandro; Roy, Pierre-Nicholas

2017-06-07

A derivation of quantum statistical mechanics based on the concept of a Feynman path centroid is presented for the case of generalized density operators using the projected density operator formalism of Blinov and Roy [J. Chem. Phys. 115, 7822-7831 (2001)]. The resulting centroid densities, centroid symbols, and centroid correlation functions are formulated and analyzed in the context of the canonical equilibrium picture of Jang and Voth [J. Chem. Phys. 111, 2357-2370 (1999)]. The case where the density operator projects onto a particular energy eigenstate of the system is discussed, and it is shown that one can extract microcanonical dynamical information from double Kubo transformed correlation functions. It is also shown that the proposed projection operator approach can be used to formally connect the centroid and Wigner phase-space distributions in the zero reciprocal temperature β limit. A Centroid Molecular Dynamics (CMD) approximation to the state-projected exact quantum dynamics is proposed and proven to be exact in the harmonic limit. The state projected CMD method is also tested numerically for a quartic oscillator and a double-well potential and found to be more accurate than canonical CMD. In the case of a ground state projection, this method can resolve tunnelling splittings of the double well problem in the higher barrier regime where canonical CMD fails. Finally, the state-projected CMD framework is cast in a path integral form.

Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution

NASA Astrophysics Data System (ADS)

Orr, Lindsay; Hernández de la Peña, Lisandro; Roy, Pierre-Nicholas

2017-06-01

A derivation of quantum statistical mechanics based on the concept of a Feynman path centroid is presented for the case of generalized density operators using the projected density operator formalism of Blinov and Roy [J. Chem. Phys. 115, 7822-7831 (2001)]. The resulting centroid densities, centroid symbols, and centroid correlation functions are formulated and analyzed in the context of the canonical equilibrium picture of Jang and Voth [J. Chem. Phys. 111, 2357-2370 (1999)]. The case where the density operator projects onto a particular energy eigenstate of the system is discussed, and it is shown that one can extract microcanonical dynamical information from double Kubo transformed correlation functions. It is also shown that the proposed projection operator approach can be used to formally connect the centroid and Wigner phase-space distributions in the zero reciprocal temperature β limit. A Centroid Molecular Dynamics (CMD) approximation to the state-projected exact quantum dynamics is proposed and proven to be exact in the harmonic limit. The state projected CMD method is also tested numerically for a quartic oscillator and a double-well potential and found to be more accurate than canonical CMD. In the case of a ground state projection, this method can resolve tunnelling splittings of the double well problem in the higher barrier regime where canonical CMD fails. Finally, the state-projected CMD framework is cast in a path integral form.

Semiclassical modelling of finite-pulse effects on non-adiabatic photodynamics via initial condition filtering: The predissociation of NaI as a test case

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez-Mesa, Aliezer; Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm; Saalfrank, Peter

2015-05-21

Femtosecond-laser pulse driven non-adiabatic spectroscopy and dynamics in molecular and condensed phase systems continue to be a challenge for theoretical modelling. One of the main obstacles is the “curse of dimensionality” encountered in non-adiabatic, exact wavepacket propagation. A possible route towards treating complex molecular systems is via semiclassical surface-hopping schemes, in particular if they account not only for non-adiabatic post-excitation dynamics but also for the initial optical excitation. One such approach, based on initial condition filtering, will be put forward in what follows. As a simple test case which can be compared with exact wavepacket dynamics, we investigate the influencemore » of the different parameters determining the shape of a laser pulse (e.g., its finite width and a possible chirp) on the predissociation dynamics of a NaI molecule, upon photoexcitation of the A(0{sup +}) state. The finite-pulse effects are mapped into the initial conditions for semiclassical surface-hopping simulations. The simulated surface-hopping diabatic populations are in qualitative agreement with the quantum mechanical results, especially concerning the subpicosend photoinduced dynamics, the main deviations being the relative delay of the non-adiabatic transitions in the semiclassical picture. Likewise, these differences in the time-dependent electronic populations calculated via the semiclassical and the quantum methods are found to have a mild influence on the overall probability density distribution. As a result, the branching ratios between the bound and the dissociative reaction channels and the time-evolution of the molecular wavepacket predicted by the semiclassical method agree with those computed using quantum wavepacket propagation. Implications for more challenging molecular systems are given.« less

Deformed quantum double realization of the toric code and beyond

NASA Astrophysics Data System (ADS)

Padmanabhan, Pramod; Ibieta-Jimenez, Juan Pablo; Bernabe Ferreira, Miguel Jorge; Teotonio-Sobrinho, Paulo

2016-09-01

Quantum double models, such as the toric code, can be constructed from transfer matrices of lattice gauge theories with discrete gauge groups and parametrized by the center of the gauge group algebra and its dual. For general choices of these parameters the transfer matrix contains operators acting on links which can also be thought of as perturbations to the quantum double model driving it out of its topological phase and destroying the exact solvability of the quantum double model. We modify these transfer matrices with perturbations and extract exactly solvable models which remain in a quantum phase, thus nullifying the effect of the perturbation. The algebra of the modified vertex and plaquette operators now obey a deformed version of the quantum double algebra. The Abelian cases are shown to be in the quantum double phase whereas the non-Abelian phases are shown to be in a modified phase of the corresponding quantum double phase. These are illustrated with the groups Zn and S3. The quantum phases are determined by studying the excitations of these systems namely their fusion rules and the statistics. We then go further to construct a transfer matrix which contains the other Z2 phase namely the double semion phase. More generally for other discrete groups these transfer matrices contain the twisted quantum double models. These transfer matrices can be thought of as being obtained by introducing extra parameters into the transfer matrix of lattice gauge theories. These parameters are central elements belonging to the tensor products of the algebra and its dual and are associated to vertices and volumes of the three dimensional lattice. As in the case of the lattice gauge theories we construct the operators creating the excitations in this case and study their braiding and fusion properties.

New Class of Quantum Error-Correcting Codes for a Bosonic Mode

NASA Astrophysics Data System (ADS)

Michael, Marios H.; Silveri, Matti; Brierley, R. T.; Albert, Victor V.; Salmilehto, Juha; Jiang, Liang; Girvin, S. M.

2016-07-01

We construct a new class of quantum error-correcting codes for a bosonic mode, which are advantageous for applications in quantum memories, communication, and scalable computation. These "binomial quantum codes" are formed from a finite superposition of Fock states weighted with binomial coefficients. The binomial codes can exactly correct errors that are polynomial up to a specific degree in bosonic creation and annihilation operators, including amplitude damping and displacement noise as well as boson addition and dephasing errors. For realistic continuous-time dissipative evolution, the codes can perform approximate quantum error correction to any given order in the time step between error detection measurements. We present an explicit approximate quantum error recovery operation based on projective measurements and unitary operations. The binomial codes are tailored for detecting boson loss and gain errors by means of measurements of the generalized number parity. We discuss optimization of the binomial codes and demonstrate that by relaxing the parity structure, codes with even lower unrecoverable error rates can be achieved. The binomial codes are related to existing two-mode bosonic codes, but offer the advantage of requiring only a single bosonic mode to correct amplitude damping as well as the ability to correct other errors. Our codes are similar in spirit to "cat codes" based on superpositions of the coherent states but offer several advantages such as smaller mean boson number, exact rather than approximate orthonormality of the code words, and an explicit unitary operation for repumping energy into the bosonic mode. The binomial quantum codes are realizable with current superconducting circuit technology, and they should prove useful in other quantum technologies, including bosonic quantum memories, photonic quantum communication, and optical-to-microwave up- and down-conversion.

Ericson fluctuations in an open deterministic quantum system: theory meets experiment.

PubMed

Madroñero, Javier; Buchleitner, Andreas

2005-12-31

We provide numerically exact photoexcitation cross sections of rubidium Rydberg states in crossed, static electric, and magnetic fields, in quantitative agreement with recent experimental results. Their spectral backbone underpins a clear transition towards the Ericson regime, associated with a universal, fluctuating behavior of the cross section of strongly coupled, fragmenting quantum systems.

Physics in one dimension: theoretical concepts for quantum many-body systems.

PubMed

Schönhammer, K

2013-01-09

Various sophisticated approximation methods exist for the description of quantum many-body systems. It was realized early on that the theoretical description can simplify considerably in one-dimensional systems and various exact solutions exist. The focus in this introductory paper is on fermionic systems and the emergence of the Luttinger liquid concept.

Thermalization near Integrability in a Dipolar Quantum Newton's Cradle

NASA Astrophysics Data System (ADS)

Tang, Yijun; Kao, Wil; Li, Kuan-Yu; Seo, Sangwon; Mallayya, Krishnanand; Rigol, Marcos; Gopalakrishnan, Sarang; Lev, Benjamin L.

2018-04-01

Isolated quantum many-body systems with integrable dynamics generically do not thermalize when taken far from equilibrium. As one perturbs such systems away from the integrable point, thermalization sets in, but the nature of the crossover from integrable to thermalizing behavior is an unresolved and actively discussed question. We explore this question by studying the dynamics of the momentum distribution function in a dipolar quantum Newton's cradle consisting of highly magnetic dysprosium atoms. This is accomplished by creating the first one-dimensional Bose gas with strong magnetic dipole-dipole interactions. These interactions provide tunability of both the strength of the integrability-breaking perturbation and the nature of the near-integrable dynamics. We provide the first experimental evidence that thermalization close to a strongly interacting integrable point occurs in two steps: prethermalization followed by near-exponential thermalization. Exact numerical calculations on a two-rung lattice model yield a similar two-timescale process, suggesting that this is generic in strongly interacting near-integrable models. Moreover, the measured thermalization rate is consistent with a parameter-free theoretical estimate, based on identifying the types of collisions that dominate thermalization. By providing tunability between regimes of integrable and nonintegrable dynamics, our work sheds light on the mechanisms by which isolated quantum many-body systems thermalize and on the temporal structure of the onset of thermalization.

Effects of magnetic field on electron-electron intersubband scattering rates in quantum wells.

NASA Astrophysics Data System (ADS)

Kempa, K.; Zhou, Y.; Engelbrecht, J.; Bakshi, P.

2001-03-01

Electron-electron scattering dominates the physics of carrier relaxation in quantum nano-structures used as active regions of THz radiation sources. This is the limiting mechanism in achieving population inversion, and reducing its deleterious effects could clear the way to a THz laser. We study here the inter-subband relaxation processes due to the electron-electron scattering in quantum well structures, in a magnetic field. We obtain the scattering rate from the imaginary part of the electron self-energy in the random phase approximation, extending our earlier studies [1] to nonzero magnetic fields. We find that the scattering rate is peaked at two possible sets of arrangements of the Landau levels (LL) of the two subbands of interest. The first set occurs when the LL of both subbands align, and the other when the LL misalign, so that the LL of one subband lie exactly in the middle between those of the other subband. Experiments on various quantum cascade structures show that the misaligned set of transitions is completely suppressed. >From our calculations this implies that there is no population inversion in those structures. Work supported by US Army Research Office. [1] K. Kempa, P. Bakshi, J. R. Engelbrecht, and Y. Zhou, Phys. Rev. B61, 11083 (2000).

The principle of finiteness - a guideline for physical laws

NASA Astrophysics Data System (ADS)

Sternlieb, Abraham

2013-04-01

I propose a new principle in physics-the principle of finiteness (FP). It stems from the definition of physics as a science that deals with measurable dimensional physical quantities. Since measurement results including their errors, are always finite, FP postulates that the mathematical formulation of legitimate laws in physics should prevent exactly zero or infinite solutions. I propose finiteness as a postulate, as opposed to a statement whose validity has to be corroborated by, or derived theoretically or experimentally from other facts, theories or principles. Some consequences of FP are discussed, first in general, and then more specifically in the fields of special relativity, quantum mechanics, and quantum gravity. The corrected Lorentz transformations include an additional translation term depending on the minimum length epsilon. The relativistic gamma is replaced by a corrected gamma, that is finite for v=c. To comply with FP, physical laws should include the relevant extremum finite values in their mathematical formulation. An important prediction of FP is that there is a maximum attainable relativistic mass/energy which is the same for all subatomic particles, meaning that there is a maximum theoretical value for cosmic rays energy. The Generalized Uncertainty Principle required by Quantum Gravity is actually a necessary consequence of FP at Planck's scale. Therefore, FP may possibly contribute to the axiomatic foundation of Quantum Gravity.

Toward simulating complex systems with quantum effects

NASA Astrophysics Data System (ADS)

Kenion-Hanrath, Rachel Lynn

Quantum effects like tunneling, coherence, and zero point energy often play a significant role in phenomena on the scales of atoms and molecules. However, the exact quantum treatment of a system scales exponentially with dimensionality, making it impractical for characterizing reaction rates and mechanisms in complex systems. An ongoing effort in the field of theoretical chemistry and physics is extending scalable, classical trajectory-based simulation methods capable of capturing quantum effects to describe dynamic processes in many-body systems; in the work presented here we explore two such techniques. First, we detail an explicit electron, path integral (PI)-based simulation protocol for predicting the rate of electron transfer in condensed-phase transition metal complex systems. Using a PI representation of the transferring electron and a classical representation of the transition metal complex and solvent atoms, we compute the outer sphere free energy barrier and dynamical recrossing factor of the electron transfer rate while accounting for quantum tunneling and zero point energy effects. We are able to achieve this employing only a single set of force field parameters to describe the system rather than parameterizing along the reaction coordinate. Following our success in describing a simple model system, we discuss our next steps in extending our protocol to technologically relevant materials systems. The latter half focuses on the Mixed Quantum-Classical Initial Value Representation (MQC-IVR) of real-time correlation functions, a semiclassical method which has demonstrated its ability to "tune'' between quantum- and classical-limit correlation functions while maintaining dynamic consistency. Specifically, this is achieved through a parameter that determines the quantumness of individual degrees of freedom. Here, we derive a semiclassical correction term for the MQC-IVR to systematically characterize the error introduced by different choices of simulation parameters, and demonstrate the ability of this approach to optimize MQC-IVR simulations.

Open Quantum Walks with Noncommuting Jump Operators

NASA Astrophysics Data System (ADS)

Caballar, Roland Cristopher; Petruccione, Francesco; Sinayskiy, Ilya

2014-03-01

We examine homogeneous open quantum walks along a line, wherein each forward step is due to one quantum jump operator, and each backward step due to another quantum jump operator. We assume that these two quantum jump operators do not commute with each other. We show that if the system has N internal degrees of freedom, for particular forms of these quantum jump operators, we can obtain exact probability distributions which fall into two distinct classes, namely Gaussian distributions and solitonic distributions. We also show that it is possible for a maximum of 2 solitonic distributions to be present simultaneously in the system. Finally, we consider applications of these classes of jump operators in quantum state preparation and quantum information. We acknowledge support from the National Institute for Theoretical Physics (NITheP).

Rate-loss analysis of an efficient quantum repeater architecture

NASA Astrophysics Data System (ADS)

Guha, Saikat; Krovi, Hari; Fuchs, Christopher A.; Dutton, Zachary; Slater, Joshua A.; Simon, Christoph; Tittel, Wolfgang

2015-08-01

We analyze an entanglement-based quantum key distribution (QKD) architecture that uses a linear chain of quantum repeaters employing photon-pair sources, spectral-multiplexing, linear-optic Bell-state measurements, multimode quantum memories, and classical-only error correction. Assuming perfect sources, we find an exact expression for the secret-key rate, and an analytical description of how errors propagate through the repeater chain, as a function of various loss-and-noise parameters of the devices. We show via an explicit analytical calculation, which separately addresses the effects of the principle nonidealities, that this scheme achieves a secret-key rate that surpasses the Takeoka-Guha-Wilde bound—a recently found fundamental limit to the rate-vs-loss scaling achievable by any QKD protocol over a direct optical link—thereby providing one of the first rigorous proofs of the efficacy of a repeater protocol. We explicitly calculate the end-to-end shared noisy quantum state generated by the repeater chain, which could be useful for analyzing the performance of other non-QKD quantum protocols that require establishing long-distance entanglement. We evaluate that shared state's fidelity and the achievable entanglement-distillation rate, as a function of the number of repeater nodes, total range, and various loss-and-noise parameters of the system. We extend our theoretical analysis to encompass sources with nonzero two-pair-emission probability, using an efficient exact numerical evaluation of the quantum state propagation and measurements. We expect our results to spur formal rate-loss analysis of other repeater protocols and also to provide useful abstractions to seed analyses of quantum networks of complex topologies.

Nonlinear Stimulated Raman Exact Passage by Resonance-Locked Inverse Engineering

NASA Astrophysics Data System (ADS)

Dorier, V.; Gevorgyan, M.; Ishkhanyan, A.; Leroy, C.; Jauslin, H. R.; Guérin, S.

2017-12-01

We derive an exact and robust stimulated Raman process for nonlinear quantum systems driven by pulsed external fields. The external fields are designed with closed-form expressions from the inverse engineering of a given efficient and stable dynamics. This technique allows one to induce a controlled population inversion which surpasses the usual nonlinear stimulated Raman adiabatic passage efficiency.

Degeneracy of energy levels of pseudo-Gaussian oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iacob, Theodor-Felix; Iacob, Felix, E-mail: felix@physics.uvt.ro; Lute, Marina

2015-12-07

We study the main features of the isotropic radial pseudo-Gaussian oscillators spectral properties. This study is made upon the energy levels degeneracy with respect to orbital angular momentum quantum number. In a previous work [6] we have shown that the pseudo-Gaussian oscillators belong to the class of quasi-exactly solvable models and an exact solution has been found.

Novel Quantum Phases at Interfaces

DTIC Science & Technology

2014-12-12

89.085122 Mehdi Kargarian, Gregory A. Fiete. Multiorbital effects on thermoelectric properties of strongly correlated materials , Physical Review B...Multi-orbital Effects on Thermoelectric Properties of Strongly Correlated Materials , ArXiv e-prints (08 2013) Joseph Maciejko, Victor Chua...Lei Wang , Gregory A. Fiete. Finite- size and interaction effects on topological phase transitions via numerically exact quantum Monte Carlo

Communication cost of simulating Bell correlations.

PubMed

Toner, B F; Bacon, D

2003-10-31

What classical resources are required to simulate quantum correlations? For the simplest and most important case of local projective measurements on an entangled Bell pair state, we show that exact simulation is possible using local hidden variables augmented by just one bit of classical communication. Certain quantum teleportation experiments, which teleport a single qubit, therefore admit a local hidden variables model.

Distance between Quantum States and Gauge-Gravity Duality.

PubMed

Miyaji, Masamichi; Numasawa, Tokiro; Shiba, Noburo; Takayanagi, Tadashi; Watanabe, Kento

2015-12-31

We study a quantum information metric (or fidelity susceptibility) in conformal field theories with respect to a small perturbation by a primary operator. We argue that its gravity dual is approximately given by a volume of maximal time slice in an anti-de Sitter spacetime when the perturbation is exactly marginal. We confirm our claim in several examples.

Quantum field between moving mirrors: A three dimensional example

NASA Technical Reports Server (NTRS)

Hacyan, S.; Jauregui, Roco; Villarreal, Carlos

1995-01-01

The scalar quantum field uniformly moving plates in three dimensional space is studied. Field equations for Dirichlet boundary conditions are solved exactly. Comparison of the resulting wavefunctions with their instantaneous static counterpart is performed via Bogolubov coefficients. Unlike the one dimensional problem, 'particle' creation as well as squeezing may occur. The time dependent Casimir energy is also evaluated.

Relation between random walks and quantum walks

NASA Astrophysics Data System (ADS)

Boettcher, Stefan; Falkner, Stefan; Portugal, Renato

2015-05-01

Based on studies of four specific networks, we conjecture a general relation between the walk dimensions dw of discrete-time random walks and quantum walks with the (self-inverse) Grover coin. In each case, we find that dw of the quantum walk takes on exactly half the value found for the classical random walk on the same geometry. Since walks on homogeneous lattices satisfy this relation trivially, our results for heterogeneous networks suggest that such a relation holds irrespective of whether translational invariance is maintained or not. To develop our results, we extend the renormalization-group analysis (RG) of the stochastic master equation to one with a unitary propagator. As in the classical case, the solution ρ (x ,t ) in space and time of this quantum-walk equation exhibits a scaling collapse for a variable xdw/t in the weak limit, which defines dw and illuminates fundamental aspects of the walk dynamics, e.g., its mean-square displacement. We confirm the collapse for ρ (x ,t ) in each case with extensive numerical simulation. The exact values for dw themselves demonstrate that RG is a powerful complementary approach to study the asymptotics of quantum walks that weak-limit theorems have not been able to access, such as for systems lacking translational symmetries beyond simple trees.

Theory of dissociative tunneling ionization

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2016-05-01

We present a theoretical study of the dissociative tunneling ionization process. Analytic expressions for the nuclear kinetic energy distribution of the ionization rates are derived. A particularly simple expression for the spectrum is found by using the Born-Oppenheimer (BO) approximation in conjunction with the reflection principle. These spectra are compared to exact non-BO ab initio spectra obtained through model calculations with a quantum mechanical treatment of both the electronic and nuclear degrees of freedom. In the regime where the BO approximation is applicable, imaging of the BO nuclear wave function is demonstrated to be possible through reverse use of the reflection principle, when accounting appropriately for the electronic ionization rate. A qualitative difference between the exact and BO wave functions in the asymptotic region of large electronic distances is shown. Additionally, the behavior of the wave function across the turning line is seen to be reminiscent of light refraction. For weak fields, where the BO approximation does not apply, the weak-field asymptotic theory describes the spectrum accurately.

Many-body localization transition: Schmidt gap, entanglement length, and scaling

NASA Astrophysics Data System (ADS)

Gray, Johnnie; Bose, Sougato; Bayat, Abolfazl

2018-05-01

Many-body localization has become an important phenomenon for illuminating a potential rift between nonequilibrium quantum systems and statistical mechanics. However, the nature of the transition between ergodic and localized phases in models displaying many-body localization is not yet well understood. Assuming that this is a continuous transition, analytic results show that the length scale should diverge with a critical exponent ν ≥2 in one-dimensional systems. Interestingly, this is in stark contrast with all exact numerical studies which find ν ˜1 . We introduce the Schmidt gap, new in this context, which scales near the transition with an exponent ν >2 compatible with the analytical bound. We attribute this to an insensitivity to certain finite-size fluctuations, which remain significant in other quantities at the sizes accessible to exact numerical methods. Additionally, we find that a physical manifestation of the diverging length scale is apparent in the entanglement length computed using the logarithmic negativity between disjoint blocks.

The relation between the quantum discord and quantum teleportation: The physical interpretation of the transition point between different quantum discord decay regimes

NASA Astrophysics Data System (ADS)

Roszak, K.; Cywiński, Ł.

2015-10-01

We study quantum teleportation via Bell-diagonal mixed states of two qubits in the context of the intrinsic properties of the quantum discord. We show that when the quantum-correlated state of the two qubits is used for quantum teleportation, the character of the teleportation efficiency changes substantially depending on the Bell-diagonal-state parameters, which can be seen when the worst-case-scenario or best-case-scenario fidelity is studied. Depending on the parameter range, one of two types of single-qubit states is hardest/easiest to teleport. The transition between these two parameter ranges coincides exactly with the transition between the range of classical correlation decay and quantum correlation decay characteristic for the evolution of the quantum discord. The correspondence provides a physical interpretation for the prominent feature of the decay of the quantum discord.

Eigenstates and dynamics of Hooke's atom: Exact results and path integral simulations

NASA Astrophysics Data System (ADS)

Gholizadehkalkhoran, Hossein; Ruokosenmäki, Ilkka; Rantala, Tapio T.

2018-05-01

The system of two interacting electrons in one-dimensional harmonic potential or Hooke's atom is considered, again. On one hand, it appears as a model for quantum dots in a strong confinement regime, and on the other hand, it provides us with a hard test bench for new methods with the "space splitting" arising from the one-dimensional Coulomb potential. Here, we complete the numerous previous studies of the ground state of Hooke's atom by including the excited states and dynamics, not considered earlier. With the perturbation theory, we reach essentially exact eigenstate energies and wave functions for the strong confinement regime as novel results. We also consider external perturbation induced quantum dynamics in a simple separable case. Finally, we test our novel numerical approach based on real-time path integrals (RTPIs) in reproducing the above. The RTPI turns out to be a straightforward approach with exact account of electronic correlations for solving the eigenstates and dynamics without the conventional restrictions of electronic structure methods.

Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics.

PubMed

Narzi, Daniele; Capone, Matteo; Bovi, Daniele; Guidoni, Leonardo

2018-04-16

Water oxidation in the early steps of natural photosynthesis is fulfilled by photosystem II, which is a protein complex embedded in the thylakoid membrane inside chloroplasts. The water oxidation reaction occurs in the catalytic core of photosystem II, which consists of a Mn4Ca metal cluster, at which, after the accumulation of four oxidising equivalents through five steps (S0-S4) of the Kok-Joliot cycle, two water molecules are split into electrons, protons, and molecular oxygen. In recent years, by combining experimental and theoretical approaches, new insights have been achieved into the structural and electronic properties of different steps of the catalytic cycle. Nevertheless, the exact catalytic mechanism, especially concerning the final stages of the cycle, remains elusive and greatly debated. Herein, by means of quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations, from the structural, electronic, and magnetic points of view, the S 3 state before and upon oxidation has been characterised. In contrast with the S 2 state, the oxidation of the S 3 state is not followed by a spontaneous proton-coupled electron-transfer event. Nevertheless, upon modelling the reduction of the tyrosine residue in photosystem II (Tyr Z ) and the protonation of Asp61, spontaneous proton transfer occurs, leading to the deprotonation of an oxygen atom bound to Mn1; thus making it available for O-O bond formation. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hot spot-mediated non-dissipative and ultrafast plasmon passage.

PubMed

Roller, Eva-Maria; Besteiro, Lucas V; Pupp, Claudia; Khorashad, Larousse Khosravi; Govorov, Alexander O; Liedl, Tim

2017-08-01

Plasmonic nanoparticles hold great promise as photon handling elements and as channels for coherent transfer of energy and information in future all-optical computing devices.1-5 Coherent energy oscillations between two spatially separated plasmonic entities via a virtual middle state exemplify electron-based population transfer, but their realization requires precise nanoscale positioning of heterogeneous particles.6-10 Here, we show the assembly and optical analysis of a triple particle system consisting of two gold nanoparticles with an inter-spaced silver island. We observe strong plasmonic coupling between the spatially separated gold particles mediated by the connecting silver particle with almost no dissipation of energy. As the excitation energy of the silver island exceeds that of the gold particles, only quasi-occupation of the silver transfer channel is possible. We describe this effect both with exact classical electrodynamic modeling and qualitative quantum-mechanical calculations. We identify the formation of strong hot spots between all particles as the main mechanism for the loss-less coupling and thus coherent ultra-fast energy transfer between the remote partners. Our findings could prove useful for quantum gate operations, but also for classical charge and information transfer processes.

Optical scheme for simulating post-quantum nonlocality distillation.

PubMed

Chu, Wen-Jing; Yang, Ming; Pan, Guo-Zhu; Yang, Qing; Cao, Zhuo-Liang

2016-11-28

An optical scheme for simulating nonlocality distillation is proposed in post-quantum regime. The nonlocal boxes are simulated by measurements on appropriately pre- and post-selected polarization entangled photon pairs, i.e. post-quantum nonlocality is simulated by exploiting fair-sampling loophole in a Bell test. Mod 2 addition on the outputs of two nonlocal boxes combined with pre- and post-selection operations constitutes the key operation of simulating nonlocality distillation. This scheme provides a possible tool for the experimental study on the nonlocality in post-quantum regime and the exact physical principle precisely distinguishing physically realizable correlations from nonphysical ones.

Current rectification in a double quantum dot through fermionic reservoir engineering

NASA Astrophysics Data System (ADS)

Malz, Daniel; Nunnenkamp, Andreas

2018-04-01

Reservoir engineering is a powerful tool for the robust generation of quantum states or transport properties. Using both a weak-coupling quantum master equation and the exact solution, we show that directional transport of electrons through a double quantum dot can be achieved through an appropriately designed electronic environment. Directionality is attained through the interference of coherent and dissipative coupling. The relative phase is tuned with an external magnetic field, such that directionality can be reversed, as well as turned on and off dynamically. Our work introduces fermionic-reservoir engineering, paving the way to a new class of nanoelectronic devices.

Quantum Darwinism in an Everyday Environment: Huge Redundancy in Scattered Photons

NASA Astrophysics Data System (ADS)

Riedel, C. Jess; Zurek, Wojciech H.

2010-07-01

We study quantum Darwinism—the redundant recording of information about the preferred states of a decohering system by its environment—for an object illuminated by a blackbody. In the cases of point-source and isotropic illumination, we calculate the quantum mutual information between the object and its photon environment. We demonstrate that this realistic model exhibits fast and extensive proliferation of information about the object into the environment and results in redundancies orders of magnitude larger than the exactly soluble models considered to date.

Quantum Darwinism in an everyday environment: huge redundancy in scattered photons.

PubMed

Riedel, C Jess; Zurek, Wojciech H

2010-07-09

We study quantum Darwinism--the redundant recording of information about the preferred states of a decohering system by its environment--for an object illuminated by a blackbody. In the cases of point-source and isotropic illumination, we calculate the quantum mutual information between the object and its photon environment. We demonstrate that this realistic model exhibits fast and extensive proliferation of information about the object into the environment and results in redundancies orders of magnitude larger than the exactly soluble models considered to date.

Effect of Fourier transform on the streaming in quantum lattice gas algorithms

NASA Astrophysics Data System (ADS)

Oganesov, Armen; Vahala, George; Vahala, Linda; Soe, Min

2018-04-01

All our previous quantum lattice gas algorithms for nonlinear physics have approximated the kinetic energy operator by streaming sequences to neighboring lattice sites. Here, the kinetic energy can be treated to all orders by Fourier transforming the kinetic energy operator with interlaced Dirac-based unitary collision operators. Benchmarking against exact solutions for the 1D nonlinear Schrodinger equation shows an extended range of parameters (soliton speeds and amplitudes) over the Dirac-based near-lattice-site streaming quantum algorithm.

Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field

NASA Astrophysics Data System (ADS)

Krokhmalskii, Taras; Baliha, Vasyl; Derzhko, Oleg; Schulenburg, Jörg; Richter, Johannes

2018-05-01

Frustrated bilayer quantum magnets have attracted attention as flat-band spin systems with unconventional thermodynamic properties. We study the low-temperature properties of a frustrated honeycomb-lattice bilayer spin-1/2 isotropic (XXX) Heisenberg antiferromagnet in a magnetic field by means of an effective low-energy theory using exact diagonalizations and quantum Monte Carlo simulations. Our main focus is on the magnetization curve and the temperature dependence of the specific heat indicating a finite-temperature phase transition in high magnetic fields.

Nature of Continuous Phase Transitions in Interacting Topological Insulators

DOE PAGES

Zeng, Tian-sheng; Zhu, Wei; Zhu, Jianxin; ...

2017-11-08

Here, we revisit the effects of the Hubbard repulsion on quantum spin Hall effects (QSHE) in two-dimensional quantum lattice models. We present both unbiased exact diagonalization and density-matrix renormalization group simulations with numerical evidence for a continuous quantum phase transition (CQPT) separating QSHE from the topologically trivial antiferromagnetic phase. Our numerical results suggest that the nature of CQPT exhibits distinct finite-size scaling behaviors, which may be consistent with either Ising or XY universality classes for different time-reversal symmetric QSHE systems.

Nature of Continuous Phase Transitions in Interacting Topological Insulators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Tian-sheng; Zhu, Wei; Zhu, Jianxin

Here, we revisit the effects of the Hubbard repulsion on quantum spin Hall effects (QSHE) in two-dimensional quantum lattice models. We present both unbiased exact diagonalization and density-matrix renormalization group simulations with numerical evidence for a continuous quantum phase transition (CQPT) separating QSHE from the topologically trivial antiferromagnetic phase. Our numerical results suggest that the nature of CQPT exhibits distinct finite-size scaling behaviors, which may be consistent with either Ising or XY universality classes for different time-reversal symmetric QSHE systems.

Orbital Picture of Ionization and Its Breakdown in Nanoarrays of Quantum Dots

NASA Astrophysics Data System (ADS)

Bâldea, Ioan; Cederbaum, Lorenz S.

2002-09-01

We present exact numerical results indicating that ionization could be a useful tool to study electron correlations in artificial molecules and nanoarrays of metallic quantum dots. For nanorings consisting of Ag quantum dots of the type already fabricated, we demonstrate that the molecular orbital picture breaks down even for lowest energy ionization processes, in contrast to ordinary molecules. Our ionization results yield a transition point between localization and delocalization regimes in good agreement with various experimental data.

Renormalization group contraction of tensor networks in three dimensions

NASA Astrophysics Data System (ADS)

García-Sáez, Artur; Latorre, José I.

2013-02-01

We present a new strategy for contracting tensor networks in arbitrary geometries. This method is designed to follow as strictly as possible the renormalization group philosophy, by first contracting tensors in an exact way and, then, performing a controlled truncation of the resulting tensor. We benchmark this approximation procedure in two dimensions against an exact contraction. We then apply the same idea to a three-dimensional quantum system. The underlying rational for emphasizing the exact coarse graining renormalization group step prior to truncation is related to monogamy of entanglement.

Almost-Quantum Correlations Violate the No-Restriction Hypothesis

NASA Astrophysics Data System (ADS)

Sainz, Ana Belén; Guryanova, Yelena; Acín, Antonio; Navascués, Miguel

2018-05-01

To identify which principles characterize quantum correlations, it is essential to understand in which sense this set of correlations differs from that of almost-quantum correlations. We solve this problem by invoking the so-called no-restriction hypothesis, an explicit and natural axiom in many reconstructions of quantum theory stating that the set of possible measurements is the dual of the set of states. We prove that, contrary to quantum correlations, no generalized probabilistic theory satisfying the no-restriction hypothesis is able to reproduce the set of almost-quantum correlations. Therefore, any theory whose correlations are exactly, or very close to, the almost-quantum correlations necessarily requires a rule limiting the possible measurements. Our results suggest that the no-restriction hypothesis may play a fundamental role in singling out the set of quantum correlations among other nonsignaling ones.

Almost-Quantum Correlations Violate the No-Restriction Hypothesis.

PubMed

Sainz, Ana Belén; Guryanova, Yelena; Acín, Antonio; Navascués, Miguel

2018-05-18

To identify which principles characterize quantum correlations, it is essential to understand in which sense this set of correlations differs from that of almost-quantum correlations. We solve this problem by invoking the so-called no-restriction hypothesis, an explicit and natural axiom in many reconstructions of quantum theory stating that the set of possible measurements is the dual of the set of states. We prove that, contrary to quantum correlations, no generalized probabilistic theory satisfying the no-restriction hypothesis is able to reproduce the set of almost-quantum correlations. Therefore, any theory whose correlations are exactly, or very close to, the almost-quantum correlations necessarily requires a rule limiting the possible measurements. Our results suggest that the no-restriction hypothesis may play a fundamental role in singling out the set of quantum correlations among other nonsignaling ones.

Static holes in the geometrically frustrated bow-tie ladder

NASA Astrophysics Data System (ADS)

Martins, George B.; Brenig, Wolfram

2008-10-01

We investigate the doping of a geometrically frustrated spin ladder with static holes by a complementary approach using exact diagonalization and quantum dimers. Results for thermodynamic properties, the singlet density of states, the hole-binding energy and the spin correlations will be presented. For the undoped systems the ground state is non-degenerate, with translationally invariant nearest-neighbor spin correlations. For the doped case, we find that static holes polarize their vicinity through a localization of singlets, reducing the frustration. This polarization induces short range repulsive forces between two holes and an oscillatory behavior of the long range two-hole energy. For most quantities investigated, we find very good agreement between the quantum dimer approach and the results from exact diagonalization.

Recovery time in quantum dynamics of wave packets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strekalov, M. L., E-mail: strekalov@kinetics.nsc.ru

2017-01-15

A wave packet formed by a linear superposition of bound states with an arbitrary energy spectrum returns arbitrarily close to the initial state after a quite long time. A method in which quantum recovery times are calculated exactly is developed. In particular, an exact analytic expression is derived for the recovery time in the limiting case of a two-level system. In the general case, the reciprocal recovery time is proportional to the Gauss distribution that depends on two parameters (mean value and variance of the return probability). The dependence of the recovery time on the mean excitation level of themore » system is established. The recovery time is the longest for the maximal excitation level.« less

Toward precise site-controlling of self-assembled Ge quantum dots on Si microdisks.

PubMed

Wang, Shuguang; Zhang, Ningning; Chen, Peizong; Wang, Liming; Yang, Xinju; Jiang, Zuimin; Zhong, Zhenyang

2018-08-24

A feasible route is developed toward precise site-controlling of quantum dots (QDs) at the microdisk periphery, where most microdisk cavity modes are located. The preferential growth of self-assembled Ge QDs at the periphery of Si microdisks is discovered. Moreover, both the height and linear density of Ge QDs can be controlled by tuning the amount of deposited Ge and the microdisk size. The inherent mechanisms of these unique features are discussed, taking into account both the growth kinetics and thermodynamics. By growing Ge on the innovative Si microdisks with small protrusions at the disk periphery, the positioning of Ge QDs at the periphery can be exactly predetermined. Such a precise site-controlling of Ge QDs at the periphery enables the location of the QD right at the field antinodes of the cavity mode of the Si microdisk, thereby achieving spatial matching between QD and cavity mode. These results open a promising door to realize the semiconductor QD-microdisk systems with both spectral and spatial matching between QDs and microdisk cavity modes, which will be the promising candidates for exploring the fundamental features of cavity quantum electrodynamics and the innovative optoelectronic devices based on strong light-matter interaction.

Resonance and decay phenomena lead to quantum mechanical time asymmetry

NASA Astrophysics Data System (ADS)

Bohm, A.; Bui, H. V.

2013-04-01

The states (Schrödinger picture) and observables (Heisenberg picture) in the standard quantum theory evolve symmetrically in time, given by the unitary group with time extending over -∞ < t < +∞. This time evolution is a mathematical consequence of the Hilbert space boundary condition for the dynamical differential equations. However, this unitary group evolution violates causality. Moreover, it does not solve an old puzzle of Wigner: How does one describe excited states of atoms which decay exponentially, and how is their lifetime τ related to the Lorentzian width Γ? These question can be answered if one replaces the Hilbert space boundary condition by new, Hardy space boundary conditions. These Hardy space boundary conditions allow for a distinction between states (prepared by a preparation apparatus) and observables (detected by a registration apparatus). The new Hardy space quantum theory is time asymmetric, i.e, the time evolution is given by the semigroup with t0 <= t < +∞, which predicts a finite "beginning of time" t0, where t0 is the ensemble of time at which each individual system has been prepared. The Hardy space axiom also leads to the new prediction: the width Γ and the lifetime τ are exactly related by τ = hslash/Γ.

Quantum Reactive Scattering of Ultracold K+KRb Reaction: Universality and Chaotic Dynamics

NASA Astrophysics Data System (ADS)

Croft, J. F. E.; Makrides, C.; Li, M.; Petrov, A.; Kendrick, B. K.; Balakrishnan, N.; Kotochigova, S.

2017-04-01

A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures lower than a few tens of nanoKelvin. In this talk, we discuss the benchmark ultracold reaction between, the most-celebrated ultracold molecule, KRb and K. We report numerically exact quantum-mechanical calculations of the K+KRb reaction on an accurate ab initio ground state potential energy surface of the K2Rb system and compare our results with available experimental data and predictions of universal models. The role of non-additive three-body contributions to the interaction potential is examined and is found to be small for the total reaction rates. However, the rotationally resolved rate coefficients are shown to be sensitive to the short-range interaction potential and follow a Poissonian distribution. This work was supported in part by NSF Grants PHY-1505557 (N.B.), PHY-1619788 (S.K.), ARO MURI Grant No. W911NF-12-1-0476 (N.B. & S.K.), and DOE LDRD Grant No. 20170221ER (B.K.).

Fundamental limits of repeaterless quantum communications

PubMed Central

Pirandola, Stefano; Laurenza, Riccardo; Ottaviani, Carlo; Banchi, Leonardo

2017-01-01

Quantum communications promises reliable transmission of quantum information, efficient distribution of entanglement and generation of completely secure keys. For all these tasks, we need to determine the optimal point-to-point rates that are achievable by two remote parties at the ends of a quantum channel, without restrictions on their local operations and classical communication, which can be unlimited and two-way. These two-way assisted capacities represent the ultimate rates that are reachable without quantum repeaters. Here, by constructing an upper bound based on the relative entropy of entanglement and devising a dimension-independent technique dubbed ‘teleportation stretching', we establish these capacities for many fundamental channels, namely bosonic lossy channels, quantum-limited amplifiers, dephasing and erasure channels in arbitrary dimension. In particular, we exactly determine the fundamental rate-loss tradeoff affecting any protocol of quantum key distribution. Our findings set the limits of point-to-point quantum communications and provide precise and general benchmarks for quantum repeaters. PMID:28443624

Fundamental limits of repeaterless quantum communications.

PubMed

Pirandola, Stefano; Laurenza, Riccardo; Ottaviani, Carlo; Banchi, Leonardo

2017-04-26

Quantum communications promises reliable transmission of quantum information, efficient distribution of entanglement and generation of completely secure keys. For all these tasks, we need to determine the optimal point-to-point rates that are achievable by two remote parties at the ends of a quantum channel, without restrictions on their local operations and classical communication, which can be unlimited and two-way. These two-way assisted capacities represent the ultimate rates that are reachable without quantum repeaters. Here, by constructing an upper bound based on the relative entropy of entanglement and devising a dimension-independent technique dubbed 'teleportation stretching', we establish these capacities for many fundamental channels, namely bosonic lossy channels, quantum-limited amplifiers, dephasing and erasure channels in arbitrary dimension. In particular, we exactly determine the fundamental rate-loss tradeoff affecting any protocol of quantum key distribution. Our findings set the limits of point-to-point quantum communications and provide precise and general benchmarks for quantum repeaters.

Quantum preservation of the measurements precision using ultra-short strong pulses in exact analytical solution

NASA Astrophysics Data System (ADS)

Berrada, K.; Eleuch, H.

2017-09-01

Various schemes have been proposed to improve the parameter-estimation precision. In the present work, we suggest an alternative method to preserve the estimation precision by considering a model that closely describes a realistic experimental scenario. We explore this active way to control and enhance the measurements precision for a two-level quantum system interacting with classical electromagnetic field using ultra-short strong pulses with an exact analytical solution, i.e. beyond the rotating wave approximation. In particular, we investigate the variation of the precision with a few cycles pulse and a smooth phase jump over a finite time interval. We show that by acting on the shape of the phase transient and other parameters of the considered system, the amount of information may be increased and has smaller decay rate in the long time. These features make two-level systems incorporated in ultra-short, of-resonant and gradually changing phase good candidates for implementation of schemes for the quantum computation and the coherent information processing.

Dissipation in adiabatic quantum computers: lessons from an exactly solvable model

NASA Astrophysics Data System (ADS)

Keck, Maximilian; Montangero, Simone; Santoro, Giuseppe E.; Fazio, Rosario; Rossini, Davide

2017-11-01

We introduce and study the adiabatic dynamics of free-fermion models subject to a local Lindblad bath and in the presence of a time-dependent Hamiltonian. The merit of these models is that they can be solved exactly, and will help us to study the interplay between nonadiabatic transitions and dissipation in many-body quantum systems. After the adiabatic evolution, we evaluate the excess energy (the average value of the Hamiltonian) as a measure of the deviation from reaching the final target ground state. We compute the excess energy in a variety of different situations, where the nature of the bath and the Hamiltonian is modified. We find robust evidence of the fact that an optimal working time for the quantum annealing protocol emerges as a result of the competition between the nonadiabatic effects and the dissipative processes. We compare these results with the matrix-product-operator simulations of an Ising system and show that the phenomenology we found also applies for this more realistic case.

Atomic structure and stoichiometry of In(Ga)As/GaAs quantum dots grown on an exact-oriented GaP/Si(001) substrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schulze, C. S.; Prohl, C.; Füllert, V.

2016-04-04

The atomic structure and stoichiometry of InAs/InGaAs quantum-dot-in-a-well structures grown on exactly oriented GaP/Si(001) are revealed by cross-sectional scanning tunneling microscopy. An averaged lateral size of 20 nm, heights up to 8 nm, and an In concentration of up to 100% are determined, being quite similar compared with the well-known quantum dots grown on GaAs substrates. Photoluminescence spectra taken from nanostructures of side-by-side grown samples on GaP/Si(001) and GaAs(001) show slightly blue shifted ground-state emission wavelength for growth on GaP/Si(001) with an even higher peak intensity compared with those on GaAs(001). This demonstrates the high potential of GaP/Si(001) templates for integration ofmore » III-V optoelectronic components into silicon-based technology.« less

Thermodynamics of a dilute XX chain in a field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timonin, P. N., E-mail: pntim@live.ru

Gapless phases in ground states of low-dimensional quantum spin systems are rather ubiquitous. Their peculiarity is a remarkable sensitivity to external perturbations due to permanent criticality of such phases manifested by a slow (power-low) decay of pair correlations and the divergence of the corresponding susceptibility. A strong influence of various defects on the properties of the system in such a phase can then be expected. Here, we consider the influence of vacancies on the thermodynamics of the simplest quantum model with a gapless phase, the isotropic spin-1/2 XX chain. The existence of the exact solution of this model gives amore » unique opportunity to describe in detail the dramatic effect of dilution on the gapless phase—the appearance of an infinite series of quantum phase transitions resulting from level crossing under the variation of a longitudinal magnetic field. We calculate the jumps in the field dependences of the ground-state longitudinal magnetization, susceptibility, entropy, and specific heat appearing at these transitions and show that they result in a highly nonlinear temperature dependence of these parameters at low T. Also, the effect of enhancement of the magnetization and longitudinal correlations in the dilute chain is established. The changes of the pair spin correlators under dilution are also analyzed. The universality of the mechanism of the quantum transition generation suggests that similar effects of dilution can also be expected in gapless phases of other low-dimensional quantum spin systems.« less

Influence of Surface Roughness on Strong Light-Matter Interaction of a Quantum Emitter-Metallic Nanoparticle System.

PubMed

Lu, Yu-Wei; Li, Ling-Yan; Liu, Jing-Feng

2018-05-08

We investigate the quantum optical properties of strong light-matter interaction between a quantum emitter and a metallic nanoparticle beyond idealized structures with a smooth surface. Based on the local coupling strength and macroscopic Green's function, we derived an exact quantum optics approach to obtain the field enhancement and light-emission spectrum of a quantum emitter. Numerical simulations show that the surface roughness has a greater effect on the near-field than on the far-field, and slightly increases the vacuum Rabi splitting on average. Further, we verified that the near-field enhancement is mainly determined by the surface features of hot-spot area.

Quasibound states in a triple Gaussian potential

NASA Astrophysics Data System (ADS)

Reichl, L. E.; Porter, Max D.

2018-04-01

We derive the transmission probabilities and delay times, and identify quasibound state structures in an open quantum system consisting of three Gaussian potential energy peaks, a system whose classical scattering dynamics we show to be chaotic. Such open quantum systems can serve as models for nanoscale quantum devices and their wave dynamics are similar to electromagnetic wave dynamics in optical microcavities. We use a quantum web to determine energy regimes for which the system exhibits the quantum manifestations of chaos, and we show that the classical scattering dynamics contains a significant amount of chaos. We also derive an exact expression for the non-Hermitian Hamiltonian whose eigenvalues give quasibound state energies and lifetimes of the system.

Bianchi class A models in Sàez-Ballester's theory

NASA Astrophysics Data System (ADS)

Socorro, J.; Espinoza-García, Abraham

2012-08-01

We apply the Sàez-Ballester (SB) theory to Bianchi class A models, with a barotropic perfect fluid in a stiff matter epoch. We obtain exact classical solutions à la Hamilton for Bianchi type I, II and VIh=-1 models. We also find exact quantum solutions to all Bianchi Class A models employing a particular ansatz for the wave function of the universe.

Quantum Brownian motion under generalized position measurements: a converse Zeno scenario

NASA Astrophysics Data System (ADS)

Magazzù, Luca; Talkner, Peter; Hänggi, Peter

2018-03-01

We study the quantum Brownian motion of a harmonic oscillator undergoing a sequence of generalized position measurements. Our exact analytical results capture the interplay of the measurement backaction and dissipation. Here we demonstrate that no freeze-in Zeno effect occurs upon increasing the monitoring frequency. A similar behavior is also found in the presence of generalized momentum measurements.

Generalized Gibbs state with modified Redfield solution: Exact agreement up to second order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thingna, Juzar; Wang, Jian-Sheng; Haenggi, Peter

A novel scheme for the steady state solution of the standard Redfield quantum master equation is developed which yields agreement with the exact result for the corresponding reduced density matrix up to second order in the system-bath coupling strength. We achieve this objective by use of an analytic continuation of the off-diagonal matrix elements of the Redfield solution towards its diagonal limit. Notably, our scheme does not require the provision of yet higher order relaxation tensors. Testing this modified method for a heat bath consisting of a collection of harmonic oscillators we assess that the system relaxes towards its correctmore » coupling-dependent, generalized quantum Gibbs state in second order. We numerically compare our formulation for a damped quantum harmonic system with the nonequilibrium Green's function formalism: we find good agreement at low temperatures for coupling strengths that are even larger than expected from the very regime of validity of the second-order Redfield quantum master equation. Yet another advantage of our method is that it markedly reduces the numerical complexity of the problem; thus, allowing to study efficiently large-sized system Hilbert spaces.« less

Quantum image coding with a reference-frame-independent scheme

NASA Astrophysics Data System (ADS)

Chapeau-Blondeau, François; Belin, Etienne

2016-07-01

For binary images, or bit planes of non-binary images, we investigate the possibility of a quantum coding decodable by a receiver in the absence of reference frames shared with the emitter. Direct image coding with one qubit per pixel and non-aligned frames leads to decoding errors equivalent to a quantum bit-flip noise increasing with the misalignment. We show the feasibility of frame-invariant coding by using for each pixel a qubit pair prepared in one of two controlled entangled states. With just one common axis shared between the emitter and receiver, exact decoding for each pixel can be obtained by means of two two-outcome projective measurements operating separately on each qubit of the pair. With strictly no alignment information between the emitter and receiver, exact decoding can be obtained by means of a two-outcome projective measurement operating jointly on the qubit pair. In addition, the frame-invariant coding is shown much more resistant to quantum bit-flip noise compared to the direct non-invariant coding. For a cost per pixel of two (entangled) qubits instead of one, complete frame-invariant image coding and enhanced noise resistance are thus obtained.

Unified semiclassical theory for the two-state system: an analytical solution for general nonadiabatic tunneling.

PubMed

Zhu, Chaoyuan; Lin, Sheng Hsien

2006-07-28

Unified semiclasical solution for general nonadiabatic tunneling between two adiabatic potential energy surfaces is established by employing unified semiclassical solution for pure nonadiabatic transition [C. Zhu, J. Chem. Phys. 105, 4159 (1996)] with the certain symmetry transformation. This symmetry comes from a detailed analysis of the reduced scattering matrix for Landau-Zener type of crossing as a special case of nonadiabatic transition and nonadiabatic tunneling. Traditional classification of crossing and noncrossing types of nonadiabatic transition can be quantitatively defined by the rotation angle of adiabatic-to-diabatic transformation, and this rotational angle enters the analytical solution for general nonadiabatic tunneling. The certain two-state exponential potential models are employed for numerical tests, and the calculations from the present general nonadiabatic tunneling formula are demonstrated in very good agreement with the results from exact quantum mechanical calculations. The present general nonadiabatic tunneling formula can be incorporated with various mixed quantum-classical methods for modeling electronically nonadiabatic processes in photochemistry.

Quantum uncertainty switches on or off the error-disturbance tradeoff

NASA Astrophysics Data System (ADS)

Zhang, Yu-Xiang; Su, Zu-En; Zhu, Xuanmin; Wu, Shengjun; Chen, Zeng-Bing

2016-06-01

The indeterminacy of quantum mechanics was originally presented by Heisenberg through the tradeoff between the measuring error of the observable A and the consequential disturbance to the value of another observable B. This tradeoff now has become a popular interpretation of the uncertainty principle. However, the historic idea has never been exactly formulated previously and is recently called into question. A theory built upon operational and state-relevant definitions of error and disturbance is called for to rigorously reexamine the relationship. Here by putting forward such natural definitions, we demonstrate both theoretically and experimentally that there is no tradeoff if the outcome of measuring B is more uncertain than that of A. Otherwise, the tradeoff will be switched on and well characterized by the Jensen-Shannon divergence. Our results reveal the hidden effect of the uncertain nature possessed by the measured state, and conclude that the state-relevant relation between error and disturbance is not almosteverywhere a tradeoff as people usually believe.

Quantum origin of the primordial fluctuation spectrum and its statistics

NASA Astrophysics Data System (ADS)

Landau, Susana; León, Gabriel; Sudarsky, Daniel

2013-07-01

The usual account for the origin of cosmic structure during inflation is not fully satisfactory, as it lacks a physical mechanism capable of generating the inhomogeneity and anisotropy of our Universe, from an exactly homogeneous and isotropic initial state associated with the early inflationary regime. The proposal in [A. Perez, H. Sahlmann, and D. Sudarsky, Classical Quantum Gravity 23, 2317 (2006)] considers the spontaneous dynamical collapse of the wave function as a possible answer to that problem. In this work, we review briefly the difficulties facing the standard approach, as well as the answers provided by the above proposal and explore their relevance to the investigations concerning the characterization of the primordial spectrum and other statistical aspects of the cosmic microwave background and large-scale matter distribution. We will see that the new approach leads to novel ways of considering some of the relevant questions, and, in particular, to distinct characterizations of the non-Gaussianities that might have left imprints on the available data.

What can we learn from the dynamics of entanglement and quantum discord in the Tavis-Cummings model?

NASA Astrophysics Data System (ADS)

Restrepo, Juliana; Rodriguez, Boris A.

We revisit the problem of the dynamics of quantum correlations in the exact Tavis-Cummings model. We show that many of the dynamical features of quantum discord attributed to dissipation are already present in the exact framework and are due to the well known non-linearities in the model and to the choice of initial conditions. Through a comprehensive analysis, supported by explicit analytical calculations, we find that the dynamics of entanglement and quantum discord are far from being trivial or intuitive. In this context, we find states that are indistinguishable from the point of view of entanglement and distinguishable from the point of view of quantum discord, states where the two quantifiers give opposite information and states where they give roughly the same information about correlations at a certain time. Depending on the initial conditions, this model exhibits a fascinating range of phenomena that can be used for experimental purposes such as: Robust states against change of manifold or dissipation, tunable entanglement states and states with a counterintuitive sudden birth as the number of photons increase. We furthermore propose an experiment called quantum discord gates where discord is zero or non-zero depending on the number of photons. This work was supported by the Vicerrectoria de Investigacion of the Universidad Antonio Narino, Colombia under Project Number 20141031 and by the Departamento Administrativo de Ciencia, Tecnologia e Innovacion (COLCIENCIAS) of Colombia under Grant Number.

Interest rates in quantum finance: the Wilson expansion and Hamiltonian.

PubMed

Baaquie, Belal E

2009-10-01

Interest rate instruments form a major component of the capital markets. The Libor market model (LMM) is the finance industry standard interest rate model for both Libor and Euribor, which are the most important interest rates. The quantum finance formulation of the Libor market model is given in this paper and leads to a key generalization: all the Libors, for different future times, are imperfectly correlated. A key difference between a forward interest rate model and the LMM lies in the fact that the LMM is calibrated directly from the observed market interest rates. The short distance Wilson expansion [Phys. Rev. 179, 1499 (1969)] of a Gaussian quantum field is shown to provide the generalization of Ito calculus; in particular, the Wilson expansion of the Gaussian quantum field A(t,x) driving the Libors yields a derivation of the Libor drift term that incorporates imperfect correlations of the different Libors. The logarithm of Libor phi(t,x) is defined and provides an efficient and compact representation of the quantum field theory of the Libor market model. The Lagrangian and Feynman path integrals of the Libor market model of interest rates are obtained, as well as a derivation given by its Hamiltonian. The Hamiltonian formulation of the martingale condition provides an exact solution for the nonlinear drift of the Libor market model. The quantum finance formulation of the LMM is shown to reduce to the industry standard Bruce-Gatarek-Musiela-Jamshidian model when the forward interest rates are taken to be exactly correlated.

The Development of Rigorously Correct, Dynamical Pseudopotentials for Use in Mixed Quantum/Classical Molecular Dynamics Simulations in the Condensed Phase

NASA Astrophysics Data System (ADS)

Kahros, Argyris

Incorporating quantum mechanics into an atomistic simulation necessarily involves solving the Schrodinger equation. Unfortunately, the computational expense associated with solving this equation scales miserably with the number of included quantum degrees of freedom (DOF). The situation is so dire, in fact, that a molecular dynamics (MD) simulation cannot include more than a small number of quantum DOFs before it becomes computationally intractable. Thus, if one were to simulate a relatively large system, such as one containing several hundred atoms or molecules, it would be unreasonable to attempt to include the effects of all of the electrons associated with all of the components of the system. The mixed quantum/classical (MQC) approach provides a way to circumvent this issue. It involves treating the vast majority of the system classically, which incurs minimal computational expense, and reserves the consideration of quantum mechanical effects for only the few degrees of freedom more directly involved in the chemical phenomenon being studied. For example, if one were to study the bonding of a single diatomic molecule in the gas phase, one could employ a MQC approach by treating the nuclei of the molecule's two atoms classically---including the deeply bound, low-energy electrons that change relatively little---and solving the Schrodinger equation only for the high energy electron(s) directly involved in the bonding of the classical cores. In such a way, one could study the bonding of this molecule in a rigorous fashion while treating only the directly related degrees of freedom quantum mechanically. Pseudopotentials are then responsible for dictating the interactions between the quantum and classical degrees of freedom. As these potentials are the sole link between the quantum and classical DOFs, their proper development is of the utmost importance. This Thesis is concerned primarily with my work on the development of novel, rigorous and dynamical pseudopotentials for use in mixed quantum/ classical simulations in the condensed phase. The pseudopotentials discussed within are constructed in an ab initio fashion, without the introduction of any empiricism, and are able to exactly reproduce the results of higher level, fully quantum mechanical Hartree-Fock calculations. A recurring theme in the following pages is overcoming the so-called frozen core approximation (FCA). This essentially comes down to creating pseudopotentials that are able to respond in some way to the local molecular environment in a rigorous fashion. The various methods and discussions that are part of this document are presented in the context of two particular systems. The first is the sodium dimer cation molecule, which serves as a proof of concept for the development of coordinate-dependent pseudopotentials and is the subject of Chapters 2 and 3. Next, the hydrated electron---the excess electron in liquid water---is tackled in an effort to address the recent controversy concerning its true structure and is the subject of Chapters 4 and 5. In essence, the work in this Dissertation is concerned with finding new ways to overcome the problem of a lack of infinite computer processing power.

Magnon-induced non-Markovian friction of a domain wall in a ferromagnet

NASA Astrophysics Data System (ADS)

Kim, Se Kwon; Tchernyshyov, Oleg; Galitski, Victor; Tserkovnyak, Yaroslav

2018-05-01

Motivated by the recent study on the quasiparticle-induced friction of solitons in superfluids, we theoretically study magnon-induced intrinsic friction of a domain wall in a one-dimensional ferromagnet. To this end, we start by obtaining the hitherto overlooked dissipative interaction of a domain wall and its quantum magnon bath to linear order in the domain-wall velocity and to quadratic order in magnon fields. An exact expression for the pertinent scattering matrix is obtained with the aid of supersymmetric quantum mechanics. We then derive the magnon-induced frictional force on a domain wall in two different frameworks: time-dependent perturbation theory in quantum mechanics and the Keldysh formalism, which yield identical results. The latter, in particular, allows us to verify the fluctuation-dissipation theorem explicitly by providing both the frictional force and the correlator of the associated stochastic Langevin force. The potential for magnons induced by a domain wall is reflectionless, and thus the resultant frictional force is non-Markovian similar to the case of solitons in superfluids. They share an intriguing connection to the Abraham-Lorentz force that is well known for its causality paradox. The dynamical responses of a domain wall are studied under a few simple circumstances, where the non-Markovian nature of the frictional force can be probed experimentally. Our work, in conjunction with the previous study on solitons in superfluids, shows that the macroscopic frictional force on solitons can serve as an effective probe of the microscopic degrees of freedom of the system.

ERRATUM: Papers published in incorrect sections

NASA Astrophysics Data System (ADS)

2004-04-01

A number of J. Phys. A: Math. Gen. articles have mistakenly been placed in the wrong subject section in recent issues of the journal. We would like to apologize to the authors of these articles for publishing their papers in the Fluid and Plasma Theory section. The correct section for each article is given below. Statistical Physics Issue 4: Microcanonical entropy for small magnetizations Behringer H 2004 J. Phys. A: Math. Gen. 37 1443 Mathematical Physics Issue 9: On the solution of fractional evolution equations Kilbas A A, Pierantozzi T, Trujillo J J and Vázquez L 2004 J. Phys. A: Math. Gen. 37 3271 Quantum Mechanics and Quantum Information Theory Issue 6: New exactly solvable isospectral partners for PT-symmetric potentials Sinha A and Roy P 2004 J. Phys. A: Math. Gen. 37 2509 Issue 9: Symplectically entangled states and their applications to coding Vourdas A 2004 J. Phys. A: Math. Gen. 37 3305 Classical and Quantum Field Theory Issue 6: Pairing of parafermions of order 2: seniority model Nelson C A 2004 J. Phys. A: Math. Gen. 37 2497 Issue 7: Jordan-Schwinger map, 3D harmonic oscillator constants of motion, and classical and quantum parameters characterizing electromagnetic wave polarization Mota R D, Xicoténcatl M A and Granados V D 2004 J. Phys. A: Math. Gen. 37 2835 Issue 9: Could only fermions be elementary? Lev F M 2004 J. Phys. A: Math. Gen. 37 3285

An analytical derivation of MC-SCF vibrational wave functions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains

NASA Astrophysics Data System (ADS)

Drukker, Karen; Hammes-Schiffer, Sharon

1997-07-01

This paper presents an analytical derivation of a multiconfigurational self-consistent-field (MC-SCF) solution of the time-independent Schrödinger equation for nuclear motion (i.e. vibrational modes). This variational MC-SCF method is designed for the mixed quantum/classical molecular dynamics simulation of multiple proton transfer reactions, where the transferring protons are treated quantum mechanically while the remaining degrees of freedom are treated classically. This paper presents a proof that the Hellmann-Feynman forces on the classical degrees of freedom are identical to the exact forces (i.e. the Pulay corrections vanish) when this MC-SCF method is used with an appropriate choice of basis functions. This new MC-SCF method is applied to multiple proton transfer in a protonated chain of three hydrogen-bonded water molecules. The ground state and the first three excited state energies and the ground state forces agree well with full configuration interaction calculations. Sample trajectories are obtained using adiabatic molecular dynamics methods, and nonadiabatic effects are found to be insignificant for these sample trajectories. The accuracy of the excited states will enable this MC-SCF method to be used in conjunction with nonadiabatic molecular dynamics methods. This application differs from previous work in that it is a real-time quantum dynamical nonequilibrium simulation of multiple proton transfer in a chain of water molecules.

Symmetry restoration and quantumness reestablishment.

PubMed

Zeng, Guo-Mo; Wu, Lian-Ao; Xing, Hai-Jun

2014-09-18

A realistic quantum many-body system, characterized by a generic microscopic Hamiltonian, is accessible only through approximation methods. The mean field theories, as the simplest practices of approximation methods, commonly serve as a powerful tool, but unfortunately often violate the symmetry of the Hamiltonian. The conventional BCS theory, as an excellent mean field approach, violates the particle number conservation and completely erases quantumness characterized by concurrence and quantum discord between different modes. We restore the symmetry by using the projected BCS theory and the exact numerical solution and find that the lost quantumness is synchronously reestablished. We show that while entanglement remains unchanged with the particle numbers, quantum discord behaves as an extensive quantity with respect to the system size. Surprisingly, discord is hardly dependent on the interaction strengths. The new feature of discord offers promising applications in modern quantum technologies.

Characterizing and quantifying frustration in quantum many-body systems.

PubMed

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

2011-12-23

We present a general scheme for the study of frustration in quantum systems. We introduce a universal measure of frustration for arbitrary quantum systems and we relate it to a class of entanglement monotones via an exact inequality. If all the (pure) ground states of a given Hamiltonian saturate the inequality, then the system is said to be inequality saturating. We introduce sufficient conditions for a quantum spin system to be inequality saturating and confirm them with extensive numerical tests. These conditions provide a generalization to the quantum domain of the Toulouse criteria for classical frustration-free systems. The models satisfying these conditions can be reasonably identified as geometrically unfrustrated and subject to frustration of purely quantum origin. Our results therefore establish a unified framework for studying the intertwining of geometric and quantum contributions to frustration.

Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.

PubMed

Tempel, David G; Aspuru-Guzik, Alán

2012-01-01

We prove that the theorems of TDDFT can be extended to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used as the basic variables in quantum computation and information theory, rather than wavefunctions. From a practical standpoint this opens the possibility of approximating observables of interest in quantum computations directly in terms of single-qubit quantities (i.e. as density functionals). Additionally, we also demonstrate that TDDFT provides an exact prescription for simulating universal Hamiltonians with other universal Hamiltonians that have different, and possibly easier-to-realize two-qubit interactions. This establishes the foundations of TDDFT for quantum computation and opens the possibility of developing density functionals for use in quantum algorithms.

Fate of classical solitons in one-dimensional quantum systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pustilnik, M.; Matveev, K. A.

We study one-dimensional quantum systems near the classical limit described by the Korteweg-de Vries (KdV) equation. The excitations near this limit are the well-known solitons and phonons. The classical description breaks down at long wavelengths, where quantum effects become dominant. Focusing on the spectra of the elementary excitations, we describe analytically the entire classical-to-quantum crossover. We show that the ultimate quantum fate of the classical KdV excitations is to become fermionic quasiparticles and quasiholes. We discuss in detail two exactly solvable models exhibiting such crossover, the Lieb-Liniger model of bosons with weak contact repulsion and the quantum Toda model, andmore » argue that the results obtained for these models are universally applicable to all quantum one-dimensional systems with a well-defined classical limit described by the KdV equation.« less

Further perspective on the theory of heteronuclear decoupling.

PubMed

Skinner, Thomas E

2014-11-01

An exact general theory of heteronuclear decoupling is presented for spin-1/2 IS systems. RF irradiation applied to the I spins both modifies and generates additional couplings between states of the system. The recently derived equivalence between the dynamics of any N-level quantum system and a system of classical coupled harmonic oscillators makes explicit the exact physical couplings between states. Decoupling is thus more properly viewed as a complex intercoupling. The sign of antiphase magnetization plays a fundamental role in decoupling. A one-to-one correspondence is demonstrated between ±2SyIz and the sense of the S-spin coupling evolution. Magnetization Sx is refocused to obtain the desired decoupled state when ∫2SyIzdt=0. The exact instantaneous coupling at any time during the decoupling sequence is readily obtained in terms of the system states, showing that the creation of two-spin coherence is crucial for reducing the effective scalar coupling, as required for refocusing to occur. Representative examples from new aperiodic sequences as well as standard cyclic, periodic composite-pulse and adiabatic decoupling sequences illustrate the decoupling mechanism. The more general aperiodic sequences, obtained using optimal control, realize the potential inherent in the theory for significantly improved decoupling. Copyright © 2014 Elsevier Inc. All rights reserved.

Two statistical mechanics aspects of complex networks

NASA Astrophysics Data System (ADS)

Thurner, Stefan; Biely, Christoly

2006-12-01

By adopting an ensemble interpretation of non-growing rewiring networks, network theory can be reduced to a counting problem of possible network states and an identification of their associated probabilities. We present two scenarios of how different rewirement schemes can be used to control the state probabilities of the system. In particular, we review how by generalizing the linking rules of random graphs, in combination with superstatistics and quantum mechanical concepts, one can establish an exact relation between the degree distribution of any given network and the nodes’ linking probability distributions. In a second approach, we control state probabilities by a network Hamiltonian, whose characteristics are motivated by biological and socio-economical statistical systems. We demonstrate that a thermodynamics of networks becomes a fully consistent concept, allowing to study e.g. ‘phase transitions’ and computing entropies through thermodynamic relations.

Qiang-Dong proper quantization rule and its applications to exactly solvable quantum systems

NASA Astrophysics Data System (ADS)

Serrano, F. A.; Gu, Xiao-Yan; Dong, Shi-Hai

2010-08-01

We propose proper quantization rule, ∫x_Ax_B k(x)dx-∫x0Ax0Bk0(x)dx=nπ, where k(x )=√2M[E -V(x)] /ℏ. The xA and xB are two turning points determined by E =V(x), and n is the number of the nodes of wave function ψ(x ). We carry out the exact solutions of solvable quantum systems by this rule and find that the energy spectra of solvable systems can be determined only from its ground state energy. The previous complicated and tedious integral calculations involved in exact quantization rule are greatly simplified. The beauty and simplicity of the rule come from its meaning—whenever the number of the nodes of ϕ(x ) or the number of the nodes of the wave function ψ(x ) increases by 1, the momentum integral ∫xAxBk(x )dx will increase by π. We apply this proper quantization rule to carry out solvable quantum systems such as the one-dimensional harmonic oscillator, the Morse potential and its generalization, the Hulthén potential, the Scarf II potential, the asymmetric trigonometric Rosen-Morse potential, the Pöschl-Teller type potentials, the Rosen-Morse potential, the Eckart potential, the harmonic oscillator in three dimensions, the hydrogen atom, and the Manning-Rosen potential in D dimensions.

Defects in Quantum Computers

DOE PAGES

Gardas, Bartłomiej; Dziarmaga, Jacek; Zurek, Wojciech H.; ...

2018-03-14

The shift of interest from general purpose quantum computers to adiabatic quantum computing or quantum annealing calls for a broadly applicable and easy to implement test to assess how quantum or adiabatic is a specific hardware. Here we propose such a test based on an exactly solvable many body system–the quantum Ising chain in transverse field–and implement it on the D-Wave machine. An ideal adiabatic quench of the quantum Ising chain should lead to an ordered broken symmetry ground state with all spins aligned in the same direction. An actual quench can be imperfect due to decoherence, noise, flaws inmore » the implemented Hamiltonian, or simply too fast to be adiabatic. Imperfections result in topological defects: Spins change orientation, kinks punctuating ordered sections of the chain. Therefore, the number of such defects quantifies the extent by which the quantum computer misses the ground state, and is imperfect.« less

Revealing missing charges with generalised quantum fluctuation relations.

PubMed

Mur-Petit, J; Relaño, A; Molina, R A; Jaksch, D

2018-05-22

The non-equilibrium dynamics of quantum many-body systems is one of the most fascinating problems in physics. Open questions range from how they relax to equilibrium to how to extract useful work from them. A critical point lies in assessing whether a system has conserved quantities (or 'charges'), as these can drastically influence its dynamics. Here we propose a general protocol to reveal the existence of charges based on a set of exact relations between out-of-equilibrium fluctuations and equilibrium properties of a quantum system. We apply these generalised quantum fluctuation relations to a driven quantum simulator, demonstrating their relevance to obtain unbiased temperature estimates from non-equilibrium measurements. Our findings will help guide research on the interplay of quantum and thermal fluctuations in quantum simulation, in studying the transition from integrability to chaos and in the design of new quantum devices.

Defects in Quantum Computers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gardas, Bartłomiej; Dziarmaga, Jacek; Zurek, Wojciech H.

The shift of interest from general purpose quantum computers to adiabatic quantum computing or quantum annealing calls for a broadly applicable and easy to implement test to assess how quantum or adiabatic is a specific hardware. Here we propose such a test based on an exactly solvable many body system–the quantum Ising chain in transverse field–and implement it on the D-Wave machine. An ideal adiabatic quench of the quantum Ising chain should lead to an ordered broken symmetry ground state with all spins aligned in the same direction. An actual quench can be imperfect due to decoherence, noise, flaws inmore » the implemented Hamiltonian, or simply too fast to be adiabatic. Imperfections result in topological defects: Spins change orientation, kinks punctuating ordered sections of the chain. Therefore, the number of such defects quantifies the extent by which the quantum computer misses the ground state, and is imperfect.« less

Coined quantum walks on weighted graphs

NASA Astrophysics Data System (ADS)

Wong, Thomas G.

2017-11-01

We define a discrete-time, coined quantum walk on weighted graphs that is inspired by Szegedy’s quantum walk. Using this, we prove that many lackadaisical quantum walks, where each vertex has l integer self-loops, can be generalized to a quantum walk where each vertex has a single self-loop of real-valued weight l. We apply this real-valued lackadaisical quantum walk to two problems. First, we analyze it on the line or one-dimensional lattice, showing that it is exactly equivalent to a continuous deformation of the three-state Grover walk with faster ballistic dispersion. Second, we generalize Grover’s algorithm, or search on the complete graph, to have a weighted self-loop at each vertex, yielding an improved success probability when l < 3 + 2\\sqrt{2} ≈ 5.828 .

Towards quantum chemistry on a quantum computer.

PubMed

Lanyon, B P; Whitfield, J D; Gillett, G G; Goggin, M E; Almeida, M P; Kassal, I; Biamonte, J D; Mohseni, M; Powell, B J; Barbieri, M; Aspuru-Guzik, A; White, A G

2010-02-01

Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.

The fourth age of quantum chemistry: molecules in motion.

PubMed

Császár, Attila G; Fábri, Csaba; Szidarovszky, Tamás; Mátyus, Edit; Furtenbacher, Tibor; Czakó, Gábor

2012-01-21

Developments during the last two decades in nuclear motion theory made it possible to obtain variational solutions to the time-independent, nuclear-motion Schrödinger equation of polyatomic systems as "exact" as the potential energy surface (PES) is. Nuclear motion theory thus reached a level whereby this branch of quantum chemistry started to catch up with the well developed and widely applied other branch, electronic structure theory. It seems to be fair to declare that we are now in the fourth age of quantum chemistry, where the first three ages are principally defined by developments in electronic structure techniques (G. Richards, Nature, 1979, 278, 507). In the fourth age we are able to incorporate into our quantum chemical treatment the motion of nuclei in an exact fashion and, for example, go beyond equilibrium molecular properties and compute accurate, temperature-dependent, effective properties, thus closing the gap between measurements and electronic structure computations. In this Perspective three fundamental algorithms for the variational solution of the time-independent nuclear-motion Schrödinger equation employing exact kinetic energy operators are presented: one based on tailor-made Hamiltonians, one on the Eckart-Watson Hamiltonian, and one on a general internal-coordinate Hamiltonian. It is argued that the most useful and most widely applicable procedure is the third one, based on a Hamiltonian containing a kinetic energy operator written in terms of internal coordinates and an arbitrary embedding of the body-fixed frame of the molecule. This Hamiltonian makes it feasible to treat the nuclear motions of arbitrary quantum systems, irrespective of whether they exhibit a single well-defined minimum or not, and of arbitrary reduced-dimensional models. As a result, molecular spectroscopy, an important field for the application of nuclear motion theory, has almost black-box-type tools at its disposal. Variational nuclear motion computations, based on an exact kinetic energy operator and an arbitrary PES, can now be performed for about 9 active vibrational degrees of freedom relatively straightforwardly. Simulations of high-resolution spectra allow the understanding of complete rotational-vibrational spectra up to and beyond the first dissociation limits. Variational results obtained for H(2)O, H, NH(3), CH(4), and H(2)CCO are used to demonstrate the power of the variational techniques for the description of vibrational and rotational excitations. Some qualitative features of the results are also discussed.

Continuous-time quantum walks on multilayer dendrimer networks

NASA Astrophysics Data System (ADS)

Galiceanu, Mircea; Strunz, Walter T.

2016-08-01

We consider continuous-time quantum walks (CTQWs) on multilayer dendrimer networks (MDs) and their application to quantum transport. A detailed study of properties of CTQWs is presented and transport efficiency is determined in terms of the exact and average return probabilities. The latter depends only on the eigenvalues of the connectivity matrix, which even for very large structures allows a complete analytical solution for this particular choice of network. In the case of MDs we observe an interplay between strong localization effects, due to the dendrimer topology, and good efficiency from the linear segments. We show that quantum transport is enhanced by interconnecting more layers of dendrimers.

Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

NASA Technical Reports Server (NTRS)

Akhundova, E. A.; Dodonov, V. V.; Manko, V. I.

1993-01-01

The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

A semi-inverse variational method for generating the bound state energy eigenvalues in a quantum system: the Dirac Coulomb type-equation

NASA Astrophysics Data System (ADS)

Libarir, K.; Zerarka, A.

2018-05-01

Exact eigenspectra and eigenfunctions of the Dirac quantum equation are established using the semi-inverse variational method. This method improves of a considerable manner the efficiency and accuracy of results compared with the other usual methods much argued in the literature. Some applications for different state configurations are proposed to concretize the method.

Exact solution of matricial Φ23 quantum field theory

NASA Astrophysics Data System (ADS)

Grosse, Harald; Sako, Akifumi; Wulkenhaar, Raimar

2017-12-01

We apply a recently developed method to exactly solve the Φ3 matrix model with covariance of a two-dimensional theory, also known as regularised Kontsevich model. Its correlation functions collectively describe graphs on a multi-punctured 2-sphere. We show how Ward-Takahashi identities and Schwinger-Dyson equations lead in a special large- N limit to integral equations that we solve exactly for all correlation functions. The solved model arises from noncommutative field theory in a special limit of strong deformation parameter. The limit defines ordinary 2D Schwinger functions which, however, do not satisfy reflection positivity.

Quantum lattice representations for vector solitons in external potentials

NASA Astrophysics Data System (ADS)

Vahala, George; Vahala, Linda; Yepez, Jeffrey

2006-03-01

A quantum lattice algorithm is developed to examine the effect of an external potential well on exactly integrable vector Manakov solitons. It is found that the exact solutions to the coupled nonlinear Schrodinger equations act like quasi-solitons in weak potentials, leading to mode-locking, trapping and untrapping. Stronger potential wells will lead to the emission of radiation modes from the quasi-soliton initial conditions. If the external potential is applied to that particular mode polarization, then the radiation will be trapped within the potential well. The algorithm developed leads to a finite difference scheme that is unconditionally stable. The Manakov system in an external potential is very closely related to the Gross-Pitaevskii equation for the ground state wave functions of a coupled BEC state at T=0 K.

Ultrastable light sources in the crossover from superradiance to lasing

NASA Astrophysics Data System (ADS)

Xu, Minghui; Tieri, David; Holland, Murray

2013-05-01

We theoretically investigate the crossover from steady-state superradiance to optical lasing. An exact solution of the quantum master equation is difficult to obtain due to the exponential scaling of the Hilbert space dimension with system size. However, since Lindblad operators in the master equation are invariant under SU(4) transformations, we are able to reduce the exponential scaling of the problem to cubic by expanding the density matrix in terms of an SU(4) basis. In this way, we obtain exact quantum solutions of the superradiance-laser crossover. We use this theory to investigate the potential for ultrastable lasers in the millihertz linewidth regime, and find the behavior of important observables, such as intensity, linewidth, spin-correlation, and entanglement. This work was supported by the DARPA QUASAR program and NSF.

Phase diagram and quench dynamics of the cluster-XY spin chain

NASA Astrophysics Data System (ADS)

Montes, Sebastián; Hamma, Alioscia

2012-08-01

We study the complete phase space and the quench dynamics of an exactly solvable spin chain, the cluster-XY model. In this chain, the cluster term and the XY couplings compete to give a rich phase diagram. The phase diagram is studied by means of the quantum geometric tensor. We study the time evolution of the system after a critical quantum quench using the Loschmidt echo. The structure of the revivals after critical quantum quenches presents a nontrivial behavior depending on the phase of the initial state and the critical point.

Nonlocality, no-signalling, and Bellʼs theorem investigated by Weyl conformal differential geometry

NASA Astrophysics Data System (ADS)

De Martini, Francesco; Santamato, Enrico

2014-12-01

The principles and methods of conformal quantum geometrodynamics based on Weyl differential geometry are presented. The theory applied to the case of the relativistic single quantum spin-\\frac{1}{2} leads to a novel and unconventional derivation of the Dirac equation. The further extension of the theory to the case of two-spins-\\frac{1}{2} in the EPR entangled state and to the related violation of Bell inequalities leads, by an exact non-relativistic analysis, to an insightful resolution of all paradoxes implied by quantum nonlocality.

A continued fraction resummation form of bath relaxation effect in the spin-boson model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gong, Zhihao; Tang, Zhoufei; Wu, Jianlan, E-mail: jianlanwu@zju.edu.cn

2015-02-28

In the spin-boson model, a continued fraction form is proposed to systematically resum high-order quantum kinetic expansion (QKE) rate kernels, accounting for the bath relaxation effect beyond the second-order perturbation. In particular, the analytical expression of the sixth-order QKE rate kernel is derived for resummation. With higher-order correction terms systematically extracted from higher-order rate kernels, the resummed quantum kinetic expansion approach in the continued fraction form extends the Pade approximation and can fully recover the exact quantum dynamics as the expansion order increases.

Phase diagram and quench dynamics of the cluster-XY spin chain.

PubMed

Montes, Sebastián; Hamma, Alioscia

2012-08-01

We study the complete phase space and the quench dynamics of an exactly solvable spin chain, the cluster-XY model. In this chain, the cluster term and the XY couplings compete to give a rich phase diagram. The phase diagram is studied by means of the quantum geometric tensor. We study the time evolution of the system after a critical quantum quench using the Loschmidt echo. The structure of the revivals after critical quantum quenches presents a nontrivial behavior depending on the phase of the initial state and the critical point.

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

NASA Astrophysics Data System (ADS)

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

2009-08-01

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

Production of a sterile species via active-sterile mixing: An exactly solvable model

NASA Astrophysics Data System (ADS)

Boyanovsky, D.

2007-11-01

The production of a sterile species via active-sterile mixing in a thermal medium is studied in an exactly solvable model. The exact time evolution of the sterile distribution function is determined by the dispersion relations and damping rates Γ1,2 for the quasiparticle modes. These depend on γ˜=Γaa/2ΔE, with Γaa the interaction rate of the active species in absence of mixing and ΔE the oscillation frequency in the medium without damping. γ˜≪1, γ˜≫1 describe the weak and strong damping limits, respectively. For γ˜≪1, Γ1=Γaacos⁡2θm; Γ2=Γaasin⁡2θm where θm is the mixing angle in the medium and the sterile distribution function does not obey a simple rate equation. For γ˜≫1, Γ1=Γaa and Γ2=Γaasin⁡22θm/4γ˜2, is the sterile production rate. In this regime sterile production is suppressed and the oscillation frequency vanishes at an Mikheyev-Smirnov-Wolfenstein (MSW) resonance, with a breakdown of adiabaticity. These are consequences of quantum Zeno suppression. For active neutrinos with standard model interactions the strong damping limit is only available near an MSW resonance if sin⁡2θ≪αw with θ the vacuum mixing angle. The full set of quantum kinetic equations for sterile production for arbitrary γ˜ are obtained from the quantum master equation. Cosmological resonant sterile neutrino production is quantum Zeno suppressed relieving potential uncertainties associated with the QCD phase transition.

Chance and time: Cutting the Gordian knot

NASA Astrophysics Data System (ADS)

Hagar, Amit

One of the recurrent problems in the foundations of physics is to explain why we rarely observe certain phenomena that are allowed by our theories and laws. In thermodynamics, for example, the spontaneous approach towards equilibrium is ubiquitous yet the time-reversal-invariant laws that presumably govern thermal behaviour in the microscopic level equally allow spontaneous approach away from equilibrium to occur. Why are the former processes frequently observed while the latter are almost never reported? Another example comes from quantum mechanics where the formalism, if considered complete and universally applicable, predicts the existence of macroscopic superpositions---monstrous Schrodinger cats---and these are never observed: while electrons and atoms enjoy the cloudiness of waves, macroscopic objects are always localized to definite positions. A well-known explanatory framework due to Ludwig Boltzmann traces the rarity of "abnormal" thermodynamic phenomena to the scarcity of the initial conditions that lead to it. After all, physical laws are no more than algorithms and these are expected to generate different results according to different initial conditions, hence Boltzmann's insight that violations of thermodynamic laws are possible but highly improbable. Yet Boltzmann introduces probabilities into this explanatory scheme, and since the latter is couched in terms of classical mechanics, these probabilities must be interpreted as a result of ignorance of the exact state the system is in. Quantum mechanics has taught us otherwise. Here the attempts to explain why we never observe macroscopic superpositions have led to different interpretations of the formalism and to different solutions to the quantum measurement problem. These solutions introduce additional interpretations to the meaning of probability over and above ignorance of the definite state of the physical system: quantum probabilities may result from pure chance. Notwithstanding the success of the Boltzmannian framework in explaining the thermodynamic arrow in time it leaves us with a foundational puzzle: how can ignorance play a role in scientific explanation of objective reality? In turns out that two opposing solutions to the quantum measurement problem in which probabilities arise from the stochastic character of the underlying dynamics may scratch this explanatory itch. By offering a dynamical justification to the probabilities employed in classical statistical mechanics these two interpretations complete the Boltzmannian explanatory scheme and allow us to exorcize ignorance from scientific explanations of unobserved phenomena. In this thesis I argue that the puzzle of the thermodynamic arrow in time is closely related to the problem of interpreting quantum mechanics, i.e., to the measurement problem. We may solve one by fiat and thus solve the other, but it seems unwise to try solving them independently. I substantiate this claim by presenting two possible interpretations to non-relativistic quantum mechanics. Differing as they do on the meaning of the probabilities they introduce into the otherwise deterministic dynamics, these interpretations offer alternative explanatory schemes to the standard Boltzmannian statistical mechanical explanation of thermodynamic approach to equilibrium. I then show how notwithstanding their current empirical equivalence, the two approaches diverge at the continental divide between scientific realism and anti-realism.

Quantum glassiness in clean strongly correlated systems: an example of topological overprotection

NASA Astrophysics Data System (ADS)

Chamon, Claudio

2005-03-01

Describing matter at near absolute zero temperature requires understanding a system's quantum ground state and the low energy excitations around it, the quasiparticles, which are thermally populated by the system's contact to a heat bath. However, this paradigm breaks down if thermal equilibration is obstructed. I present solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, 1) have no quenched disorder, 2) have solely local interactions, 3) have an exactly solvable spectrum, 4) have topologically ordered ground states, and 5) have slow dynamical relaxation rates akin to those of strong structural glasses.

Non-classicality criteria: Glauber-Sudarshan P function and Mandel ? parameter

NASA Astrophysics Data System (ADS)

Alexanian, Moorad

2018-01-01

We calculate exactly the quantum mechanical, temporal Wigner quasiprobability density for a single-mode, degenerate parametric amplifier for a system in the Gaussian state, viz., a displaced-squeezed thermal state. The Wigner function allows us to calculate the fluctuations in photon number and the quadrature variance. We contrast the difference between the non-classicality criteria, which is independent of the displacement parameter ?, based on the Glauber-Sudarshan quasiprobability distribution ? and the classical/non-classical behaviour of the Mandel ? parameter, which depends strongly on ?. We find a phase transition as a function of ? such that at the critical point ?, ?, as a function of ?, goes from strictly classical, for ?, to a mixed classical/non-classical behaviour, for ?.

Microscopic boson approach to nuclear collective motion

NASA Astrophysics Data System (ADS)

Kuchta, R.

1989-10-01

A quantum mechanical approach to the maximally decoupled nuclear collective motion is proposed. The essential idea is to transcribe the original shell-model hamiltonian in terms of boson operators, then to isolate the collective one-boson eigenstates of the mapped hamiltonian and to perform a canonical transformation which eliminates (up to the two-body terms) the coupling between the collective and noncollective bosons. Unphysical states arising due to the violation of the Pauli principle in the boson space are identified and removed within a suitable approximation. The method is applied to study the low-lying collective states of nuclei which are successfully described by the exactly solvable multi-level pairing hamiltonian (Sn, Ni, Pb).

Entangled cloning of stabilizer codes and free fermions

NASA Astrophysics Data System (ADS)

Hsieh, Timothy H.

2016-10-01

Though the no-cloning theorem [Wooters and Zurek, Nature (London) 299, 802 (1982), 10.1038/299802a0] prohibits exact replication of arbitrary quantum states, there are many instances in quantum information processing and entanglement measurement in which a weaker form of cloning may be useful. Here, I provide a construction for generating an "entangled clone" for a particular but rather expansive and rich class of states. Given a stabilizer code or free fermion Hamiltonian, this construction generates an exact entangled clone of the original ground state, in the sense that the entanglement between the original and the exact copy can be tuned to be arbitrarily small but finite, or large, and the relation between the original and the copy can also be modified to some extent. For example, this Rapid Communication focuses on generating time-reversed copies of stabilizer codes and particle-hole transformed ground states of free fermion systems, although untransformed clones can also be generated. The protocol leverages entanglement to simulate a transformed copy of the Hamiltonian without having to physically implement it and can potentially be realized in superconducting qubits or ultracold atomic systems.

Andreev reflections and the quantum physics of black holes

NASA Astrophysics Data System (ADS)

Manikandan, Sreenath K.; Jordan, Andrew N.

2017-12-01

We establish an analogy between superconductor-metal interfaces and the quantum physics of a black hole, using the proximity effect. We show that the metal-superconductor interface can be thought of as an event horizon and Andreev reflection from the interface is analogous to the Hawking radiation in black holes. We describe quantum information transfer in Andreev reflection with a final state projection model similar to the Horowitz-Maldacena model for black hole evaporation. We also propose the Andreev reflection analogue of Hayden and Preskill's description of a black hole final state, where the black hole is described as an information mirror. The analogy between crossed Andreev reflections and Einstein-Rosen bridges is discussed: our proposal gives a precise mechanism for the apparent loss of quantum information in a black hole by the process of nonlocal Andreev reflection, transferring the quantum information through a wormhole and into another universe. Given these established connections, we conjecture that the final quantum state of a black hole is exactly the same as the ground state wave function of the superconductor/superfluid in the Bardeen-Cooper-Schrieffer (BCS) theory of superconductivity; in particular, the infalling matter and the infalling Hawking quanta, described in the Horowitz-Maldacena model, forms a Cooper pairlike singlet state inside the black hole. A black hole evaporating and shrinking in size can be thought of as the analogue of Andreev reflection by a hole where the superconductor loses a Cooper pair. Our model does not suffer from the black hole information problem since Andreev reflection is unitary. We also relate the thermodynamic properties of a black hole to that of a superconductor, and propose an experiment which can demonstrate the negative specific heat feature of black holes in a growing/evaporating condensate.

Scrambling of quantum information in quantum many-body systems

NASA Astrophysics Data System (ADS)

Iyoda, Eiki; Sagawa, Takahiro

2018-04-01

We systematically investigate scrambling (or delocalizing) processes of quantum information encoded in quantum many-body systems by using numerical exact diagonalization. As a measure of scrambling, we adopt the tripartite mutual information (TMI) that becomes negative when quantum information is delocalized. We clarify that scrambling is an independent property of the integrability of Hamiltonians; TMI can be negative or positive for both integrable and nonintegrable systems. This implies that scrambling is a separate concept from conventional quantum chaos characterized by nonintegrability. Specifically, we argue that there are a few exceptional initial states that do not exhibit scrambling, and show that such exceptional initial states have small effective dimensions. Furthermore, we calculate TMI in the Sachdev-Ye-Kitaev (SYK) model, a fermionic toy model of quantum gravity. We find that disorder does not make scrambling slower but makes it smoother in the SYK model, in contrast to many-body localization in spin chains.

Can quantum probes satisfy the weak equivalence principle?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seveso, Luigi, E-mail: luigi.seveso@unimi.it; Paris, Matteo G.A.; INFN, Sezione di Milano, I-20133 Milano

We address the question whether quantum probes in a gravitational field can be considered as test particles obeying the weak equivalence principle (WEP). A formulation of the WEP is proposed which applies also in the quantum regime, while maintaining the physical content of its classical counterpart. Such formulation requires the introduction of a gravitational field not to modify the Fisher information about the mass of a freely-falling probe, extractable through measurements of its position. We discover that, while in a uniform field quantum probes satisfy our formulation of the WEP exactly, gravity gradients can encode nontrivial information about the particle’smore » mass in its wavefunction, leading to violations of the WEP. - Highlights: • Can quantum probes under gravity be approximated as test-bodies? • A formulation of the weak equivalence principle for quantum probes is proposed. • Quantum probes are found to violate it as a matter of principle.« less

Robust quantum control using smooth pulses and topological winding

NASA Astrophysics Data System (ADS)

Barnes, Edwin; Wang, Xin

2015-03-01

Perhaps the greatest challenge in achieving control of microscopic quantum systems is the decoherence induced by the environment, a problem which pervades experimental quantum physics and is particularly severe in the context of solid state quantum computing and nanoscale quantum devices because of the inherently strong coupling to the surrounding material. We present an analytical approach to constructing intrinsically robust driving fields which automatically cancel the leading-order noise-induced errors in a qubit's evolution exactly. We address two of the most common types of non-Markovian noise that arise in qubits: slow fluctuations of the qubit energy splitting and fluctuations in the driving field itself. We demonstrate our method by constructing robust quantum gates for several types of spin qubits, including phosphorous donors in silicon and nitrogen-vacancy centers in diamond. Our results constitute an important step toward achieving robust generic control of quantum systems, bringing their novel applications closer to realization. Work supported by LPS-CMTC.

Neural-network quantum state tomography

NASA Astrophysics Data System (ADS)

Torlai, Giacomo; Mazzola, Guglielmo; Carrasquilla, Juan; Troyer, Matthias; Melko, Roger; Carleo, Giuseppe

2018-05-01

The experimental realization of increasingly complex synthetic quantum systems calls for the development of general theoretical methods to validate and fully exploit quantum resources. Quantum state tomography (QST) aims to reconstruct the full quantum state from simple measurements, and therefore provides a key tool to obtain reliable analytics1-3. However, exact brute-force approaches to QST place a high demand on computational resources, making them unfeasible for anything except small systems4,5. Here we show how machine learning techniques can be used to perform QST of highly entangled states with more than a hundred qubits, to a high degree of accuracy. We demonstrate that machine learning allows one to reconstruct traditionally challenging many-body quantities—such as the entanglement entropy—from simple, experimentally accessible measurements. This approach can benefit existing and future generations of devices ranging from quantum computers to ultracold-atom quantum simulators6-8.

High-performance semiconductor quantum-dot single-photon sources

NASA Astrophysics Data System (ADS)

Senellart, Pascale; Solomon, Glenn; White, Andrew

2017-11-01

Single photons are a fundamental element of most quantum optical technologies. The ideal single-photon source is an on-demand, deterministic, single-photon source delivering light pulses in a well-defined polarization and spatiotemporal mode, and containing exactly one photon. In addition, for many applications, there is a quantum advantage if the single photons are indistinguishable in all their degrees of freedom. Single-photon sources based on parametric down-conversion are currently used, and while excellent in many ways, scaling to large quantum optical systems remains challenging. In 2000, semiconductor quantum dots were shown to emit single photons, opening a path towards integrated single-photon sources. Here, we review the progress achieved in the past few years, and discuss remaining challenges. The latest quantum dot-based single-photon sources are edging closer to the ideal single-photon source, and have opened new possibilities for quantum technologies.

Dissipative quantum trajectories in complex space: Damped harmonic oscillator

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

Dissipative quantum trajectories in complex space are investigated in the framework of the logarithmic nonlinear Schrödinger equation. The logarithmic nonlinear Schrödinger equation provides a phenomenological description for dissipative quantum systems. Substituting the wave function expressed in terms of the complex action into the complex-extended logarithmic nonlinear Schrödinger equation, we derive the complex quantum Hamilton–Jacobi equation including the dissipative potential. It is shown that dissipative quantum trajectories satisfy a quantum Newtonian equation of motion in complex space with a friction force. Exact dissipative complex quantum trajectories are analyzed for the wave and solitonlike solutions to the logarithmic nonlinear Schrödinger equation formore » the damped harmonic oscillator. These trajectories converge to the equilibrium position as time evolves. It is indicated that dissipative complex quantum trajectories for the wave and solitonlike solutions are identical to dissipative complex classical trajectories for the damped harmonic oscillator. This study develops a theoretical framework for dissipative quantum trajectories in complex space.« less

Study of Atomic Quasi-Stable States, Decoherence And Cooling of Mesoscale Particles

NASA Astrophysics Data System (ADS)

Zhong, Changchun

Quantum mechanics, since its very beginning, has totally changed the way we understand nature. The past hundred years have seen great successes in the application of quantum physics, including atomic spectra, laser technology, condensed matter physics and the remarkable possibility for quantum computing, etc. This thesis is dedicated to a small regime of quantum physics. In the first part of the thesis, I present the studies of atomic quasi-stable states, which refer to those Rydberg states of an atom that are relatively stable in the presence of strong fields. Through spectrally probing the quasi-stable states, series of survival peaks are found. If the quasi-stable electrons were created by ultraviolet (UV) lasers with two different frequencies, the survival peaks could be modulated by continuously changing the phase difference between the UV and the IR laser. The quantum simulation, through directly solving the Schrodinger equation, matches the experimental results performed with microwave fields, and our studies should provide a guidance for future experiments. Despite the huge achievements in the application of quantum theory, there are still some fundamental problems that remain unresolved. One of them is the so-called quantum-to-classical transition, which refers to the expectation that the system behaves in a more classical manner when the system size increases. This basic question was not well answered until decoherence theory was proposed, which states that the coherence of a quantum system tends to be destroyed by environmental interruptions. Thus, if a system is well isolated from its environment, it is in principle possible to observe macroscopic quantum coherence. Quite recently, testing quantum principles in the macroscale has become a hot topic due to rapic technological developments. A very promising platform for testing macroscale quantum physics is a laser levitated nanoparticle, and cooling its mechanical motion to the ground state is the first step. In the second part of this thesis, we develop the theory of decoherence for a mesoscopic system's rotational degrees of freedom. Combining decoherence in the translational degrees of freedom, the system's shot noise heating is discussed. We then focus on cooling the nanoparticle in the laser-shot-noise-dominant regime using two different feedback cooling schemes: the force feedback cooling and the parametric feedback cooling. Both quantum and classical calculations are performed, and an exact match is observed. We also explore the parameters that could possibly affect the cooling trend, where we find that the cooling limit for both cooling schemes strongly depends on the position measurement efficiency, and it poses good questions for researchers interested in achieving ground state cooling: what is the best measurement efficiency for a given measurement setup and what can be done to get a better measurement efficiency?

ODE/IM correspondence and the Argyres-Douglas theory

NASA Astrophysics Data System (ADS)

Ito, Katsushi; Shu, Hongfei

2017-08-01

We study the quantum spectral curve of the Argyres-Douglas theories in the Nekrasov-Sahashvili limit of the Omega-background. Using the ODE/IM correspondence we investigate the quantum integrable model corresponding to the quantum spectral curve. We show that the models for the A 2 N -type theories are non-unitary coset models ( A 1)1 × ( A 1) L /( A 1) L+1 at the fractional level L=2/2N+1-2 , which appear in the study of the 4d/2d correspondence of N = 2 superconformal field theories. Based on the WKB analysis, we clarify the relation between the Y-functions and the quantum periods and study the exact Bohr-Sommerfeld quantization condition for the quantum periods. We also discuss the quantum spectral curves for the D and E type theories.

Electron-Phonon Systems on a Universal Quantum Computer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macridin, Alexandru; Spentzouris, Panagiotis; Amundson, James

We present an algorithm that extends existing quantum algorithms forsimulating fermion systems in quantum chemistry and condensed matter physics toinclude phonons. The phonon degrees of freedom are represented with exponentialaccuracy on a truncated Hilbert space with a size that increases linearly withthe cutoff of the maximum phonon number. The additional number of qubitsrequired by the presence of phonons scales linearly with the size of thesystem. The additional circuit depth is constant for systems with finite-rangeelectron-phonon and phonon-phonon interactions and linear for long-rangeelectron-phonon interactions. Our algorithm for a Holstein polaron problem wasimplemented on an Atos Quantum Learning Machine (QLM) quantum simulatoremployingmore » the Quantum Phase Estimation method. The energy and the phonon numberdistribution of the polaron state agree with exact diagonalization results forweak, intermediate and strong electron-phonon coupling regimes.« less

Unitary Quantum Relativity. (Work in Progress)

NASA Astrophysics Data System (ADS)

Finkelstein, David Ritz

2017-01-01

A quantum universe is expressed as a finite unitary relativistic quantum computer network. Its addresses are subject to quantum superposition as well as its memory. It has no exact mathematical model. It Its Hilbert space of input processes is also a Clifford algebra with a modular architecture of many ranks. A fundamental fermion is a quantum computer element whose quantum address belongs to the rank below. The least significant figures of its address define its spin and flavor. The most significant figures of it adress define its orbital variables. Gauging arises from the same quantification as space-time. This blurs star images only slightly, but perhaps measurably. General relativity is an approximation that splits nature into an emptiness with a high symmetry that is broken by a filling of lower symmetry. Action principles result from self-organization pf the vacuum.

Edge physics of the quantum spin Hall insulator from a quantum dot excited by optical absorption.

PubMed

Vasseur, Romain; Moore, Joel E

2014-04-11

The gapless edge modes of the quantum spin Hall insulator form a helical liquid in which the direction of motion along the edge is determined by the spin orientation of the electrons. In order to probe the Luttinger liquid physics of these edge states and their interaction with a magnetic (Kondo) impurity, we consider a setup where the helical liquid is tunnel coupled to a semiconductor quantum dot that is excited by optical absorption, thereby inducing an effective quantum quench of the tunneling. At low energy, the absorption spectrum is dominated by a power-law singularity. The corresponding exponent is directly related to the interaction strength (Luttinger parameter) and can be computed exactly using boundary conformal field theory thanks to the unique nature of the quantum spin Hall edge.

Formulation of the relativistic quantum Hall effect and parity anomaly

NASA Astrophysics Data System (ADS)

Yonaga, Kouki; Hasebe, Kazuki; Shibata, Naokazu

2016-06-01

We present a relativistic formulation of the quantum Hall effect on Haldane sphere. An explicit form of the pseudopotential is derived for the relativistic quantum Hall effect with/without mass term. We clarify particular features of the relativistic quantum Hall states with the use of the exact diagonalization study of the pseudopotential Hamiltonian. Physical effects of the mass term to the relativistic quantum Hall states are investigated in detail. The mass term acts as an interpolating parameter between the relativistic and nonrelativistic quantum Hall effects. It is pointed out that the mass term unevenly affects the many-body physics of the positive and negative Landau levels as a manifestation of the "parity anomaly." In particular, we explicitly demonstrate the instability of the Laughlin state of the positive first relativistic Landau level with the reduction of the charge gap.

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory.

PubMed

Marsalek, Ondrej; Markland, Thomas E

2016-02-07

Path integral molecular dynamics simulations, combined with an ab initio evaluation of interactions using electronic structure theory, incorporate the quantum mechanical nature of both the electrons and nuclei, which are essential to accurately describe systems containing light nuclei. However, path integral simulations have traditionally required a computational cost around two orders of magnitude greater than treating the nuclei classically, making them prohibitively costly for most applications. Here we show that the cost of path integral simulations can be dramatically reduced by extending our ring polymer contraction approach to ab initio molecular dynamics simulations. By using density functional tight binding as a reference system, we show that our ring polymer contraction scheme gives rapid and systematic convergence to the full path integral density functional theory result. We demonstrate the efficiency of this approach in ab initio simulations of liquid water and the reactive protonated and deprotonated water dimer systems. We find that the vast majority of the nuclear quantum effects are accurately captured using contraction to just the ring polymer centroid, which requires the same number of density functional theory calculations as a classical simulation. Combined with a multiple time step scheme using the same reference system, which allows the time step to be increased, this approach is as fast as a typical classical ab initio molecular dynamics simulation and 35× faster than a full path integral calculation, while still exactly including the quantum sampling of nuclei. This development thus offers a route to routinely include nuclear quantum effects in ab initio molecular dynamics simulations at negligible computational cost.

Quantum Engineering of Dynamical Gauge Fields on Optical Lattices

DTIC Science & Technology

2016-07-08

opens the door for exciting new research directions, such as quantum simulation of the Schwinger model and of non-Abelian models. (a) Papers...exact blocking formulas from the TRG formulation of the transfer matrix. The second is a worm algorithm. The particle number distributions obtained...a fact that can be explained by an approximate particle- hole symmetry. We have also developed a computer code suite for simulating the Abelian

Continuous-variable quantum key distribution with Gaussian source noise

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen Yujie; Peng Xiang; Yang Jian

2011-05-15

Source noise affects the security of continuous-variable quantum key distribution (CV QKD) and is difficult to analyze. We propose a model to characterize Gaussian source noise through introducing a neutral party (Fred) who induces the noise with a general unitary transformation. Without knowing Fred's exact state, we derive the security bounds for both reverse and direct reconciliations and show that the bound for reverse reconciliation is tight.

Quantum entanglement and criticality of the antiferromagnetic Heisenberg model in an external field.

PubMed

Liu, Guang-Hua; Li, Ruo-Yan; Tian, Guang-Shan

2012-06-27

By Lanczos exact diagonalization and the infinite time-evolving block decimation (iTEBD) technique, the two-site entanglement as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization in the antiferromagnetic Heisenberg (AFH) model under an external field are investigated. With increasing external field, the small size system shows some distinct upward magnetization stairsteps, accompanied synchronously with some downward two-site entanglement stairsteps. In the thermodynamic limit, the two-site entanglement, as well as the bipartite entanglement, the ground state energy, the nearest-neighbor correlations, and the magnetization are calculated, and the critical magnetic field h(c) = 2.0 is determined exactly. Our numerical results show that the quantum entanglement is sensitive to the subtle changing of the ground state, and can be used to describe the magnetization and quantum phase transition. Based on the discontinuous behavior of the first-order derivative of the entanglement entropy and fidelity per site, we think that the quantum phase transition in this model should belong to the second-order category. Furthermore, in the magnon existence region (h < 2.0), a logarithmically divergent behavior of block entanglement which can be described by a free bosonic field theory is observed, and the central charge c is determined to be 1.

Generalizing the ADM computation to quantum field theory

NASA Astrophysics Data System (ADS)

Mora, P. J.; Tsamis, N. C.; Woodard, R. P.

2012-01-01

The absence of recognizable, low energy quantum gravitational effects requires that some asymptotic series expansion be wonderfully accurate, but the correct expansion might involve logarithms or fractional powers of Newton’s constant. That would explain why conventional perturbation theory shows uncontrollable ultraviolet divergences. We explore this possibility in the context of the mass of a charged, gravitating scalar. The classical limit of this system was solved exactly in 1960 by Arnowitt, Deser and Misner, and their solution does exhibit nonanalytic dependence on Newton’s constant. We derive an exact functional integral representation for the mass of the quantum field theoretic system, and then develop an alternate expansion for it based on a correct implementation of the method of stationary phase. The new expansion entails adding an infinite class of new diagrams to each order and subtracting them from higher orders. The zeroth-order term of the new expansion has the physical interpretation of a first quantized Klein-Gordon scalar which forms a bound state in the gravitational and electromagnetic potentials sourced by its own probability current. We show that such bound states exist and we obtain numerical results for their masses.

Exact ground states for the nearest neighbor quantum XXZ model on the kagome and other lattices with triangular motifs at Jz /Jxy = - 1 / 2

NASA Astrophysics Data System (ADS)

Changlani, Hitesh; Kumar, Krishna; Kochkov, Dmitrii; Fradkin, Eduardo; Clark, Bryan

We report the existence of a quantum macroscopically degenerate ground state manifold on the nearest neighbor XXZ model on the kagome lattice at the point Jz /Jxy = - 1 / 2 . On many lattices with triangular motifs (including the kagome, sawtooth, icosidodecahedron and Shastry-Sutherland lattice for a certain choice of couplings) this Hamiltonian is found to be frustration-free with exact ground states which correspond to three-colorings of these lattices. Several results also generalize to the case of variable couplings and to other motifs (albeit with possibly more complex Hamiltonians). The degenerate manifold on the kagome lattice corresponds to a ''many-body flat band'' of interacting hard-core bosons; and for the one boson case our results also explain the well-known non-interacting flat band. On adding realistic perturbations, state selection in this manifold of quantum many-body states is discussed along with the implications for the phase diagram of the kagome lattice antiferromagnet. supported by DE-FG02-12ER46875, DMR 1408713, DE-FG02-08ER46544.

Multi-excitonic (N=1,2 and 3) quantum dots in magnetic field: Analytical mapping of correlations (exchange) by multipole expansion

NASA Astrophysics Data System (ADS)

Singh, Sunny; Kaur, Harsimran; Sharma, Shivalika; Aggarwal, Priyanka; Hazra, Ram Kuntal

2017-04-01

The understanding of the physics of exciton, bi-exciton, tri-exciton and the subsequent insight into controlling the properties of mesoscopic systems holds the key to various exotic optical, electrical and magnetic phenomena like superconductivity, Mott insulation, Quantum Hall effect etc. Many of exciton properties are similar to atomic hydrogen that attracts researchers to explore electronic structure of exciton in quantum dots, but nontriviality arises due to coulombic interactions among electrons and holes. We propose an exact integral of coulomb (exchange) correlation in terms of finitely summed Lauricella functions to examine 3-D exciton of harmonic dots confined in zero and non-zero arbitrary magnetic field. The highlight of our work is the use of exact variational solution for coloumbic interaction between the hole and the electron and evaluation of the cross terms arising out of the coupling among centre-of-mass and relative coordinates. We also have extended the size of the system to generalized N-body problem with N=3,4 for tri-exciton (e-e-h/e-h-h)

General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

NASA Astrophysics Data System (ADS)

Zhou, Chenyi; Guo, Hong

2017-01-01

We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

Performance of the density matrix functional theory in the quantum theory of atoms in molecules.

PubMed

García-Revilla, Marco; Francisco, E; Costales, A; Martín Pendás, A

2012-02-02

The generalization to arbitrary molecular geometries of the energetic partitioning provided by the atomic virial theorem of the quantum theory of atoms in molecules (QTAIM) leads to an exact and chemically intuitive energy partitioning scheme, the interacting quantum atoms (IQA) approach, that depends on the availability of second-order reduced density matrices (2-RDMs). This work explores the performance of this approach in particular and of the QTAIM in general with approximate 2-RDMs obtained from the density matrix functional theory (DMFT), which rests on the natural expansion (natural orbitals and their corresponding occupation numbers) of the first-order reduced density matrix (1-RDM). A number of these functionals have been implemented in the promolden code and used to perform QTAIM and IQA analyses on several representative molecules and model chemical reactions. Total energies, covalent intra- and interbasin exchange-correlation interactions, as well as localization and delocalization indices have been determined with these functionals from 1-RDMs obtained at different levels of theory. Results are compared to the values computed from the exact 2-RDMs, whenever possible.

Mapping the Braiding Properties of Non-Abelian FQHE Liquids.

NASA Astrophysics Data System (ADS)

Prodan, Emil; Haldane, F. D. M.

2007-03-01

Non-Abelian FQHE (NAFQHE) states have elementary excitations that cannot be individually locally-created. When widely separated, they give rise to topological (quasi-)degeneracy of the quantum states; braiding of such non-Abelian quasiparticles (NAQP's) implements unitary transformations among the degenerate states that may be useful for ``topological quantum computing'' (TQC). We have developed a new technique for explicit computation of NAQP braiding in models exhibiting ideal NAFQHE behavior (where the topological degeneracy is exact), in particular the Moore-Read ν = 5/2 state. For systems of small numbers of NAQP's on a sphere, we have computed the non-Abelian Berry curvature and Hilbert space metric, as one NAQP is moved relative to a fixed configuration of the others, showing how the topological properties develop as the system size (NAQP separation) increases. We also studied the effect of perturbations (Coulomb interaction and substrate potentials) that lift the exact degeneracy, and become the dominant corrections when NAQP's are brought together so that quantum measurements can be made; these effects are likely to be crucial in determining whether TQC is viable in NAFQHE systems.

Quantizing the Toda lattice

DOE Office of Scientific and Technical Information (OSTI.GOV)

Siddharthan, R.; Shastry, B.S.

In this work we study the quantum Toda lattice, developing the asymptotic Bethe ansatz method first used by Sutherland. Despite its known limitations we find, on comparing with Gutzwiller{close_quote}s exact method, that it works well in this particular problem and in fact becomes exact as {h_bar} grows large. We calculate ground state and excitation energies for finite-sized lattices, identify excitations as phonons and solitons on the basis of their quantum numbers, and find their dispersions. These are similar to the classical dispersions for small {h_bar}, and remain similar all the way up to {h_bar}=1, but then deviate substantially as wemore » go farther into the quantum regime. On comparing the sound velocities for various {h_bar} obtained thus with that predicted by conformal theory we conclude that the Bethe ansatz gives the energies per particle accurate to O(1/N{sup 2}). On that assumption we can find correlation functions. Thus the Bethe ansatz method can be used to yield much more than the thermodynamic properties which previous authors have calculated. {copyright} {ital 1997} {ital The American Physical Society}« less

The Dirac-Moshinsky oscillator coupled to an external field and its connection to quantum optics

NASA Astrophysics Data System (ADS)

Torres, Juan Mauricio; Sadurní, Emerson; Seligman, Thomas H.

2010-12-01

The Dirac-Moshinsky oscillator is an elegant example of an exactly solvable quantum relativistic model that under certain circumstances can be mapped onto the Jaynes-Cummings model in quantum optics. In this work we show, how to do this in detail. Then we extend it by considering its coupling with an external (isospin) field and find the conditions that maintain solvability. We use this extended system to explore entanglement in relativistic systems and then identify its quantum optical analog: two different atoms interacting with an electromagnetic mode. We show different aspects of entanglement which gain relevance in this last system, which can be used to emulate the former.

Semiclassical approach to finite-temperature quantum annealing with trapped ions

NASA Astrophysics Data System (ADS)

Raventós, David; Graß, Tobias; Juliá-Díaz, Bruno; Lewenstein, Maciej

2018-05-01

Recently it has been demonstrated that an ensemble of trapped ions may serve as a quantum annealer for the number-partitioning problem [Nat. Commun. 7, 11524 (2016), 10.1038/ncomms11524]. This hard computational problem may be addressed by employing a tunable spin-glass architecture. Following the proposal of the trapped-ion annealer, we study here its robustness against thermal effects; that is, we investigate the role played by thermal phonons. For the efficient description of the system, we use a semiclassical approach, and benchmark it against the exact quantum evolution. The aim is to understand better and characterize how the quantum device approaches a solution of an otherwise difficult to solve NP-hard problem.

Supersymmetric Sachdev-Ye-Kitaev models

DOE PAGES

Fu, Wenbo; Gaiotto, Davide; Maldacena, Juan; ...

2017-01-13

We discuss a supersymmetric generalization of the Sachdev-Ye-Kitaev (SYK) model. These are quantum mechanical models involving N Majorana fermions. The supercharge is given by a polynomial expression in terms of the Majorana fermions with random coefficients. The Hamiltonian is the square of the supercharge. The N = 1 model with a single supercharge has unbroken supersymmetry at large N , but nonperturbatively spontaneously broken supersymmetry in the exact theory. We analyze the model by looking at the large N equation, and also by performing numerical computations for small values of N . We also compute the large N spectrum ofmore » “singlet” operators, where we find a structure qualitatively similar to the ordinary SYK model. We also discuss an N = 2 version. In this case, the model preserves supersymmetry in the exact theory and we can compute a suitably weighted Witten index to count the number of ground states, which agrees with the large N computation of the entropy. In both cases, we discuss the supersymmetric generalizations of the Schwarzian action which give the dominant effects at low energies.« less

New strings for old Veneziano amplitudes. II. Group-theoretic treatment

NASA Astrophysics Data System (ADS)

Kholodenko, A. L.

2006-09-01

In this part of our four parts work we use theory of polynomial invariants of finite pseudo-reflection groups in order to reconstruct both the Veneziano and Veneziano-like (tachyon-free) amplitudes and the generating function reproducing these amplitudes. We demonstrate that such generating function and amplitudes associated with it can be recovered with help of finite dimensional exactly solvableN=2 supersymmetric quantum mechanical model known earlier from works of Witten, Stone and others. Using the Lefschetz isomorphism theorem we replace traditional supersymmetric calculations by the group-theoretic thus solving the Veneziano model exactly using standard methods of representation theory. Mathematical correctness of our arguments relies on important theorems by Shepard and Todd, Serre and Solomon proven respectively in the early 50s and 60s and documented in the monograph by Bourbaki. Based on these theorems, we explain why the developed formalism leaves all known results of conformal field theories unchanged. We also explain why these theorems impose stringent requirements connecting analytical properties of scattering amplitudes with symmetries of space-time in which such amplitudes act.

Jets and Metastability in Quantum Mechanics and Quantum Field Theory

NASA Astrophysics Data System (ADS)

Farhi, David

I give a high level overview of the state of particle physics in the introduction, accessible without any background in the field. I discuss improvements of theoretical and statistical methods used for collider physics. These include telescoping jets, a statistical method which was claimed to allow jet searches to increase their sensitivity by considering several interpretations of each event. We find that indeed multiple interpretations extend the power of searches, for both simple counting experiments and powerful multivariate fitting experiments, at least for h → bb¯ at the LHC. Then I propose a method for automation of background calculations using SCET by appropriating the technology of Monte Carlo generators such as MadGraph. In the third chapter I change gears and discuss the future of the universe. It has long been known that our pocket of the standard model is unstable; there is a lower-energy configuration in a remote part of the configuration space, to which our universe will, eventually, decay. While the timescales involved are on the order of 10400 years (depending on how exactly one counts) and thus of no immediate worry, I discuss the shortcomings of the standard methods and propose a more physically motivated derivation for the decay rate. I then make various observations about the structure of decays in quantum field theory.

A Genuine Jahn-Teller System with Compressed Geometry and Quantum Effects Originating from Zero-Point Motion.

PubMed

Aramburu, José Antonio; García-Fernández, Pablo; García-Lastra, Juan María; Moreno, Miguel

2016-07-18

First-principle calculations together with analysis of the experimental data found for 3d(9) and 3d(7) ions in cubic oxides proved that the center found in irradiated CaO:Ni(2+) corresponds to Ni(+) under a static Jahn-Teller effect displaying a compressed equilibrium geometry. It was also shown that the anomalous positive g∥ shift (g∥ -g0 =0.065) measured at T=20 K obeys the superposition of the |3 z(2) -r(2) ⟩ and |x(2) -y(2) ⟩ states driven by quantum effects associated with the zero-point motion, a mechanism first put forward by O'Brien for static Jahn-Teller systems and later extended by Ham to the dynamic Jahn-Teller case. To our knowledge, this is the first genuine Jahn-Teller system (i.e. in which exact degeneracy exists at the high-symmetry configuration) exhibiting a compressed equilibrium geometry for which large quantum effects allow experimental observation of the effect predicted by O'Brien. Analysis of the calculated energy barriers for different Jahn-Teller systems allowed us to explain the origin of the compressed geometry observed for CaO:Ni(+) . © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Increasing the efficiency and accuracy of time-resolved electronic spectra calculations with on-the-fly ab initio quantum dynamics methods

NASA Astrophysics Data System (ADS)

Vanicek, Jiri

2014-03-01

Rigorous quantum-mechanical calculations of coherent ultrafast electronic spectra remain difficult. I will present several approaches developed in our group that increase the efficiency and accuracy of such calculations: First, we justified the feasibility of evaluating time-resolved spectra of large systems by proving that the number of trajectories needed for convergence of the semiclassical dephasing representation/phase averaging is independent of dimensionality. Recently, we further accelerated this approximation with a cellular scheme employing inverse Weierstrass transform and optimal scaling of the cell size. The accuracy of potential energy surfaces was increased by combining the dephasing representation with accurate on-the-fly ab initio electronic structure calculations, including nonadiabatic and spin-orbit couplings. Finally, the inherent semiclassical approximation was removed in the exact quantum Gaussian dephasing representation, in which semiclassical trajectories are replaced by communicating frozen Gaussian basis functions evolving classically with an average Hamiltonian. Among other examples I will present an on-the-fly ab initio semiclassical dynamics calculation of the dispersed time-resolved stimulated emission spectrum of the 54-dimensional azulene. This research was supported by EPFL and by the Swiss National Science Foundation NCCR MUST (Molecular Ultrafast Science and Technology) and Grant No. 200021124936/1.

How an interacting many-body system tunnels through a potential barrier to open space

PubMed Central

Lode, Axel U.J.; Streltsov, Alexej I.; Sakmann, Kaspar; Alon, Ofir E.; Cederbaum, Lorenz S.

2012-01-01

The tunneling process in a many-body system is a phenomenon which lies at the very heart of quantum mechanics. It appears in nature in the form of α-decay, fusion and fission in nuclear physics, and photoassociation and photodissociation in biology and chemistry. A detailed theoretical description of the decay process in these systems is a very cumbersome problem, either because of very complicated or even unknown interparticle interactions or due to a large number of constituent particles. In this work, we theoretically study the phenomenon of quantum many-body tunneling in a transparent and controllable physical system, an ultracold atomic gas. We analyze a full, numerically exact many-body solution of the Schrödinger equation of a one-dimensional system with repulsive interactions tunneling to open space. We show how the emitted particles dissociate or fragment from the trapped and coherent source of bosons: The overall many-particle decay process is a quantum interference of single-particle tunneling processes emerging from sources with different particle numbers taking place simultaneously. The close relation to atom lasers and ionization processes allows us to unveil the great relevance of many-body correlations between the emitted and trapped fractions of the wave function in the respective processes. PMID:22869703

An auxiliary-field quantum Monte Carlo study of the chromium dimer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Purwanto, Wirawan, E-mail: wirawan0@gmail.com; Zhang, Shiwei; Krakauer, Henry

2015-02-14

The chromium dimer (Cr{sub 2}) presents an outstanding challenge for many-body electronic structure methods. Its complicated nature of binding, with a formal sextuple bond and an unusual potential energy curve (PEC), is emblematic of the competing tendencies and delicate balance found in many strongly correlated materials. We present an accurate calculation of the PEC and ground state properties of Cr{sub 2}, using the auxiliary-field quantum Monte Carlo (AFQMC) method. Unconstrained, exact AFQMC calculations are first carried out for a medium-sized but realistic basis set. Elimination of the remaining finite-basis errors and extrapolation to the complete basis set limit are thenmore » achieved with a combination of phaseless and exact AFQMC calculations. Final results for the PEC and spectroscopic constants are in excellent agreement with experiment.« less

Propagation of arbitrary initial wave packets in a quantum parametric oscillator: Instability zones for higher order moments

NASA Astrophysics Data System (ADS)

Biswas, Subhadip; Chattopadhyay, Rohitashwa; Bhattacharjee, Jayanta K.

2018-05-01

We consider the dynamics of a particle in a parametric oscillator with a view to exploring any quantum feature of the initial wave packet that shows divergent (in time) behaviour for parameter values where the classical motion dynamics of the mean position is bounded. We use Ehrenfest's theorem to explore the dynamics of nth order moment which reduces exactly to a linear non autonomous differential equation of order n + 1. It is found that while the width and skewness of the packet is unbounded exactly in the zones where the classical motion is unbounded, the kurtosis of an initially non-gaussian wave packet can become infinitely large in certain additional zones. This implies that the shape of the wave packet can change drastically with time in these zones.

Bose-Einstein condensation in chains with power-law hoppings: Exact mapping on the critical behavior in d-dimensional regular lattices.

PubMed

Dias, W S; Bertrand, D; Lyra, M L

2017-06-01

Recent experimental progress on the realization of quantum systems with highly controllable long-range interactions has impelled the study of quantum phase transitions in low-dimensional systems with power-law couplings. Long-range couplings mimic higher-dimensional effects in several physical contexts. Here, we provide the exact relation between the spectral dimension d at the band bottom and the exponent α that tunes the range of power-law hoppings of a one-dimensional ideal lattice Bose gas. We also develop a finite-size scaling analysis to obtain some relevant critical exponents and the critical temperature of the BEC transition. In particular, an irrelevant dangerous scaling field has to be taken into account when the hopping range is sufficiently large to make the effective dimensionality d>4.

Bose-Einstein condensation in chains with power-law hoppings: Exact mapping on the critical behavior in d -dimensional regular lattices

NASA Astrophysics Data System (ADS)

Dias, W. S.; Bertrand, D.; Lyra, M. L.

2017-06-01

Recent experimental progress on the realization of quantum systems with highly controllable long-range interactions has impelled the study of quantum phase transitions in low-dimensional systems with power-law couplings. Long-range couplings mimic higher-dimensional effects in several physical contexts. Here, we provide the exact relation between the spectral dimension d at the band bottom and the exponent α that tunes the range of power-law hoppings of a one-dimensional ideal lattice Bose gas. We also develop a finite-size scaling analysis to obtain some relevant critical exponents and the critical temperature of the BEC transition. In particular, an irrelevant dangerous scaling field has to be taken into account when the hopping range is sufficiently large to make the effective dimensionality d >4 .

Analytical pair correlations in ideal quantum gases: temperature-dependent bunching and antibunching.

PubMed

Bosse, J; Pathak, K N; Singh, G S

2011-10-01

The fluctuation-dissipation theorem together with the exact density response spectrum for ideal quantum gases has been utilized to yield a new expression for the static structure factor, which we use to derive exact analytical expressions for the temperature-dependent pair distribution function g(r) of the ideal gases. The plots of bosonic and fermionic g(r) display "Bose pile" and "Fermi hole" typically akin to bunching and antibunching as observed experimentally for ultracold atomic gases. The behavior of spin-scaled pair correlation for fermions is almost featureless, but bosons show a rich structure including long-range correlations near T(c). The coherent state at T=0 shows no correlation at all, just like single-mode lasers. The depicted decreasing trend in correlation with decrease in temperature for T

Magnetic properties of graphene quantum dots

NASA Astrophysics Data System (ADS)

Espinosa-Ortega, T.; Luk'yanchuk, I. A.; Rubo, Y. G.

2013-05-01

Using the tight-binding approximation we calculated the diamagnetic susceptibility of graphene quantum dots (GQDs) of different geometrical shapes and characteristic sizes of 2-10 nm, when the magnetic properties are governed by the electron edge states. Two types of edge states can be discerned: the zero-energy states (ZESs), located exactly at the zero-energy Dirac point, and the dispersed edge states (DESs), with the energy close but not exactly equal to zero. DESs are responsible for a temperature-independent diamagnetic response, while ZESs provide a temperature-dependent spin paramagnetism. Hexagonal, circular, and randomly shaped GQDs contain mainly DESs, and, as a result, they are diamagnetic. The edge states of the triangular GQDs are of ZES type. These dots reveal the crossover between spin paramagnetism, dominating for small dots and at low temperatures, and orbital diamagnetism, dominating for large dots and at high temperatures.

Kitaev honeycomb tensor networks: Exact unitary circuits and applications

NASA Astrophysics Data System (ADS)

Schmoll, Philipp; Orús, Román

2017-01-01

The Kitaev honeycomb model is a paradigm of exactly solvable models, showing nontrivial physical properties such as topological quantum order, Abelian and non-Abelian anyons, and chirality. Its solution is one of the most beautiful examples of the interplay of different mathematical techniques in condensed matter physics. In this paper, we show how to derive a tensor network (TN) description of the eigenstates of this spin-1/2 model in the thermodynamic limit, and in particular for its ground state. In our setting, eigenstates are naturally encoded by an exact 3d TN structure made of fermionic unitary operators, corresponding to the unitary quantum circuit building up the many-body quantum state. In our derivation we review how the different "solution ingredients" of the Kitaev honeycomb model can be accounted for in the TN language, namely, Jordan-Wigner transformation, braidings of Majorana modes, fermionic Fourier transformation, and Bogoliubov transformation. The TN built in this way allows for a clear understanding of several properties of the model. In particular, we show how the fidelity diagram is straightforward both at zero temperature and at finite temperature in the vortex-free sector. We also show how the properties of two-point correlation functions follow easily. Finally, we also discuss the pros and cons of contracting of our 3d TN down to a 2d projected entangled pair state (PEPS) with finite bond dimension. The results in this paper can be extended to generalizations of the Kitaev model, e.g., to other lattices, spins, and dimensions.

Design of automata theory of cubical complexes with applications to diagnosis and algorithmic description

NASA Technical Reports Server (NTRS)

Roth, J. P.

1972-01-01

The following problems are considered: (1) methods for development of logic design together with algorithms, so that it is possible to compute a test for any failure in the logic design, if such a test exists, and developing algorithms and heuristics for the purpose of minimizing the computation for tests; and (2) a method of design of logic for ultra LSI (large scale integration). It was discovered that the so-called quantum calculus can be extended to render it possible: (1) to describe the functional behavior of a mechanism component by component, and (2) to compute tests for failures, in the mechanism, using the diagnosis algorithm. The development of an algorithm for the multioutput two-level minimization problem is presented and the program MIN 360 was written for this algorithm. The program has options of mode (exact minimum or various approximations), cost function, cost bound, etc., providing flexibility.

High-Power Collective Charging of a Solid-State Quantum Battery

NASA Astrophysics Data System (ADS)

Ferraro, Dario; Campisi, Michele; Andolina, Gian Marcello; Pellegrini, Vittorio; Polini, Marco

2018-03-01

Quantum information theorems state that it is possible to exploit collective quantum resources to greatly enhance the charging power of quantum batteries (QBs) made of many identical elementary units. We here present and solve a model of a QB that can be engineered in solid-state architectures. It consists of N two-level systems coupled to a single photonic mode in a cavity. We contrast this collective model ("Dicke QB"), whereby entanglement is genuinely created by the common photonic mode, to the one in which each two-level system is coupled to its own separate cavity mode ("Rabi QB"). By employing exact diagonalization, we demonstrate the emergence of a quantum advantage in the charging power of Dicke QBs, which scales like √{N } for N ≫1 .

BFV quantization on hermitian symmetric spaces

NASA Astrophysics Data System (ADS)

Fradkin, E. S.; Linetsky, V. Ya.

1995-02-01

Gauge-invariant BFV approach to geometric quantization is applied to the case of hermitian symmetric spaces G/ H. In particular, gauge invariant quantization on the Lobachevski plane and sphere is carried out. Due to the presence of symmetry, master equations for the first-class constraints, quantum observables and physical quantum states are exactly solvable. BFV-BRST operator defines a flat G-connection in the Fock bundle over G/ H. Physical quantum states are covariantly constant sections with respect to this connection and are shown to coincide with the generalized coherent states for the group G. Vacuum expectation values of the quantum observables commuting with the quantum first-class constraints reduce to the covariant symbols of Berezin. The gauge-invariant approach to quantization on symplectic manifolds synthesizes geometric, deformation and Berezin quantization approaches.

Monogamy Relations of Measurement-Induced Disturbance

NASA Astrophysics Data System (ADS)

Liu, Feng; Li, Fei; Wei, Yun-Xia; Ma, Hong-Yang

2017-06-01

The standard monogamy imposes severe limitations to sharing quantum correlations in multipartite quantum systems, which is a star topology and is established by Coffman, Kundu and Wootters. In this work, we discuss some monogamy relations beyond it, and focus on the measurement-induced disturbance (MID) which quantifies the multipartite quantum correlation. We prove exactly that MID obeys the property of discarding quantum systems never increases in an arbitrary quantum state. Moreover, we define a new kind of sharper monogamy relation which shows that the sum of all bipartite MID can not exceed the amount of total MID. This restriction is similarly called a mesh monogamy. We numerically study how MID is distributed in a 4-qubit mixed state, and which relation exists between the mesh monogamy of MID and the level of obeying the standard monogamy.

Exact Solutions for Nonlinear Development of a Kelvin-Helmholtz Instability for the Counterflow of Superfluid and Normal Components of Helium II.

PubMed

Lushnikov, Pavel M; Zubarev, Nikolay M

2018-05-18

Relative motion of the normal and superfluid components of helium II results in the quantum Kelvin-Helmholtz instability (KHI) at their common free surface. We found the integrability and exact growing solutions for the nonlinear stage of the development of that instability. Contrary to the usual KHI of the interface between two classical fluids, the dynamics of a helium II free surface allows reduction to the Laplace growth equation, which has an infinite number of exact solutions, including the generic formation of sharp cusps at the free surface in a finite time.

Exact Solutions for Nonlinear Development of a Kelvin-Helmholtz Instability for the Counterflow of Superfluid and Normal Components of Helium II

NASA Astrophysics Data System (ADS)

Lushnikov, Pavel M.; Zubarev, Nikolay M.

2018-05-01

Relative motion of the normal and superfluid components of helium II results in the quantum Kelvin-Helmholtz instability (KHI) at their common free surface. We found the integrability and exact growing solutions for the nonlinear stage of the development of that instability. Contrary to the usual KHI of the interface between two classical fluids, the dynamics of a helium II free surface allows reduction to the Laplace growth equation, which has an infinite number of exact solutions, including the generic formation of sharp cusps at the free surface in a finite time.

The effect of sampling techniques used in the multiconfigurational Ehrenfest method

NASA Astrophysics Data System (ADS)

Symonds, C.; Kattirtzi, J. A.; Shalashilin, D. V.

2018-05-01

In this paper, we compare and contrast basis set sampling techniques recently developed for use in the ab initio multiple cloning method, a direct dynamics extension to the multiconfigurational Ehrenfest approach, used recently for the quantum simulation of ultrafast photochemistry. We demonstrate that simultaneous use of basis set cloning and basis function trains can produce results which are converged to the exact quantum result. To demonstrate this, we employ these sampling methods in simulations of quantum dynamics in the spin boson model with a broad range of parameters and compare the results to accurate benchmarks.

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.

Vector-mean-field theory of the fractional quantum Hall effect

NASA Astrophysics Data System (ADS)

Rejaei, B.; Beenakker, C. W. J.

1992-12-01

A mean-field theory of the fractional quantum Hall effect is formulated based on the adiabatic principle of Greiter and Wilczek. The theory is tested on known bulk properties (excitation gap, fractional charge, and statistics), and then applied to a confined region in a two-dimensional electron gas (quantum dot). For a small number N of electrons in the dot, the exact ground-state energy has cusps at the same angular momentum values as the mean-field theory. For large N, Wen's algebraic decay of the probability for resonant tunneling through the dot is reproduced, albeit with a different exponent.

The effect of sampling techniques used in the multiconfigurational Ehrenfest method.

PubMed

Symonds, C; Kattirtzi, J A; Shalashilin, D V

2018-05-14

In this paper, we compare and contrast basis set sampling techniques recently developed for use in the ab initio multiple cloning method, a direct dynamics extension to the multiconfigurational Ehrenfest approach, used recently for the quantum simulation of ultrafast photochemistry. We demonstrate that simultaneous use of basis set cloning and basis function trains can produce results which are converged to the exact quantum result. To demonstrate this, we employ these sampling methods in simulations of quantum dynamics in the spin boson model with a broad range of parameters and compare the results to accurate benchmarks.

FAST TRACK COMMUNICATION: A Temperley-Lieb quantum chain with two- and three-site interactions

NASA Astrophysics Data System (ADS)

Ikhlef, Y.; Jacobsen, J. L.; Saleur, H.

2009-07-01

We study the phase diagram of a quantum chain of spin-1/2 particles whose world lines form a dense loop gas with loop weight n. In addition to the usual two-site interaction corresponding to the XXZ spin chain, we introduce a three-site interaction. The resulting model contains a Majumdar-Ghosh-like gapped phase and a new integrable point, which we solve exactly. We also locate a critical line realizing dilute O(n) criticality, without introducing explicit dilution in the loops. Our results have implications for anisotropic spin chains, as well as anyonic quantum chains.

Probing quantum gravity through exactly soluble midi-superspaces I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ashtekar, A.; Pierri, M.

1996-12-01

It is well-known that the Einstein-Rosen solutions to the 3+1- dimensional vacuum Einstein{close_quote}s equations are in one to one correspondence with solutions of 2+1-dimensional general relativity coupled to axi-symmetric, zero rest mass scalar fields. We first re-examine the quantization of this midi-superspace paying special attention to the asymptotically flat boundary conditions and to certain functional analytic subtleties associated with regularization. We then use the resulting quantum theory to analyze several conceptual and technical issues of quantum gravity. {copyright} {ital 1996 American Institute of Physics.}

Fully adaptive propagation of the quantum-classical Liouville equation

NASA Astrophysics Data System (ADS)

Horenko, Illia; Weiser, Martin; Schmidt, Burkhard; Schütte, Christof

2004-05-01

In mixed quantum-classical molecular dynamics few but important degrees of freedom of a dynamical system are modeled quantum-mechanically while the remaining ones are treated within the classical approximation. Rothe methods established in the theory of partial differential equations are used to control both temporal and spatial discretization errors on grounds of a global tolerance criterion. The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. 24, 1921 (2003)] has been extended to account for nonadiabatic effects in molecular dynamics described by the quantum-classical Liouville equation. In the context of particle methods, the quality of the spatial approximation of the phase-space distributions is maximized while the numerical condition of the least-squares problem for the parameters of particles is minimized. The resulting dynamical scheme is based on a simultaneous propagation of moving particles (Gaussian and Dirac deltalike trajectories) in phase space employing a fully adaptive strategy to upgrade Dirac to Gaussian particles and, vice versa, downgrading Gaussians to Dirac-type trajectories. This allows for the combination of Monte-Carlo-based strategies for the sampling of densities and coherences in multidimensional problems with deterministic treatment of nonadiabatic effects. Numerical examples demonstrate the application of the method to spin-boson systems in different dimensionality. Nonadiabatic effects occurring at conical intersections are treated in the diabatic representation. By decreasing the global tolerance, the numerical solution obtained from the TRAIL scheme are shown to converge towards exact results.

Fully adaptive propagation of the quantum-classical Liouville equation.

PubMed

Horenko, Illia; Weiser, Martin; Schmidt, Burkhard; Schütte, Christof

2004-05-15

In mixed quantum-classical molecular dynamics few but important degrees of freedom of a dynamical system are modeled quantum-mechanically while the remaining ones are treated within the classical approximation. Rothe methods established in the theory of partial differential equations are used to control both temporal and spatial discretization errors on grounds of a global tolerance criterion. The TRAIL (trapezoidal rule for adaptive integration of Liouville dynamics) scheme [I. Horenko and M. Weiser, J. Comput. Chem. 24, 1921 (2003)] has been extended to account for nonadiabatic effects in molecular dynamics described by the quantum-classical Liouville equation. In the context of particle methods, the quality of the spatial approximation of the phase-space distributions is maximized while the numerical condition of the least-squares problem for the parameters of particles is minimized. The resulting dynamical scheme is based on a simultaneous propagation of moving particles (Gaussian and Dirac deltalike trajectories) in phase space employing a fully adaptive strategy to upgrade Dirac to Gaussian particles and, vice versa, downgrading Gaussians to Dirac-type trajectories. This allows for the combination of Monte-Carlo-based strategies for the sampling of densities and coherences in multidimensional problems with deterministic treatment of nonadiabatic effects. Numerical examples demonstrate the application of the method to spin-boson systems in different dimensionality. Nonadiabatic effects occurring at conical intersections are treated in the diabatic representation. By decreasing the global tolerance, the numerical solution obtained from the TRAIL scheme are shown to converge towards exact results.

Fock space, symbolic algebra, and analytical solutions for small stochastic systems.

PubMed

Santos, Fernando A N; Gadêlha, Hermes; Gaffney, Eamonn A

2015-12-01

Randomness is ubiquitous in nature. From single-molecule biochemical reactions to macroscale biological systems, stochasticity permeates individual interactions and often regulates emergent properties of the system. While such systems are regularly studied from a modeling viewpoint using stochastic simulation algorithms, numerous potential analytical tools can be inherited from statistical and quantum physics, replacing randomness due to quantum fluctuations with low-copy-number stochasticity. Nevertheless, classical studies remained limited to the abstract level, demonstrating a more general applicability and equivalence between systems in physics and biology rather than exploiting the physics tools to study biological systems. Here the Fock space representation, used in quantum mechanics, is combined with the symbolic algebra of creation and annihilation operators to consider explicit solutions for the chemical master equations describing small, well-mixed, biochemical, or biological systems. This is illustrated with an exact solution for a Michaelis-Menten single enzyme interacting with limited substrate, including a consideration of very short time scales, which emphasizes when stiffness is present even for small copy numbers. Furthermore, we present a general matrix representation for Michaelis-Menten kinetics with an arbitrary number of enzymes and substrates that, following diagonalization, leads to the solution of this ubiquitous, nonlinear enzyme kinetics problem. For this, a flexible symbolic maple code is provided, demonstrating the prospective advantages of this framework compared to stochastic simulation algorithms. This further highlights the possibilities for analytically based studies of stochastic systems in biology and chemistry using tools from theoretical quantum physics.

Theory of ground state factorization in quantum cooperative systems.

PubMed

Giampaolo, Salvatore M; Adesso, Gerardo; Illuminati, Fabrizio

2008-05-16

We introduce a general analytic approach to the study of factorization points and factorized ground states in quantum cooperative systems. The method allows us to determine rigorously the existence, location, and exact form of separable ground states in a large variety of, generally nonexactly solvable, spin models belonging to different universality classes. The theory applies to translationally invariant systems, irrespective of spatial dimensionality, and for spin-spin interactions of arbitrary range.

Perturbation approach for nuclear magnetic resonance solid-state quantum computation

DOE PAGES

Berman, G. P.; Kamenev, D. I.; Tsifrinovich, V. I.

2003-01-01

A dynmore » amics of a nuclear-spin quantum computer with a large number ( L = 1000 ) of qubits is considered using a perturbation approach. Small parameters are introduced and used to compute the error in an implementation of an entanglement between remote qubits, using a sequence of radio-frequency pulses. The error is computed up to the different orders of the perturbation theory and tested using exact numerical solution.« less

Undergraduate quantum mechanics: lost opportunities for engaging motivated students?

NASA Astrophysics Data System (ADS)

Johansson, Anders

2018-03-01

Quantum mechanics is widely recognised as an important and difficult subject, and many studies have been published focusing on students’ conceptual difficulties. However, the sociocultural aspects of studying such an emblematic subject have not been researched to any large extent. This study explores students’ experiences of undergraduate quantum mechanics using qualitative analysis of semi-structured interview data. The results inform discussions about the teaching of quantum mechanics by adding a sociocultural dimension. Students pictured quantum mechanics as an intriguing subject that inspired them to study physics. The study environment they encountered when taking their first quantum mechanics course was however not always as inspiring as expected. Quantum mechanics instruction has commonly focused on the mathematical framework of quantum mechanics, and this kind of teaching was also what the interviewees had experienced. Two ways of handling the encounter with a traditional quantum mechanics course were identified in the interviews; either students accept the practice of studying quantum mechanics in a mathematical, exercise-centred way or they distance themselves from these practices and the subject. The students who responded by distancing themselves experienced a crisis and disappointment, where their experiences did not match the way they imagined themselves engaging with quantum mechanics. The implications of these findings are discussed in relation to efforts to reform the teaching of undergraduate quantum mechanics.

Mutual information and spontaneous symmetry breaking

NASA Astrophysics Data System (ADS)

Hamma, A.; Giampaolo, S. M.; Illuminati, F.

2016-01-01

We show that the metastable, symmetry-breaking ground states of quantum many-body Hamiltonians have vanishing quantum mutual information between macroscopically separated regions and are thus the most classical ones among all possible quantum ground states. This statement is obvious only when the symmetry-breaking ground states are simple product states, e.g., at the factorization point. On the other hand, symmetry-breaking states are in general entangled along the entire ordered phase, and to show that they actually feature the least macroscopic correlations compared to their symmetric superpositions is highly nontrivial. We prove this result in general, by considering the quantum mutual information based on the two-Rényi entanglement entropy and using a locality result stemming from quasiadiabatic continuation. Moreover, in the paradigmatic case of the exactly solvable one-dimensional quantum X Y model, we further verify the general result by considering also the quantum mutual information based on the von Neumann entanglement entropy.

Quantum gates by periodic driving

PubMed Central

Shi, Z. C.; Wang, W.; Yi, X. X.

2016-01-01

Topological quantum computation has been extensively studied in the past decades due to its robustness against decoherence. One way to realize the topological quantum computation is by adiabatic evolutions—it requires relatively long time to complete a gate, so the speed of quantum computation slows down. In this work, we present a method to realize single qubit quantum gates by periodic driving. Compared to adiabatic evolution, the single qubit gates can be realized at a fixed time much shorter than that by adiabatic evolution. The driving fields can be sinusoidal or square-well field. With the sinusoidal driving field, we derive an expression for the total operation time in the high-frequency limit, and an exact analytical expression for the evolution operator without any approximations is given for the square well driving. This study suggests that the period driving could provide us with a new direction in regulations of the operation time in topological quantum computation. PMID:26911900

Quantum gates by periodic driving.

PubMed

Shi, Z C; Wang, W; Yi, X X

2016-02-25

Topological quantum computation has been extensively studied in the past decades due to its robustness against decoherence. One way to realize the topological quantum computation is by adiabatic evolutions-it requires relatively long time to complete a gate, so the speed of quantum computation slows down. In this work, we present a method to realize single qubit quantum gates by periodic driving. Compared to adiabatic evolution, the single qubit gates can be realized at a fixed time much shorter than that by adiabatic evolution. The driving fields can be sinusoidal or square-well field. With the sinusoidal driving field, we derive an expression for the total operation time in the high-frequency limit, and an exact analytical expression for the evolution operator without any approximations is given for the square well driving. This study suggests that the period driving could provide us with a new direction in regulations of the operation time in topological quantum computation.

Ground-state information geometry and quantum criticality in an inhomogeneous spin model

NASA Astrophysics Data System (ADS)

Ma, Yu-Quan

2015-09-01

We investigate the ground-state Riemannian metric and the cyclic quantum distance of an inhomogeneous quantum spin-1/2 chain in a transverse field. This model can be diagonalized by using a general canonical transformation to the fermionic Hamiltonian mapped from the spin system. The ground-state Riemannian metric is derived exactly on a parameter manifold ring S1, which is introduced by performing a gauge transformation to the spin Hamiltonian through a twist operator. The cyclic ground-state quantum distance and the second derivative of the ground-state energy are studied in different exchange coupling parameter regions. Particularly, we show that, in the case of exchange coupling parameter Ja = Jb, the quantum ferromagnetic phase can be characterized by an invariant quantum distance and this distance will decay to zero rapidly in the paramagnetic phase. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404023 and 11347131).

Tuning quantum measurements to control chaos.

PubMed

Eastman, Jessica K; Hope, Joseph J; Carvalho, André R R

2017-03-20

Environment-induced decoherence has long been recognised as being of crucial importance in the study of chaos in quantum systems. In particular, the exact form and strength of the system-environment interaction play a major role in the quantum-to-classical transition of chaotic systems. In this work we focus on the effect of varying monitoring strategies, i.e. for a given decoherence model and a fixed environmental coupling, there is still freedom on how to monitor a quantum system. We show here that there is a region between the deep quantum regime and the classical limit where the choice of the monitoring parameter allows one to control the complex behaviour of the system, leading to either the emergence or suppression of chaos. Our work shows that this is a result from the interplay between quantum interference effects induced by the nonlinear dynamics and the effectiveness of the decoherence for different measurement schemes.

A Biomimetic-Computational Approach to Optimizing the Quantum Efficiency of Photovoltaics

NASA Astrophysics Data System (ADS)

Perez, Lisa M.; Holzenburg, Andreas

The most advanced low-cost organic photovoltaic cells have a quantum efficiency of 10%. This is in stark contrast to plant/bacterial light-harvesting systems which offer quantum efficiencies close to unity. Of particular interest is the highly effective quantum coherence-enabled energy transfer (Fig. 1). Noting that quantum coherence is promoted by charged residues and local dielectrics, classical atomistic simulations and time-dependent density functional theory (DFT) are used to identify charge/dielectric patterns and electronic coupling at exactly defined energy transfer interfaces. The calculations make use of structural information obtained on photosynthetic protein-pigment complexes while still in the native membrane making it possible to establish a link between supramolecular organization and quantum coherence in terms of what length scales enable fast energy transport and prevent quenching. Calculating energy transfer efficiencies between components based on different proximities will permit the search for patterns that enable defining material properties suitable for advanced photovoltaics.

Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

NASA Astrophysics Data System (ADS)

Smith, Brendan; Akimov, Alexey V.

2018-04-01

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

Quantum coding with finite resources.

PubMed

Tomamichel, Marco; Berta, Mario; Renes, Joseph M

2016-05-09

The quantum capacity of a memoryless channel determines the maximal rate at which we can communicate reliably over asymptotically many uses of the channel. Here we illustrate that this asymptotic characterization is insufficient in practical scenarios where decoherence severely limits our ability to manipulate large quantum systems in the encoder and decoder. In practical settings, we should instead focus on the optimal trade-off between three parameters: the rate of the code, the size of the quantum devices at the encoder and decoder, and the fidelity of the transmission. We find approximate and exact characterizations of this trade-off for various channels of interest, including dephasing, depolarizing and erasure channels. In each case, the trade-off is parameterized by the capacity and a second channel parameter, the quantum channel dispersion. In the process, we develop several bounds that are valid for general quantum channels and can be computed for small instances.

Quantum coding with finite resources

PubMed Central

Tomamichel, Marco; Berta, Mario; Renes, Joseph M.

2016-01-01

The quantum capacity of a memoryless channel determines the maximal rate at which we can communicate reliably over asymptotically many uses of the channel. Here we illustrate that this asymptotic characterization is insufficient in practical scenarios where decoherence severely limits our ability to manipulate large quantum systems in the encoder and decoder. In practical settings, we should instead focus on the optimal trade-off between three parameters: the rate of the code, the size of the quantum devices at the encoder and decoder, and the fidelity of the transmission. We find approximate and exact characterizations of this trade-off for various channels of interest, including dephasing, depolarizing and erasure channels. In each case, the trade-off is parameterized by the capacity and a second channel parameter, the quantum channel dispersion. In the process, we develop several bounds that are valid for general quantum channels and can be computed for small instances. PMID:27156995

On the Compton scattering redistribution function in plasma

NASA Astrophysics Data System (ADS)

Madej, J.; Różańska, A.; Majczyna, A.; Należyty, M.

2017-08-01

Compton scattering is the dominant opacity source in hot neutron stars, accretion discs around black holes and hot coronae. We collected here a set of numerical expressions of the Compton scattering redistribution functions (RFs) for unpolarized radiation, which are more exact than the widely used Kompaneets equation. The principal aim of this paper is the presentation of the RF by Guilbert, which is corrected for the computational errors in the original paper. This corrected RF was used in the series of papers on model atmosphere computations of hot neutron stars. We have also organized four existing algorithms for the RF computations into a unified form ready to use in radiative transfer and model atmosphere codes. The exact method by Nagirner & Poutanen was numerically compared to all other algorithms in a very wide spectral range from hard X-rays to radio waves. Sample computations of the Compton scattering RFs in thermal plasma were done for temperatures corresponding to the atmospheres of bursting neutron stars and hot intergalactic medium. Our formulae are also useful to study the Compton scattering of unpolarized microwave background radiation in hot intracluster gas and the Sunyaev-Zeldovich effect. We conclude that the formulae by Guilbert and the exact quantum mechanical formulae yield practically the same RFs for gas temperatures relevant to the atmospheres of X-ray bursting neutron stars, T ≤ 108 K.

Regularized linearization for quantum nonlinear optical cavities: application to degenerate optical parametric oscillators.

PubMed

Navarrete-Benlloch, Carlos; Roldán, Eugenio; Chang, Yue; Shi, Tao

2014-10-06

Nonlinear optical cavities are crucial both in classical and quantum optics; in particular, nowadays optical parametric oscillators are one of the most versatile and tunable sources of coherent light, as well as the sources of the highest quality quantum-correlated light in the continuous variable regime. Being nonlinear systems, they can be driven through critical points in which a solution ceases to exist in favour of a new one, and it is close to these points where quantum correlations are the strongest. The simplest description of such systems consists in writing the quantum fields as the classical part plus some quantum fluctuations, linearizing then the dynamical equations with respect to the latter; however, such an approach breaks down close to critical points, where it provides unphysical predictions such as infinite photon numbers. On the other hand, techniques going beyond the simple linear description become too complicated especially regarding the evaluation of two-time correlators, which are of major importance to compute observables outside the cavity. In this article we provide a regularized linear description of nonlinear cavities, that is, a linearization procedure yielding physical results, taking the degenerate optical parametric oscillator as the guiding example. The method, which we call self-consistent linearization, is shown to be equivalent to a general Gaussian ansatz for the state of the system, and we compare its predictions with those obtained with available exact (or quasi-exact) methods. Apart from its operational value, we believe that our work is valuable also from a fundamental point of view, especially in connection to the question of how far linearized or Gaussian theories can be pushed to describe nonlinear dissipative systems which have access to non-Gaussian states.

Ultrafast exciton migration in an HJ-aggregate: Potential surfaces and quantum dynamics

NASA Astrophysics Data System (ADS)

Binder, Robert; Polkehn, Matthias; Ma, Tianji; Burghardt, Irene

2017-01-01

Quantum dynamical and electronic structure calculations are combined to investigate the mechanism of exciton migration in an oligothiophene HJ aggregate, i.e., a combination of oligomer chains (J-type aggregates) and stacked aggregates of such chains (H-type aggregates). To this end, a Frenkel exciton model is parametrized by a recently introduced procedure [Binder et al., J. Chem. Phys. 141, 014101 (2014)] which uses oligomer excited-state calculations to perform an exact, point-wise mapping of coupled potential energy surfaces to an effective Frenkel model. Based upon this parametrization, the Multi-Layer Multi-Configuration Time-Dependent Hartree (ML-MCTDH) method is employed to investigate ultrafast dynamics of exciton transfer in a small, asymmetric HJ aggregate model composed of 30 sites and 30 active modes. For a partially delocalized initial condition, it is shown that a torsional defect confines the trapped initial exciton, and planarization induces an ultrafast resonant transition between an HJ-aggregated segment and a covalently bound "dangling chain" end. This model is a minimal realization of experimentally investigated mixed systems exhibiting ultrafast exciton transfer between aggregated, highly planarized chains and neighboring disordered segments.

Modelling excitonic-energy transfer in light-harvesting complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kramer, Tobias; Kreisbeck, Christoph

The theoretical and experimental study of energy transfer in photosynthesis has revealed an interesting transport regime, which lies at the borderline between classical transport dynamics and quantum-mechanical interference effects. Dissipation is caused by the coupling of electronic degrees of freedom to vibrational modes and leads to a directional energy transfer from the antenna complex to the target reaction-center. The dissipative driving is robust and does not rely on fine-tuning of specific vibrational modes. For the parameter regime encountered in the biological systems new theoretical tools are required to directly compare theoretical results with experimental spectroscopy data. The calculations require tomore » utilize massively parallel graphics processor units (GPUs) for efficient and exact computations.« less

Bound and continuum energy distributions of nuclear fragments resulting from tunneling ionization of molecules

NASA Astrophysics Data System (ADS)

Svensmark, Jens; Tolstikhin, Oleg I.; Madsen, Lars Bojer

2018-03-01

We present the theory of tunneling ionization of molecules with both electronic and nuclear motion treated quantum mechanically. The theory provides partial rates for ionization into the different final states of the molecular ion, including both bound vibrational and dissociative channels. The exact results obtained for a one-dimensional model of H2 and D2 are compared with two approximate approaches, the weak-field asymptotic theory and the Born-Oppenheimer approximation. The validity ranges and compatibility of the approaches are identified formally and illustrated by the calculations. The results quantify that at typical field strengths considered in strong-field physics, it is several orders of magnitude more likely to ionize into bound vibrational ionic channels than into the dissociative channel.

Higher-harmonic collective modes in a trapped gas from second-order hydrodynamics

DOE PAGES

Lewis, William E.; Romatschke, P.

2017-02-21

Utilizing a second-order hydrodynamics formalism, the dispersion relations for the frequencies and damping rates of collective oscillations as well as spatial structure of these modes up to the decapole oscillation in both two- and three- dimensional gas geometries are calculated. In addition to higher-order modes, the formalism also gives rise to purely damped "non-hydrodynamic" modes. We calculate the amplitude of the various modes for both symmetric and asymmetric trap quenches, finding excellent agreement with an exact quantum mechanical calculation. Furthermore, we find that higher-order hydrodynamic modes are more sensitive to the value of shear viscosity, which may be of interestmore » for the precision extraction of transport coefficients in Fermi gas systems.« less

Higher-harmonic collective modes in a trapped gas from second-order hydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewis, William E.; Romatschke, P.

Utilizing a second-order hydrodynamics formalism, the dispersion relations for the frequencies and damping rates of collective oscillations as well as spatial structure of these modes up to the decapole oscillation in both two- and three- dimensional gas geometries are calculated. In addition to higher-order modes, the formalism also gives rise to purely damped "non-hydrodynamic" modes. We calculate the amplitude of the various modes for both symmetric and asymmetric trap quenches, finding excellent agreement with an exact quantum mechanical calculation. Furthermore, we find that higher-order hydrodynamic modes are more sensitive to the value of shear viscosity, which may be of interestmore » for the precision extraction of transport coefficients in Fermi gas systems.« less

Dynamical stability of Fe-H in the Earth's mantle and core regions.

PubMed

Isaev, Eyvaz I; Skorodumova, Natalia V; Ahuja, Rajeev; Vekilov, Yuri K; Johansson, Börje

2007-05-29

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp --> hcp --> fcc sequence of structural transitions.

High-Pressure Geoscience Special Feature: Dynamical stability of Fe-H in the Earth's mantle and core regions

NASA Astrophysics Data System (ADS)

Isaev, Eyvaz I.; Skorodumova, Natalia V.; Ahuja, Rajeev; Vekilov, Yuri K.; Johansson, Börje

2007-05-01

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp → hcp → fcc sequence of structural transitions.

Dynamical stability of Fe-H in the Earth's mantle and core regions

PubMed Central

Isaev, Eyvaz I.; Skorodumova, Natalia V.; Ahuja, Rajeev; Vekilov, Yuri K.; Johansson, Börje

2007-01-01

The core extends from the depth of 2,900 km to the center of the Earth and is composed mainly of an iron-rich alloy with nickel, with 10% of the mass comprised of lighter elements like hydrogen, but the exact composition is uncertain. We present a quantum mechanical first-principles study of the dynamical stability of FeH phases and their phonon densities of states at high pressure. Our free-energy calculations reveal a phonon-driven stabilization of dhcp FeH at low pressures, thus resolving the present contradiction between experimental observations and theoretical predictions. Calculations reveal a complex phase diagram for FeH under pressure with a dhcp → hcp → fcc sequence of structural transitions. PMID:17483486

The Dirac-Moshinsky oscillator coupled to an external field and its connection to quantum optics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Torres, Juan Mauricio; Sadurni, Emerson; Seligman, Thomas H.

2010-12-23

The Dirac-Moshinsky oscillator is an elegant example of an exactly solvable quantum relativistic model that under certain circumstances can be mapped onto the Jaynes-Cummings model in quantum optics. In this work we show, how to do this in detail. Then we extend it by considering its coupling with an external (isospin) field and find the conditions that maintain solvability. We use this extended system to explore entanglement in relativistic systems and then identify its quantum optical analog: two different atoms interacting with an electromagnetic mode. We show different aspects of entanglement which gain relevance in this last system, which canmore » be used to emulate the former.« less

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Criticality in the quantum kicked rotor with a smooth potential.

PubMed

Dutta, Rina; Shukla, Pragya

2008-09-01

We investigate the possibility of an Anderson-type transition in the quantum kicked rotor with a smooth potential due to dynamical localization of the wave functions. Our results show the typical characteristics of a critical behavior, i.e., multifractal eigenfunctions and a scale-invariant level statistics at a critical kicking strength which classically corresponds to a mixed regime. This indicates the existence of a localization to delocalization transition in the quantum kicked rotor. Our study also reveals the possibility of other types of transition in the quantum kicked rotor, with a kicking strength well within the strongly chaotic regime. These transitions, driven by the breaking of exact symmetries, e.g., time reversal and parity, are similar to weak-localization transitions in disordered metals.