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Sample records for quantum mechanical hamiltonian

  1. Geometric Hamiltonian quantum mechanics and applications

    NASA Astrophysics Data System (ADS)

    Pastorello, Davide

    2016-08-01

    Adopting a geometric point of view on Quantum Mechanics is an intriguing idea since, we know that geometric methods are very powerful in Classical Mechanics then, we can try to use them to study quantum systems. In this paper, we summarize the construction of a general prescription to set up a well-defined and self-consistent geometric Hamiltonian formulation of finite-dimensional quantum theories, where phase space is given by the Hilbert projective space (as Kähler manifold), in the spirit of celebrated works of Kibble, Ashtekar and others. Within geometric Hamiltonian formulation quantum observables are represented by phase space functions, quantum states are described by Liouville densities (phase space probability densities), and Schrödinger dynamics is induced by a Hamiltonian flow on the projective space. We construct the star-product of this phase space formulation and some applications of geometric picture are discussed.

  2. Quantum mechanical hamiltonian models of turing machines

    NASA Astrophysics Data System (ADS)

    Benioff, Paul

    1982-11-01

    Quantum mechanical Hamiltonian models, which represent an aribtrary but finite number of steps of any Turing machine computation, are constructed here on a finite lattice of spin-1/2 systems. Different regions of the lattice correspond to different components of the Turing machine (plus recording system). Successive states of any machine computation are represented in the model by spin configuration states. Both time-independent and time-dependent Hamiltonian models are constructed here. The time-independent models do not dissipate energy or degrade the system state as they evolve. They operate close to the quantum limit in that the total system energy uncertainty/computation speed is close to the limit given by the time-energy uncertainty relation. However, the model evolution is time global and the Hamiltonian is more complex. The time-dependent models do not degrade the system state. Also they are time local and the Hamiltonian is less complex.

  3. Quantum mechanics/molecular mechanics dual Hamiltonian free energy perturbation

    NASA Astrophysics Data System (ADS)

    Polyak, Iakov; Benighaus, Tobias; Boulanger, Eliot; Thiel, Walter

    2013-08-01

    The dual Hamiltonian free energy perturbation (DH-FEP) method is designed for accurate and efficient evaluation of the free energy profile of chemical reactions in quantum mechanical/molecular mechanical (QM/MM) calculations. In contrast to existing QM/MM FEP variants, the QM region is not kept frozen during sampling, but all degrees of freedom except for the reaction coordinate are sampled. In the DH-FEP scheme, the sampling is done by semiempirical QM/MM molecular dynamics (MD), while the perturbation energy differences are evaluated from high-level QM/MM single-point calculations at regular intervals, skipping a pre-defined number of MD sampling steps. After validating our method using an analytic model potential with an exactly known solution, we report a QM/MM DH-FEP study of the enzymatic reaction catalyzed by chorismate mutase. We suggest guidelines for QM/MM DH-FEP calculations and default values for the required computational parameters. In the case of chorismate mutase, we apply the DH-FEP approach in combination with a single one-dimensional reaction coordinate and with a two-dimensional collective coordinate (two individual distances), with superior results for the latter choice.

  4. Supersymmetric descendants of self-adjointly extended quantum mechanical Hamiltonians

    NASA Astrophysics Data System (ADS)

    Al-Hashimi, M. H.; Salman, M.; Shalaby, A.; Wiese, U.-J.

    2013-10-01

    We consider the descendants of self-adjointly extended Hamiltonians in supersymmetric quantum mechanics on a half-line, on an interval, and on a punctured line or interval. While there is a 4-parameter family of self-adjointly extended Hamiltonians on a punctured line, only a 3-parameter sub-family has supersymmetric descendants that are themselves self-adjoint. We also address the self-adjointness of an operator related to the supercharge, and point out that only a sub-class of its most general self-adjoint extensions is physical. Besides a general characterization of self-adjoint extensions and their supersymmetric descendants, we explicitly consider concrete examples, including a particle in a box with general boundary conditions, with and without an additional point interaction. We also discuss bulk-boundary resonances and their manifestation in the supersymmetric descendant.

  5. Supersymmetric descendants of self-adjointly extended quantum mechanical Hamiltonians

    SciTech Connect

    Al-Hashimi, M.H.; Salman, M.; Shalaby, A.; Wiese, U.-J.

    2013-10-15

    We consider the descendants of self-adjointly extended Hamiltonians in supersymmetric quantum mechanics on a half-line, on an interval, and on a punctured line or interval. While there is a 4-parameter family of self-adjointly extended Hamiltonians on a punctured line, only a 3-parameter sub-family has supersymmetric descendants that are themselves self-adjoint. We also address the self-adjointness of an operator related to the supercharge, and point out that only a sub-class of its most general self-adjoint extensions is physical. Besides a general characterization of self-adjoint extensions and their supersymmetric descendants, we explicitly consider concrete examples, including a particle in a box with general boundary conditions, with and without an additional point interaction. We also discuss bulk-boundary resonances and their manifestation in the supersymmetric descendant. -- Highlights: •Self-adjoint extension theory and contact interactions. •Application of self-adjoint extensions to supersymmetry. •Contact interactions in finite volume with Robin boundary condition.

  6. Multidimensional supersymmetric quantum mechanics: spurious states for the tensor sector two Hamiltonian.

    PubMed

    Chou, Chia-Chun; Kouri, Donald J

    2013-04-25

    We show that there exist spurious states for the sector two tensor Hamiltonian in multidimensional supersymmetric quantum mechanics. For one-dimensional supersymmetric quantum mechanics on an infinite domain, the sector one and two Hamiltonians have identical spectra with the exception of the ground state of the sector one. For tensorial multidimensional supersymmetric quantum mechanics, there exist normalizable spurious states for the sector two Hamiltonian with energy equal to the ground state energy of the sector one. These spurious states are annihilated by the adjoint charge operator, and hence, they do not correspond to physical states for the original Hamiltonian. The Hermitian property of the sector two Hamiltonian implies the orthogonality between spurious and physical states. In addition, we develop a method for construction of a specific form of the spurious states for any quantum system and also generate several spurious states for a two-dimensional anharmonic oscillator system and for the hydrogen atom.

  7. On the quantum mechanics of bicomplex Hamiltonian system

    NASA Astrophysics Data System (ADS)

    Banerjee, Abhijit

    2017-02-01

    We investigate the Schrödinger equation in the framework of bicomplex numbers, which are pairs of complex numbers making up a commutative ring with zero-divisors. We propose an analytical method to solve bicomplex-version of Schrödinger equation corresponding to the systems of Hamiltonians of both hermitian (self-adjoint) and non-hermitian PT symmetric type. In our approach we extend the existing mathematical formulation of quantum system searching for the exact or quasi-exact solution for ground state energy eigenvalues and associated wave functions acting in bicomplex Hilbert space. The model concerning hermitian Hamiltonians is then applied to the problems of two bicomplex valued polynomial oscillators one involving x2 and another of isotonic type. The ground states and associated energy values for both the oscillators are found to be hyperbolic in nature. The model in connection to the unbroken PT symmetric Hamiltonians is then applied to illustrate the problems of complex and bicomplex valued shifted oscillators.

  8. Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach.

    PubMed

    Liu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao

    2013-09-10

    Accurate computation of the pKa value of a compound in solution is important but challenging. Here, a new mixing quantum mechanical/molecular mechanical (QM/MM) Hamiltonian method is developed to simulate the free-energy change associated with the protonation/deprotonation processes in solution. The mixing Hamiltonian method is designed for efficient quantum mechanical free-energy simulations by alchemically varying the nuclear potential, i.e., the nuclear charge of the transforming nucleus. In pKa calculation, the charge on the proton is varied in fraction between 0 and 1, corresponding to the fully deprotonated and protonated states, respectively. Inspired by the mixing potential QM/MM free energy simulation method developed previously [H. Hu and W. T. Yang, J. Chem. Phys. 2005, 123, 041102], this method succeeds many advantages of a large class of λ-coupled free-energy simulation methods and the linear combination of atomic potential approach. Theory and technique details of this method, along with the calculation results of the pKa of methanol and methanethiol molecules in aqueous solution, are reported. The results show satisfactory agreement with the experimental data.

  9. Frame functions in finite-dimensional quantum mechanics and its Hamiltonian formulation on complex projective spaces

    NASA Astrophysics Data System (ADS)

    Moretti, Valter; Pastorello, Davide

    2016-12-01

    This work concerns some issues about the interplay of standard and geometric (Hamiltonian) approaches to finite-dimensional quantum mechanics, formulated in the projective space. Our analysis relies upon the notion and the properties of so-called frame functions, introduced by Gleason to prove his celebrated theorem. In particular, the problem of associating quantum states with positive Liouville densities is tackled from an axiomatic point of view, proving a theorem classifying all possible correspondences. A similar result is established for classical-like observables (i.e. real scalar functions on the projective space) representing quantum ones. These correspondences turn out to be encoded in a one-parameter class and, in both cases, the classical-like objects representing quantum ones result to be frame functions. The requirements of U(n) covariance and (convex) linearity play a central role in the proof of those theorems. A new characterization of classical-like observables describing quantum observables is presented, together with a geometric description of the C∗-algebra structure of the set of quantum observables in terms of classical-like ones.

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

    SciTech Connect

    Caticha, Ariel; Bartolomeo, Daniel; Reginatto, Marcel

    2015-01-13

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

  11. Staggered quantum walks with Hamiltonians

    NASA Astrophysics Data System (ADS)

    Portugal, R.; de Oliveira, M. C.; Moqadam, J. K.

    2017-01-01

    Quantum walks are recognizably useful for the development of new quantum algorithms, as well as for the investigation of several physical phenomena in quantum systems. Actual implementations of quantum walks face technological difficulties similar to the ones for quantum computers, though. Therefore, there is a strong motivation to develop new quantum-walk models which might be easier to implement. In this work we present an extension of the staggered quantum walk model that is fitted for physical implementations in terms of time-independent Hamiltonians. We demonstrate that this class of quantum walk includes the entire class of staggered quantum walk model, Szegedy's model, and an important subset of the coined model.

  12. Optimal Hamiltonian Simulation by Quantum Signal Processing

    NASA Astrophysics Data System (ADS)

    Low, Guang Hao; Chuang, Isaac L.

    2017-01-01

    The physics of quantum mechanics is the inspiration for, and underlies, quantum computation. As such, one expects physical intuition to be highly influential in the understanding and design of many quantum algorithms, particularly simulation of physical systems. Surprisingly, this has been challenging, with current Hamiltonian simulation algorithms remaining abstract and often the result of sophisticated but unintuitive constructions. We contend that physical intuition can lead to optimal simulation methods by showing that a focus on simple single-qubit rotations elegantly furnishes an optimal algorithm for Hamiltonian simulation, a universal problem that encapsulates all the power of quantum computation. Specifically, we show that the query complexity of implementing time evolution by a d -sparse Hamiltonian H ^ for time-interval t with error ɛ is O [t d ∥H ^ ∥max+log (1 /ɛ ) /log log (1 /ɛ ) ] , which matches lower bounds in all parameters. This connection is made through general three-step "quantum signal processing" methodology, comprised of (i) transducing eigenvalues of H ^ into a single ancilla qubit, (ii) transforming these eigenvalues through an optimal-length sequence of single-qubit rotations, and (iii) projecting this ancilla with near unity success probability.

  13. Application of pseudo-Hermitian quantum mechanics to a PT-symmetric Hamiltonian with a continuum of scattering states

    NASA Astrophysics Data System (ADS)

    Mostafazadeh, Ali

    2005-10-01

    We extend the application of the techniques developed within the framework of the pseudo-Hermitian quantum mechanics to study a unitary quantum system described by an imaginary PT-symmetric potential v(x ) having a continuous real spectrum. For this potential that has recently been used, in the context of optical potentials, for modeling the propagation of electromagnetic waves traveling in a waveguide half and half filled with gain and absorbing media, we give a perturbative construction of the physical Hilbert space, observables, localized states, and the equivalent Hermitian Hamiltonian. Ignoring terms of order three or higher in the non-Hermiticity parameter ζ, we show that the equivalent Hermitian Hamiltonian has the form p2/2m+(ζ2/2)∑n =0∞{αn(x),p2n} with αn(x) vanishing outside an interval that is three times larger than the support of v(x ), i.e., in 2/3 of the physical interaction region the potential v(x ) vanishes identically. We provide a physical interpretation for this unusual behavior and comment on the classical limit of the system.

  14. Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

    PubMed

    Anisimov, Victor M; Cavasotto, Claudio N

    2011-06-23

    To build the foundation for accurate quantum mechanical (QM) simulation of biomacromolecules in an aqueous environment, we undertook the optimization of the COnductor-like Screening MOdel (COSMO) atomic radii and atomic surface tension coefficients for different semiempirical Hamiltonians adhering to the same computational conditions recently followed in the simulation of biomolecular systems. This optimization was achieved by reproducing experimental hydration free energies of a set consisting of 507 neutral and 99 ionic molecules. The calculated hydration free energies were significantly improved by introducing a multiple atomic-type scheme that reflects different chemical environments. The nonpolar contribution was treated according to the scaled particle Claverie-Pierotti formalism. Separate radii and surface tension coefficient sets have been developed for AM1, PM3, PM5, and RM1 semiempirical Hamiltonians, with an average unsigned error for neutral molecules of 0.64, 0.66, 0.73, and 0.71 kcal/mol, respectively. Free energy calculation of each molecule took on average 0.5 s on a single processor. The new sets of parameters will enhance the quality of semiempirical QM calculations using COSMO in biomolecular systems. Overall, these results further extend the utility of QM methods to chemical and biological systems in the condensed phase.

  15. A general formula for Rayleigh-Schroedinger perturbation energy utilizing a power series expansion of the quantum mechanical Hamiltonian

    SciTech Connect

    Herbert, J.M.

    1997-02-01

    Perturbation theory has long been utilized by quantum chemists as a method for approximating solutions to the Schroedinger equation. Perturbation treatments represent a system`s energy as a power series in which each additional term further corrects the total energy; it is therefore convenient to have an explicit formula for the nth-order energy correction term. If all perturbations are collected into a single Hamiltonian operator, such a closed-form expression for the nth-order energy correction is well known; however, use of a single perturbed Hamiltonian often leads to divergent energy series, while superior convergence behavior is obtained by expanding the perturbed Hamiltonian in a power series. This report presents a closed-form expression for the nth-order energy correction obtained using Rayleigh-Schroedinger perturbation theory and a power series expansion of the Hamiltonian.

  16. Universal two-body-Hamiltonian quantum computing

    NASA Astrophysics Data System (ADS)

    Nagaj, Daniel

    2012-03-01

    We present a Hamiltonian quantum-computation scheme universal for quantum computation. Our Hamiltonian is a sum of a polynomial number (in the number of gates L in the quantum circuit) of constant-norm, time-independent, two-body interaction terms. Furthermore, each qubit in the system interacts only with a constant number of other qubits in a three-layer, geometrically local layout. The computer runs in three steps—it starts in a simple initial product state, evolves according to a time-independent Hamiltonian for time of order L2 (up to logarithmic factors), and finishes with a two-qubit measurement. Our model improves previous universal two-local-Hamiltonian constructions, as it avoids using perturbation gadgets and large energy-penalty terms in the Hamiltonian, which would result in a large required run time.

  17. Compressed quantum metrology for the Ising Hamiltonian

    NASA Astrophysics Data System (ADS)

    Boyajian, W. L.; Skotiniotis, M.; Dür, W.; Kraus, B.

    2016-12-01

    We show how quantum metrology protocols that seek to estimate the parameters of a Hamiltonian that exhibits a quantum phase transition can be efficiently simulated on an exponentially smaller quantum computer. Specifically, by exploiting the fact that the ground state of such a Hamiltonian changes drastically around its phase-transition point, we construct a suitable observable from which one can estimate the relevant parameters of the Hamiltonian with Heisenberg scaling precision. We then show how, for the one-dimensional Ising Hamiltonian with transverse magnetic field acting on N spins, such a metrology protocol can be efficiently simulated on an exponentially smaller quantum computer while maintaining the same Heisenberg scaling for the squared error, i.e., O (N-2) precision, and derive the explicit circuit that accomplishes the simulation.

  18. Position-dependent mass quantum Hamiltonians: general approach and duality

    NASA Astrophysics Data System (ADS)

    Rego-Monteiro, M. A.; Rodrigues, Ligia M. C. S.; Curado, E. M. F.

    2016-03-01

    We analyze a general family of position-dependent mass (PDM) quantum Hamiltonians which are not self-adjoint and include, as particular cases, some Hamiltonians obtained in phenomenological approaches to condensed matter physics. We build a general family of self-adjoint Hamiltonians which are quantum mechanically equivalent to the non-self-adjoint proposed ones. Inspired by the probability density of the problem, we construct an ansatz for the solutions of the family of self-adjoint Hamiltonians. We use this ansatz to map the solutions of the time independent Schrödinger equations generated by the non-self-adjoint Hamiltonians into the Hilbert space of the solutions of the respective dual self-adjoint Hamiltonians. This mapping depends on both the PDM and on a function of position satisfying a condition that assures the existence of a consistent continuity equation. We identify the non-self-adjoint Hamiltonians here studied with a very general family of Hamiltonians proposed in a seminal article of Harrison (1961 Phys. Rev. 123 85) to describe varying band structures in different types of metals. Therefore, we have self-adjoint Hamiltonians that correspond to the non-self-adjoint ones found in Harrison’s article.

  19. Hamiltonian learning and certification using quantum resources.

    PubMed

    Wiebe, Nathan; Granade, Christopher; Ferrie, Christopher; Cory, D G

    2014-05-16

    In recent years quantum simulation has made great strides, culminating in experiments that existing supercomputers cannot easily simulate. Although this raises the possibility that special purpose analog quantum simulators may be able to perform computational tasks that existing computers cannot, it also introduces a major challenge: certifying that the quantum simulator is in fact simulating the correct quantum dynamics. We provide an algorithm that, under relatively weak assumptions, can be used to efficiently infer the Hamiltonian of a large but untrusted quantum simulator using a trusted quantum simulator. We illustrate the power of this approach by showing numerically that it can inexpensively learn the Hamiltonians for large frustrated Ising models, demonstrating that quantum resources can make certifying analog quantum simulators tractable.

  20. Dissipative Forces and Quantum Mechanics

    ERIC Educational Resources Information Center

    Eck, John S.; Thompson, W. J.

    1977-01-01

    Shows how to include the dissipative forces of classical mechanics in quantum mechanics by the use of non-Hermetian Hamiltonians. The Ehrenfest theorem for such Hamiltonians is derived, and simple examples which show the classical correspondences are given. (MLH)

  1. Quantum control by means of hamiltonian structure manipulation.

    PubMed

    Donovan, A; Beltrani, V; Rabitz, H

    2011-04-28

    A traditional quantum optimal control experiment begins with a specific physical system and seeks an optimal time-dependent field to steer the evolution towards a target observable value. In a more general framework, the Hamiltonian structure may also be manipulated when the material or molecular 'stockroom' is accessible as a part of the controls. The current work takes a step in this direction by considering the converse of the normal perspective to now start with a specific fixed field and employ the system's time-independent Hamiltonian structure as the control to identify an optimal form. The Hamiltonian structure control variables are taken as the system energies and transition dipole matrix elements. An analysis is presented of the Hamiltonian structure control landscape, defined by the observable as a function of the Hamiltonian structure. A proof of system controllability is provided, showing the existence of a Hamiltonian structure that yields an arbitrary unitary transformation when working with virtually any field. The landscape analysis shows that there are no suboptimal traps (i.e., local extrema) for controllable quantum systems when unconstrained structural controls are utilized to optimize a state-to-state transition probability. This analysis is corroborated by numerical simulations on model multilevel systems. The search effort to reach the top of the Hamiltonian structure landscape is found to be nearly invariant to system dimension. A control mechanism analysis is performed, showing a wide variety of behavior for different systems at the top of the Hamiltonian structure landscape. It is also shown that reducing the number of available Hamiltonian structure controls, thus constraining the system, does not always prevent reaching the landscape top. The results from this work lay a foundation for considering the laboratory implementation of optimal Hamiltonian structure manipulation for seeking the best control performance, especially with limited

  2. Non-Hermitian quantum Hamiltonians with PT symmetry

    SciTech Connect

    Jones-Smith, Katherine; Mathur, Harsh

    2010-10-15

    We formulate quantum mechanics for non-Hermitian Hamiltonians that are invariant under PT, where P is the parity and T denotes time reversal, for the case that time-reversal symmetry is odd (T{sup 2}=-1), generalizing prior work for the even case (T{sup 2}=1). We discover an analog of Kramer's theorem for PT quantum mechanics, present a prototypical example of a PT quantum system with odd time reversal, and discuss potential applications of the formalism.

  3. Hamiltonian Engineering for High Fidelity Quantum Operations

    NASA Astrophysics Data System (ADS)

    Ribeiro, Hugo; Baksic, Alexandre; Clerk, Aashish

    High-fidelity gates and operations are crucial to almost every aspect of quantum information processing. In recent experiments, fidelity is mostly limited by unwanted couplings with states living out of the logical subspace. This results in both leakage and phase errors. Here, we present a general method to deal simultaneously with both these issues and improve the fidelity of quantum gates and operations. Our method is applicable to a wide variety of systems. As an example, we can correct gates for superconducting qubits, improve coherent state transfer between a single NV centre electronic spin and a single nitrogen nuclear spin, improve control over a nuclear spin ensemble, etc. Our method is intimately linked to the Magnus expansion. By modifying the Magnus expansion of an initially given Hamiltonian Hi, we find analytically additional control Hamiltonians Hctrl such that Hi +Hctrl leads to the desired gate while minimizing both leakage and phase errors.

  4. Surface Lifshits tails for random quantum Hamiltonians

    NASA Astrophysics Data System (ADS)

    Kirsch, Werner; Raikov, Georgi

    2017-03-01

    We consider Schrödinger operators on L2(ℝd) ⊗L2 (ℝℓ) of the form Hω=H⊥⊗I∥ +I⊥⊗H∥ +Vω , where H⊥ and H∥ are Schrödinger operators on L2(ℝd) and L2(ℝℓ) , respectively, and Vω(x ,y ) :=∑ξ∈ℤdλξ(ω ) v (x -ξ ,y ) ,x ∈ℝd ,y ∈ℝℓ is a random "surface potential." We investigate the behavior of the integrated density of surface states of Hω near the bottom of the spectrum and near internal band edges. The main result of the current paper is that, under suitable assumptions, the behavior of the integrated density of surface states of Hω can be read off from the integrated density of states of a reduced Hamiltonian H⊥+Wω where Wω is a quantum mechanical average of Vω with respect to y ∈ℝℓ . We are particularly interested in cases when H⊥ is a magnetic Schrödinger operator, but we also recover some of the results from Kirsch and Warzel [J. Funct. Anal. 230, 222-250 (2006)] for non-magnetic H⊥.

  5. Quantum Hamiltonian Identification from Measurement Time Traces

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Sarovar, Mohan

    2014-08-01

    Precise identification of parameters governing quantum processes is a critical task for quantum information and communication technologies. In this Letter, we consider a setting where system evolution is determined by a parametrized Hamiltonian, and the task is to estimate these parameters from temporal records of a restricted set of system observables (time traces). Based on the notion of system realization from linear systems theory, we develop a constructive algorithm that provides estimates of the unknown parameters directly from these time traces. We illustrate the algorithm and its robustness to measurement noise by applying it to a one-dimensional spin chain model with variable couplings.

  6. Uncertainty relation for non-Hamiltonian quantum systems

    SciTech Connect

    Tarasov, Vasily E.

    2013-01-15

    General forms of uncertainty relations for quantum observables of non-Hamiltonian quantum systems are considered. Special cases of uncertainty relations are discussed. The uncertainty relations for non-Hamiltonian quantum systems are considered in the Schroedinger-Robertson form since it allows us to take into account Lie-Jordan algebra of quantum observables. In uncertainty relations, the time dependence of quantum observables and the properties of this dependence are discussed. We take into account that a time evolution of observables of a non-Hamiltonian quantum system is not an endomorphism with respect to Lie, Jordan, and associative multiplications.

  7. Alternative Hamiltonian description for quantum systems

    SciTech Connect

    Dubrovin, B.A. ); Marno, G.; Simoni, A. )

    1990-06-20

    The existence of time-invariant Kahler structures is analyzed in both Classical and Quantum Mechanics. In Quantum Mechanics, a family of such Kahler structures is found, in the finite-dimensional case it is proven that this family is complete.

  8. Spectral Properties of Fractional Quantum Hall Hamiltonians

    NASA Astrophysics Data System (ADS)

    Weerasinghe, Amila

    The fractional quantum Hall (FQH) effect plays a prominent role in the study of topological phases of matter and of strongly correlated electron systems in general. FQH systems have been demonstrated to show many interesting novel properties such as fractional charges, and are believed to harbor even more intriguing phenomena such as fractional statistics. However, there remain many interesting questions to be addressed in this regime. The work reported in this thesis aims to push the envelope of our understanding of the low-energy properties of FQH states using microscopic principles. In the first part of the thesis, we present a systematic perturbative approach to study excitations in the thin cylinder/torus limit of the quantum Hall states. The approach is applied to the Haldane-Rezayi and Gaffnian quantum Hall states, which are both expected to have gapless excitations in the usual two-dimensional thermodynamic limit. For the Haldane-Rezayi state, we confirm that gapless excitations are present also in the "one-dimensional" thermodynamic limit of an infinite thin cylinder, in agreement with earlier considerations based on the wave functions alone. In contrast, we identify the lowest excitations of the Gaffnian state in the thin cylinder limit, and conclude that they are gapped, using a combination of perturbative and numerical means. We discuss possible scenarios for the cross-over between the two-dimensional and the one-dimensional thermodynamic limit in this case. In the second part of the thesis, we study the low energy spectral properties of positive center-of-mass conserving two-body Hamiltonians as they arise in models of FQH states. Starting from the observation that positive many-body Hamiltonians must have ground state energies that increase monotonously in particle number, we explore what general additional constraints can be obtained for two-body interactions with "center-of-mass conservation" symmetry, both in the presence and absence of particle

  9. Time and a physical Hamiltonian for quantum gravity.

    PubMed

    Husain, Viqar; Pawłowski, Tomasz

    2012-04-06

    We present a nonperturbative quantization of general relativity coupled to dust and other matter fields. The dust provides a natural time variable, leading to a physical Hamiltonian with spatial diffeomorphism symmetry. The surprising feature is that the Hamiltonian is not a square root. This property, together with the kinematical structure of loop quantum gravity, provides a complete theory of quantum gravity, and puts applications to cosmology, quantum gravitational collapse, and Hawking radiation within technical reach.

  10. Hamiltonian approach to Ehrenfest expectation values and Gaussian quantum states.

    PubMed

    Bonet-Luz, Esther; Tronci, Cesare

    2016-05-01

    The dynamics of quantum expectation values is considered in a geometric setting. First, expectation values of the canonical observables are shown to be equivariant momentum maps for the action of the Heisenberg group on quantum states. Then, the Hamiltonian structure of Ehrenfest's theorem is shown to be Lie-Poisson for a semidirect-product Lie group, named the Ehrenfest group. The underlying Poisson structure produces classical and quantum mechanics as special limit cases. In addition, quantum dynamics is expressed in the frame of the expectation values, in which the latter undergo canonical Hamiltonian motion. In the case of Gaussian states, expectation values dynamics couples to second-order moments, which also enjoy a momentum map structure. Eventually, Gaussian states are shown to possess a Lie-Poisson structure associated with another semidirect-product group, which is called the Jacobi group. This structure produces the energy-conserving variant of a class of Gaussian moment models that have previously appeared in the chemical physics literature.

  11. Hamiltonian approach to Ehrenfest expectation values and Gaussian quantum states

    NASA Astrophysics Data System (ADS)

    Bonet-Luz, Esther; Tronci, Cesare

    2016-05-01

    The dynamics of quantum expectation values is considered in a geometric setting. First, expectation values of the canonical observables are shown to be equivariant momentum maps for the action of the Heisenberg group on quantum states. Then, the Hamiltonian structure of Ehrenfest's theorem is shown to be Lie-Poisson for a semidirect-product Lie group, named the Ehrenfest group. The underlying Poisson structure produces classical and quantum mechanics as special limit cases. In addition, quantum dynamics is expressed in the frame of the expectation values, in which the latter undergo canonical Hamiltonian motion. In the case of Gaussian states, expectation values dynamics couples to second-order moments, which also enjoy a momentum map structure. Eventually, Gaussian states are shown to possess a Lie-Poisson structure associated with another semidirect-product group, which is called the Jacobi group. This structure produces the energy-conserving variant of a class of Gaussian moment models that have previously appeared in the chemical physics literature.

  12. Hamiltonian mechanics and planar fishlike locomotion

    NASA Astrophysics Data System (ADS)

    Kelly, Scott; Xiong, Hailong; Burgoyne, Will

    2007-11-01

    A free deformable body interacting with a system of point vortices in the plane constitutes a Hamiltonian system. A free Joukowski foil with variable camber shedding point vortices in an ideal fluid according to a periodically applied Kutta condition provides a model for fishlike locomotion which bridges the gap between inviscid analytical models that sacrifice realism for tractability and viscous computational models inaccessible to tools from nonlinear control theory. We frame such a model in the context of Hamiltonian mechanics and describe its relevance both to the study of hydrodynamic interactions within schools of fish and to the realization of model-based control laws for biomimetic autonomous robotic vehicles.

  13. Estimation of many-body quantum Hamiltonians via compressive sensing

    SciTech Connect

    Shabani, A.; Rabitz, H.; Mohseni, M.; Lloyd, S.; Kosut, R. L.

    2011-07-15

    We develop an efficient and robust approach for quantum measurement of nearly sparse many-body quantum Hamiltonians based on the method of compressive sensing. This work demonstrates that with only O(sln(d)) experimental configurations, consisting of random local preparations and measurements, one can estimate the Hamiltonian of a d-dimensional system, provided that the Hamiltonian is nearly s sparse in a known basis. The classical postprocessing is a convex optimization problem on the total Hilbert space which is generally not scalable. We numerically simulate the performance of this algorithm for three- and four-body interactions in spin-coupled quantum dots and atoms in optical lattices. Furthermore, we apply the algorithm to characterize Hamiltonian fine structure and unknown system-bath interactions.

  14. Superfield Hamiltonian quantization in terms of quantum antibrackets

    NASA Astrophysics Data System (ADS)

    Batalin, Igor A.; Lavrov, Peter M.

    2016-04-01

    We develop a new version of the superfield Hamiltonian quantization. The main new feature is that the BRST-BFV charge and the gauge fixing Fermion are introduced on equal footing within the sigma model approach, which provides for the actual use of the quantum/derived antibrackets. We study in detail the generating equations for the quantum antibrackets and their primed counterparts. We discuss the finite quantum anticanonical transformations generated by the quantum antibracket.

  15. An effective Hamiltonian approach to quantum random walk

    NASA Astrophysics Data System (ADS)

    Sarkar, Debajyoti; Paul, Niladri; Bhattacharya, Kaushik; Ghosh, Tarun Kanti

    2017-03-01

    In this article we present an effective Hamiltonian approach for discrete time quantum random walk. A form of the Hamiltonian for one-dimensional quantum walk has been prescribed, utilizing the fact that Hamiltonians are generators of time translations. Then an attempt has been made to generalize the techniques to higher dimensions. We find that the Hamiltonian can be written as the sum of a Weyl Hamiltonian and a Dirac comb potential. The time evolution operator obtained from this prescribed Hamiltonian is in complete agreement with that of the standard approach. But in higher dimension we find that the time evolution operator is additive, instead of being multiplicative (see Chandrashekar, Sci. Rep. 3, 2829 (18)). We showed that in the case of two-step walk, the time evolution operator effectively can have multiplicative form. In the case of a square lattice, quantum walk has been studied computationally for different coins and the results for both the additive and the multiplicative approaches have been compared. Using the graphene Hamiltonian, the walk has been studied on a graphene lattice and we conclude the preference of additive approach over the multiplicative one.

  16. An underlying geometrical manifold for Hamiltonian mechanics

    NASA Astrophysics Data System (ADS)

    Horwitz, L. P.; Yahalom, A.; Levitan, J.; Lewkowicz, M.

    2017-02-01

    We show that there exists an underlying manifold with a conformal metric and compatible connection form, and a metric type Hamiltonian (which we call the geometrical picture), that can be put into correspondence with the usual Hamilton-Lagrange mechanics. The requirement of dynamical equivalence of the two types of Hamiltonians, that the momenta generated by the two pictures be equal for all times, is sufficient to determine an expansion of the conformal factor, defined on the geometrical coordinate representation, in its domain of analyticity with coefficients to all orders determined by functions of the potential of the Hamiltonian-Lagrange picture, defined on the Hamilton-Lagrange coordinate representation, and its derivatives. Conversely, if the conformal function is known, the potential of a Hamilton-Lagrange picture can be determined in a similar way. We show that arbitrary local variations of the orbits in the Hamilton-Lagrange picture can be generated by variations along geodesics in the geometrical picture and establish a correspondence which provides a basis for understanding how the instability in the geometrical picture is manifested in the instability of the the original Hamiltonian motion.

  17. Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Commins, Eugene D.

    2014-10-01

    Preface; 1. Introduction; 2. Mathematical preliminaries; 3. The rules of quantum mechanics; 4. The connection between the fundamental rules and wave mechanics; 5. Further illustrations of the rules of quantum mechanics; 6. Further developments in one-dimensional wave mechanics; 7. The theory of angular momentum; 8. Wave mechanics in three dimensions: hydrogenic atoms; 9. Time-independent approximations for bound state problems; 10. Applications of static perturbation theory; 11. Identical particles; 12. Atomic structure; 13. Molecules; 14. The stability of matter; 15. Photons; 16. Interaction of non-relativistic charged particles and radiation; 17. Further topics in perturbation theory; 18. Scattering; 19. Special relativity and quantum mechanics: the Klein-Gordon equation; 20. The Dirac equation; 21. Interaction of a relativistic spin 1/2 particle with an external electromagnetic field; 22. The Dirac field; 23. Interaction between relativistic electrons, positrons, and photons; 24. The quantum mechanics of weak interactions; 25. The quantum measurement problem; Appendix A: useful inequalities for quantum mechanics; Appendix B: Bell's inequality; Appendix C: spin of the photon: vector spherical waves; Works cited; Bibliography; Index.

  18. Quantum Monte Carlo Calculations in Solids with Downfolded Hamiltonians

    NASA Astrophysics Data System (ADS)

    Ma, Fengjie; Purwanto, Wirawan; Zhang, Shiwei; Krakauer, Henry

    2015-06-01

    We present a combination of a downfolding many-body approach with auxiliary-field quantum Monte Carlo (AFQMC) calculations for extended systems. Many-body calculations operate on a simpler Hamiltonian which retains material-specific properties. The Hamiltonian is systematically improvable and allows one to dial, in principle, between the simplest model and the original Hamiltonian. As a by-product, pseudopotential errors are essentially eliminated using frozen orbitals constructed adaptively from the solid environment. The computational cost of the many-body calculation is dramatically reduced without sacrificing accuracy. Excellent accuracy is achieved for a range of solids, including semiconductors, ionic insulators, and metals. We apply the method to calculate the equation of state of cubic BN under ultrahigh pressure, and determine the spin gap in NiO, a challenging prototypical material with strong electron correlation effects.

  19. Optimization of quantum Hamiltonian evolution: From two projection operators to local Hamiltonians

    NASA Astrophysics Data System (ADS)

    Patel, Apoorva; Priyadarsini, Anjani

    Given a quantum Hamiltonian and its evolution time, the corresponding unitary evolution operator can be constructed in many different ways, corresponding to different trajectories between the desired end-points and different series expansions. A choice among these possibilities can then be made to obtain the best computational complexity and control over errors. It is shown how a construction based on Grover's algorithm scales linearly in time and logarithmically in the error bound, and is exponentially superior in error complexity to the scheme based on the straightforward application of the Lie-Trotter formula. The strategy is then extended first to simulation of any Hamiltonian that is a linear combination of two projection operators, and then to any local efficiently computable Hamiltonian. The key feature is to construct an evolution in terms of the largest possible steps instead of taking small time steps. Reflection operations and Chebyshev expansions are used to efficiently control the total error on the overall evolution, without worrying about discretization errors for individual steps. We also use a digital implementation of quantum states that makes linear algebra operations rather simple to perform.

  20. Quantum Monte Carlo simulation of a particular class of non-stoquastic Hamiltonians in quantum annealing.

    PubMed

    Ohzeki, Masayuki

    2017-01-23

    Quantum annealing is a generic solver of the optimization problem that uses fictitious quantum fluctuation. Its simulation in classical computing is often performed using the quantum Monte Carlo simulation via the Suzuki-Trotter decomposition. However, the negative sign problem sometimes emerges in the simulation of quantum annealing with an elaborate driver Hamiltonian, since it belongs to a class of non-stoquastic Hamiltonians. In the present study, we propose an alternative way to avoid the negative sign problem involved in a particular class of the non-stoquastic Hamiltonians. To check the validity of the method, we demonstrate our method by applying it to a simple problem that includes the anti-ferromagnetic XX interaction, which is a typical instance of the non-stoquastic Hamiltonians.

  1. Quantum Monte Carlo simulation of a particular class of non-stoquastic Hamiltonians in quantum annealing

    NASA Astrophysics Data System (ADS)

    Ohzeki, Masayuki

    2017-01-01

    Quantum annealing is a generic solver of the optimization problem that uses fictitious quantum fluctuation. Its simulation in classical computing is often performed using the quantum Monte Carlo simulation via the Suzuki–Trotter decomposition. However, the negative sign problem sometimes emerges in the simulation of quantum annealing with an elaborate driver Hamiltonian, since it belongs to a class of non-stoquastic Hamiltonians. In the present study, we propose an alternative way to avoid the negative sign problem involved in a particular class of the non-stoquastic Hamiltonians. To check the validity of the method, we demonstrate our method by applying it to a simple problem that includes the anti-ferromagnetic XX interaction, which is a typical instance of the non-stoquastic Hamiltonians.

  2. Quantum Monte Carlo simulation of a particular class of non-stoquastic Hamiltonians in quantum annealing

    PubMed Central

    Ohzeki, Masayuki

    2017-01-01

    Quantum annealing is a generic solver of the optimization problem that uses fictitious quantum fluctuation. Its simulation in classical computing is often performed using the quantum Monte Carlo simulation via the Suzuki–Trotter decomposition. However, the negative sign problem sometimes emerges in the simulation of quantum annealing with an elaborate driver Hamiltonian, since it belongs to a class of non-stoquastic Hamiltonians. In the present study, we propose an alternative way to avoid the negative sign problem involved in a particular class of the non-stoquastic Hamiltonians. To check the validity of the method, we demonstrate our method by applying it to a simple problem that includes the anti-ferromagnetic XX interaction, which is a typical instance of the non-stoquastic Hamiltonians. PMID:28112244

  3. Quantum integrals of motion for variable quadratic Hamiltonians

    SciTech Connect

    Cordero-Soto, Ricardo; Suazo, Erwin; Suslov, Sergei K.

    2010-09-15

    We construct integrals of motion for several models of the quantum damped oscillators in a framework of a general approach to the time-dependent Schroedinger equation with variable quadratic Hamiltonians. An extension of the Lewis-Riesenfeld dynamical invariant is given. The time-evolution of the expectation values of the energy-related positive operators is determined for the oscillators under consideration. A proof of uniqueness of the corresponding Cauchy initial value problem is discussed as an application.

  4. 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.

  5. Supersymmetric Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    David, J.; Fernández, C.

    2010-10-01

    Supersymmetric quantum mechanics (SUSY QM) is a powerful tool for generating new potentials with known spectra departing from an initial solvable one. In these lecture notes we will present some general formulae concerning SUSY QM of first second order for one-dimensional arbitrary systems, we will illustrate the method through the trigonometric Pöschl-Teller potentials. Some intrinsically related subjects, as the algebraic structure inherited by the new Hamiltonians and the corresponding coherent states will be analyzed. The technique will be as well implemented for periodic potentials, for which the corresponding spectrum is composed of allowed bands separated by energy gaps.

  6. Schrödinger and related equations as hamiltonian systems, manifolds of second-order tensors and new ideas of nonlinearity in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Sławianowski, J. J.; Kovalchuk, V.

    2010-01-01

    Considered is the Schrödinger equation in a finite-dimensional space as an equation of mathematical physics derivable from the variational principle and treatable in terms of the Lagrange-Hamilton formalism. It provides an interesting example of "mechanics" with singular Lagrangians, effectively treatable within the framework of Dirac formalism. We discuss also some modified "Schrödinger" equations involving second-order time derivatives and introduce a kind of nondirect, nonperturbative, geometrically-motivated nonlinearity based on making the scalar product a dynamical quantity. There are some reasons to expect that this might be a new way of describing open dynamical systems and explaining some quantum "paradoxes".

  7. Quantum simulation via filtered Hamiltonian engineering: application to perfect quantum transport in spin networks.

    PubMed

    Ajoy, Ashok; Cappellaro, Paola

    2013-05-31

    We propose a method for Hamiltonian engineering that requires no local control but only relies on collective qubit rotations and field gradients. The technique achieves a spatial modulation of the coupling strengths via a dynamical construction of a weighting function combined with a Bragg grating. As an example, we demonstrate how to generate the ideal Hamiltonian for perfect quantum information transport between two separated nodes of a large spin network. We engineer a spin chain with optimal couplings starting from a large spin network, such as one naturally occurring in crystals, while decoupling all unwanted interactions. For realistic experimental parameters, our method can be used to drive almost perfect quantum information transport at room temperature. The Hamiltonian engineering method can be made more robust under decoherence and coupling disorder by a novel apodization scheme. Thus, the method is quite general and can be used to engineer the Hamiltonian of many complex spin lattices with different topologies and interactions.

  8. Path-integral description of combined Hamiltonian and non-Hamiltonian dynamics in quantum dissipative systems

    NASA Astrophysics Data System (ADS)

    Barth, A. M.; Vagov, A.; Axt, V. M.

    2016-09-01

    We present a numerical path-integral iteration scheme for the low-dimensional reduced density matrix of a time-dependent quantum dissipative system. Our approach simultaneously accounts for the combined action of a microscopically modeled pure-dephasing-type coupling to a continuum of harmonic oscillators representing, e.g., phonons, and further environmental interactions inducing non-Hamiltonian dynamics in the inner system represented, e.g., by Lindblad-type dissipation or relaxation. Our formulation of the path-integral method allows for a numerically exact treatment of the coupling to the oscillator modes and moreover is general enough to provide a natural way to include Markovian processes that are sufficiently described by rate equations. We apply this new formalism to a model of a single semiconductor quantum dot which includes the coupling to longitudinal acoustic phonons for two cases: (a) external laser excitation taking into account a phenomenological radiative decay of the excited dot state and (b) a coupling of the quantum dot to a single mode of an optical cavity taking into account cavity photon losses.

  9. Error suppression for Hamiltonian quantum computing in Markovian environments

    NASA Astrophysics Data System (ADS)

    Marvian, Milad; Lidar, Daniel A.

    2017-03-01

    Hamiltonian quantum computing, such as the adiabatic and holonomic models, can be protected against decoherence using an encoding into stabilizer subspace codes for error detection and the addition of energy penalty terms. This method has been widely studied since it was first introduced by Jordan, Farhi, and Shor (JFS) in the context of adiabatic quantum computing. Here, we extend the original result to general Markovian environments, not necessarily in Lindblad form. We show that the main conclusion of the original JFS study holds under these general circumstances: Assuming a physically reasonable bath model, it is possible to suppress the initial decay out of the encoded ground state with an energy penalty strength that grows only logarithmically in the system size, at a fixed temperature.

  10. Gapless modes of fractional quantum Hall edges: a Hamiltonian study

    NASA Astrophysics Data System (ADS)

    Nguyen, Hoang; Joglekar, Yogesh; Murthy, Ganpathy

    2004-03-01

    We study the collective modes of the fractional quantum Hall edge states using the Hamiltonian formalism [1]. In this theory, the composite fermions are fully interacting; the collective modes are obtained within a conserving approximation which respects the constraints [2]. We present the gapless edge-mode dispersions at 1/3 and 2/5 filling fractions of unreconstructed and reconstructed edges. The dispersions are found to be nonlinear due to the variation of the effective magnetic field on the composite fermions. The implications of our study to the tunneling experiments into the edge of a fractional quantum Hall system [3] are discussed*. 1. R. Shankar and G. Murthy, Phys. Rev. Lett. 79, 4437 (1997). 2. G. Murthy, Phys. Rev. B 64, 195310 (2001). 3. A.M.Chang et. al., Phys. Rev. Lett. 86, 143 (2000). * Work supported by the NSF, Grant number DMR 031176.

  11. Long-range correlations in quantum systems with aperiodic Hamiltonians

    NASA Astrophysics Data System (ADS)

    Lin, Zhifang; Goda, Masaki

    1997-03-01

    An efficient algorithm for the computation of correlation function (CF) at very long distances is presented for quantum systems whose Hamiltonian is formed by the substitution aperiodic sequence alternating over unit intervals in time or space. The algorithm reorganizes the expression of the CF in such a way that the evaluation of the CF at distances equal to some special numbers is related to a family of graphs generated recursively. As examples of applications, we evaluate the CF, over unprecedentedly long time intervals up to order of 1012, for aperiodic two-level systems subject to kicking perturbations that are in the Thue-Morse, the period-doubling, and the Rudin-Shapiro sequences, respectively. Our results show the presence of long-range correlations in all these aperiodic quantum systems.

  12. Quantum spin Hamiltonians for the SU(2)k WZW model

    NASA Astrophysics Data System (ADS)

    Nielsen, Anne E. B.; Cirac, J. Ignacio; Sierra, Germán

    2011-11-01

    We propose to use null vectors in conformal field theories to derive model Hamiltonians of quantum spin chains and the corresponding ground state wavefunction(s). The approach is quite general, and we illustrate it by constructing a family of Hamiltonians whose ground states are the chiral correlators of the SU(2)k WZW model for integer values of the level k. The simplest example corresponds to k = 1 and is essentially a nonuniform generalization of the Haldane-Shastry model with long-range exchange couplings. At level k = 2, we analyse the model for N spin 1 fields. We find that the Renyi entropy and the two-point spin correlator show, respectively, logarithmic growth and algebraic decay. Furthermore, we use the null vectors to derive a set of algebraic, linear equations relating spin correlators within each model. At level k = 1, these equations allow us to compute the two-point spin correlators analytically for the finite chain uniform Haldane-Shastry model and to obtain numerical results for the nonuniform case and for higher-point spin correlators in a very simple way and without resorting to Monte Carlo techniques.

  13. The mathematics of a quantum Hamiltonian computing half adder Boolean logic gate

    NASA Astrophysics Data System (ADS)

    Dridi, G.; Julien, R.; Hliwa, M.; Joachim, C.

    2015-08-01

    The mathematics behind the quantum Hamiltonian computing (QHC) approach of designing Boolean logic gates with a quantum system are given. Using the quantum eigenvalue repulsion effect, the QHC AND, NAND, OR, NOR, XOR, and NXOR Hamiltonian Boolean matrices are constructed. This is applied to the construction of a QHC half adder Hamiltonian matrix requiring only six quantum states to fullfil a half Boolean logical truth table. The QHC design rules open a nano-architectronic way of constructing Boolean logic gates inside a single molecule or atom by atom at the surface of a passivated semi-conductor.

  14. The mathematics of a quantum Hamiltonian computing half adder Boolean logic gate.

    PubMed

    Dridi, G; Julien, R; Hliwa, M; Joachim, C

    2015-08-28

    The mathematics behind the quantum Hamiltonian computing (QHC) approach of designing Boolean logic gates with a quantum system are given. Using the quantum eigenvalue repulsion effect, the QHC AND, NAND, OR, NOR, XOR, and NXOR Hamiltonian Boolean matrices are constructed. This is applied to the construction of a QHC half adder Hamiltonian matrix requiring only six quantum states to fullfil a half Boolean logical truth table. The QHC design rules open a nano-architectronic way of constructing Boolean logic gates inside a single molecule or atom by atom at the surface of a passivated semi-conductor.

  15. Quantum phase transitions in bosonic heteronuclear pairing Hamiltonians

    SciTech Connect

    Hohenadler, M.; Silver, A. O.; Bhaseen, M. J.; Simons, B. D.

    2010-07-15

    We explore the phase diagram of two-component bosons with Feshbach resonant pairing interactions in an optical lattice. It has been shown in previous work to exhibit a rich variety of phases and phase transitions, including a paradigmatic Ising quantum phase transition within the second Mott lobe. We discuss the evolution of the phase diagram with system parameters and relate this to the predictions of Landau theory. We extend our exact diagonalization studies of the one-dimensional bosonic Hamiltonian and confirm additional Ising critical exponents for the longitudinal and transverse magnetic susceptibilities within the second Mott lobe. The numerical results for the ground-state energy and transverse magnetization are in good agreement with exact solutions of the Ising model in the thermodynamic limit. We also provide details of the low-energy spectrum, as well as density fluctuations and superfluid fractions in the grand canonical ensemble.

  16. PREFACE: 6th International Workshop on Pseudo-Hermitian Hamiltonians in Quantum Physics

    NASA Astrophysics Data System (ADS)

    Fring, Andreas; Jones, Hugh; Znojil, Miloslav

    2008-06-01

    Attempts to understand the quantum mechanics of non-Hermitian Hamiltonian systems can be traced back to the early days, one example being Heisenberg's endeavour to formulate a consistent model involving an indefinite metric. Over the years non-Hermitian Hamiltonians whose spectra were believed to be real have appeared from time to time in the literature, for instance in the study of strong interactions at high energies via Regge models, in condensed matter physics in the context of the XXZ-spin chain, in interacting boson models in nuclear physics, in integrable quantum field theories as Toda field theories with complex coupling constants, and also very recently in a field theoretical scenario in the quantization procedure of strings on an AdS5 x S5 background. Concrete experimental realizations of these types of systems in the form of optical lattices have been proposed in 2007. In the area of mathematical physics similar non-systematic results appeared sporadically over the years. However, intensive and more systematic investigation of these types of non- Hermitian Hamiltonians with real eigenvalue spectra only began about ten years ago, when the surprising discovery was made that a large class of one-particle systems perturbed by a simple non-Hermitian potential term possesses a real energy spectrum. Since then regular international workshops devoted to this theme have taken place. This special issue is centred around the 6th International Workshop on Pseudo-Hermitian Hamiltonians in Quantum Physics held in July 2007 at City University London. All the contributions contain significant new results or alternatively provide a survey of the state of the art of the subject or a critical assessment of the present understanding of the topic and a discussion of open problems. Original contributions from non-participants were also invited. Meanwhile many interesting results have been obtained and consensus has been reached on various central conceptual issues in the

  17. A Class of Asymmetric Gapped Hamiltonians on Quantum Spin Chains and its Characterization II

    NASA Astrophysics Data System (ADS)

    Ogata, Yoshiko

    2016-12-01

    We give a characterization of the class of gapped Hamiltonians introduced in Part I (Ogata, A class of asymmetric gapped Hamiltonians on quantum spin chains and its classification I, 2015). The Hamiltonians in this class are given as MPS (Matrix product state) Hamiltonians. In Ogata (A class of asymmetric gapped Hamiltonians on quantum spin chains and its classification I, 2015), we list up properties of ground state structures of Hamiltonians in this class. In this Part II, we show the converse. Namely, if a (not necessarily MPS) Hamiltonian H satisfies five of the listed properties, there is a Hamiltonian H' from the class by Ogata (A class of asymmetric gapped Hamiltonians on quantum spin chains and its classification I, 2015), satisfying the following: The ground state spaces of the two Hamiltonians on the infinite interval coincide. The spectral projections onto the ground state space of H on each finite intervals are approximated by that of H' exponentially well, with respect to the interval size. The latter property has an application to the classification problem with open boundary conditions.

  18. Optimal adaptive control for quantum metrology with time-dependent Hamiltonians

    NASA Astrophysics Data System (ADS)

    Pang, Shengshi; Jordan, Andrew N.

    2017-03-01

    Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here we investigate quantum metrology with time-dependent Hamiltonians to bridge this gap. We obtain the optimal quantum Fisher information for parameters in time-dependent Hamiltonians, and show proper Hamiltonian control is generally necessary to optimize the Fisher information. We derive the optimal Hamiltonian control, which is generally adaptive, and the measurement scheme to attain the optimal Fisher information. In a minimal example of a qubit in a rotating magnetic field, we find a surprising result that the fundamental limit of T2 time scaling of quantum Fisher information can be broken with time-dependent Hamiltonians, which reaches T4 in estimating the rotation frequency of the field. We conclude by considering level crossings in the derivatives of the Hamiltonians, and point out additional control is necessary for that case.

  19. Optimal adaptive control for quantum metrology with time-dependent Hamiltonians.

    PubMed

    Pang, Shengshi; Jordan, Andrew N

    2017-03-09

    Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here we investigate quantum metrology with time-dependent Hamiltonians to bridge this gap. We obtain the optimal quantum Fisher information for parameters in time-dependent Hamiltonians, and show proper Hamiltonian control is generally necessary to optimize the Fisher information. We derive the optimal Hamiltonian control, which is generally adaptive, and the measurement scheme to attain the optimal Fisher information. In a minimal example of a qubit in a rotating magnetic field, we find a surprising result that the fundamental limit of T(2) time scaling of quantum Fisher information can be broken with time-dependent Hamiltonians, which reaches T(4) in estimating the rotation frequency of the field. We conclude by considering level crossings in the derivatives of the Hamiltonians, and point out additional control is necessary for that case.

  20. Bubble interaction dynamics in Lagrangian and Hamiltonian mechanics.

    PubMed

    Ilinskii, Yurii A; Hamilton, Mark F; Zabolotskaya, Evgenia A

    2007-02-01

    Two models of interacting bubble dynamics are presented, a coupled system of second-order differential equations based on Lagrangian mechanics, and a first-order system based on Hamiltonian mechanics. Both account for pulsation and translation of an arbitrary number of spherical bubbles. For large numbers of interacting bubbles, numerical solution of the Hamiltonian equations provides greater stability. The presence of external acoustic sources is taken into account explicitly in the derivation of both sets of equations. In addition to the acoustic pressure and its gradient, it is found that the particle velocity associated with external sources appears in the dynamical equations.

  1. Non-commuting two-local Hamiltonians for quantum error suppression

    NASA Astrophysics Data System (ADS)

    Jiang, Zhang; Rieffel, Eleanor G.

    2017-04-01

    Physical constraints make it challenging to implement and control many-body interactions. For this reason, designing quantum information processes with Hamiltonians consisting of only one- and two-local terms is a worthwhile challenge. Enabling error suppression with two-local Hamiltonians is particularly challenging. A no-go theorem of Marvian and Lidar (Phys Rev Lett 113(26):260504, 2014) demonstrates that, even allowing particles with high Hilbert space dimension, it is impossible to protect quantum information from single-site errors by encoding in the ground subspace of any Hamiltonian containing only commuting two-local terms. Here, we get around this no-go result by encoding in the ground subspace of a Hamiltonian consisting of non-commuting two-local terms arising from the gauge operators of a subsystem code. Specifically, we show how to protect stored quantum information against single-qubit errors using a Hamiltonian consisting of sums of the gauge generators from Bacon-Shor codes (Bacon in Phys Rev A 73(1):012340, 2006) and generalized-Bacon-Shor code (Bravyi in Phys Rev A 83(1):012320, 2011). Our results imply that non-commuting two-local Hamiltonians have more error-suppressing power than commuting two-local Hamiltonians. While far from providing full fault tolerance, this approach improves the robustness achievable in near-term implementable quantum storage and adiabatic quantum computations, reducing the number of higher-order terms required to encode commonly used adiabatic Hamiltonians such as the Ising Hamiltonians common in adiabatic quantum optimization and quantum annealing.

  2. The Hamiltonian of the quantum trigonometric Calogero-Sutherland model in the exceptional algebra E8

    NASA Astrophysics Data System (ADS)

    Fernández Núñez, J.; García Fuertes, W.; Perelomov, A. M.

    2009-01-01

    We express the Hamiltonian of the quantum trigonometric Calogero-Sutherland model for the Lie algebra E8 and coupling constant κ by using the fundamental irreducible characters of the algebra as dynamical independent variables.

  3. Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Murdin, P.

    2000-11-01

    A development of quantum theory that was initiated in the 1920s by Werner Heisenberg (1901-76) and Erwin Schrödinger (1887-1961). The theory drew on a proposal made in 1925 Prince Louis de Broglie (1892-1987), that particles have wavelike properties (the wave-particle duality) and that an electron, for example, could in some respects be regarded as a wave with a wavelength that depended on its mo...

  4. The Global versus Local Hamiltonian Description of Quantum Input-Output Theory

    NASA Astrophysics Data System (ADS)

    Gough, John

    2015-06-01

    The aim of this paper is to derive the global Hamiltonian form for a quantum system and bath, or more generally a quantum network with multiple quantum input field connections, based on the local descriptions. We give a new simple argument which shows that the global Hamiltonian for a single Markov component arises as the singular perturbation of the free translation operator. We show that the Fermi analogue takes an equivalent form provided the parity of the coefficients is correctly specified. This allows us to immediately extend the theory of quantum feedback networks to Fermi systems.

  5. On the spectrum discreteness of the quantum graph Hamiltonian with δ-coupling

    NASA Astrophysics Data System (ADS)

    Smolkina, M. O.; Popov, I. Yu

    2015-11-01

    The condition on the potential ensuring the discreteness of the spectrum of infinite quantum graph Hamiltonian is considered. The corresponding necessary and sufficient condition was obtained by Molchanov 50 years ago. In the present paper, the analogous condition is obtained for a quantum graph. A quantum graph with infinite leads (edges) or/and infinite chains of vertices such that neighbor ones are connected by finite number of edges and with δ-type conditions at the graph vertices is suggested. The Molchanov-type theorem for the quantum graph Hamiltonian spectrum discreteness is proved.

  6. Non-commuting two-local Hamiltonians for quantum error suppression

    NASA Astrophysics Data System (ADS)

    Rieffel, Eleanor; Jiang, Zhang; QuAIL Team

    Physical constraints make it challenging to implement and control multi-body interactions. Designing quantum information processes with Hamiltonians consisting of only one- and two-local terms is a worthwhile challenge. A common approach to robust storage of quantum information is to encode in the ground subspace of a Hamiltonian. Even allowing particles with high Hilbert-space dimension, it is not possible to protect quantum information from single-site errors by encoding in the ground subspace of any Hamiltonian containing only commuting two-local terms. We demonstrate how to get around this no-go result by encoding in the ground subspace of a Hamiltonian consisting of non-commuting two-local terms arising from the gauge operators of a subsystem code. Specifically, we show how to protect stored quantum information against single-qubit errors using a Hamiltonian consisting of sums of the gauge generators from Bacon-Shor codes and generalized-Bacon-Shor code. Thus, non-commuting two-local Hamiltonians have more error-suppressing power than commuting two-local Hamiltonians. Finally, we comment briefly on the robustness of the whole scheme.

  7. Probabilistic Approach to Teaching the Principles of Quantum Mechanics

    ERIC Educational Resources Information Center

    Santos, Emilio

    1976-01-01

    Approaches the representation of quantum mechanics through Hilbert space postulates. Demonstrates that if the representation is to be accurate, an evolution operator of the form of a Hamiltonian must be used. (CP)

  8. Kowalevski top in quantum mechanics

    SciTech Connect

    Matsuyama, A.

    2013-09-15

    The quantum mechanical Kowalevski top is studied by the direct diagonalization of the Hamiltonian. The spectra show different behaviors depending on the region divided by the bifurcation sets of the classical invariant tori. Some of these spectra are nearly degenerate due to the multiplicity of the invariant tori. The Kowalevski top has several symmetries and symmetry quantum numbers can be assigned to the eigenstates. We have also carried out the semiclassical quantization of the Kowalevski top by the EBK formulation. It is found that the semiclassical spectra are close to the exact values, thus the eigenstates can be also labeled by the integer quantum numbers. The symmetries of the system are shown to have close relations with the semiclassical quantum numbers and the near-degeneracy of the spectra. -- Highlights: •Quantum spectra of the Kowalevski top are calculated. •Semiclassical quantization is carried out by the EBK formulation. •Quantum states are labeled by the semiclassical integer quantum numbers. •Multiplicity of the classical torus makes the spectra nearly degenerate. •Symmetries, quantum numbers and near-degenerate spectra are closely related.

  9. Efficient Solvability of Hamiltonians and Limits on the Power of Some Quantum Computational Models

    NASA Astrophysics Data System (ADS)

    Somma, Rolando; Barnum, Howard; Ortiz, Gerardo; Knill, Emanuel

    2006-11-01

    One way to specify a model of quantum computing is to give a set of control Hamiltonians acting on a quantum state space whose initial state and final measurement are specified in terms of the Hamiltonians. We formalize such models and show that they can be simulated classically in a time polynomial in the dimension of the Lie algebra generated by the Hamiltonians and logarithmic in the dimension of the state space. This leads to a definition of Lie-algebraic “generalized mean-field Hamiltonians.” We show that they are efficiently (exactly) solvable. Our results generalize the known weakness of fermionic linear optics computation and give conditions on control needed to exploit the full power of quantum computing.

  10. Characterizing the parent Hamiltonians for a complete set of orthogonal wave functions: An inverse quantum problem

    NASA Astrophysics Data System (ADS)

    Ramezanpour, A.

    2016-06-01

    We study the inverse problem of constructing an appropriate Hamiltonian from a physically reasonable set of orthogonal wave functions for a quantum spin system. Usually, we are given a local Hamiltonian and our goal is to characterize the relevant wave functions and energies (the spectrum) of the system. Here, we take the opposite approach; starting from a reasonable collection of orthogonal wave functions, we try to characterize the associated parent Hamiltonians, to see how the wave functions and the energy values affect the structure of the parent Hamiltonian. Specifically, we obtain (quasi) local Hamiltonians by a complete set of (multilayer) product states and a local mapping of the energy values to the wave functions. On the other hand, a complete set of tree wave functions (having a tree structure) results to nonlocal Hamiltonians and operators which flip simultaneously all the spins in a single branch of the tree graph. We observe that even for a given set of basis states, the energy spectrum can significantly change the nature of interactions in the Hamiltonian. These effects can be exploited in a quantum engineering problem optimizing an objective functional of the Hamiltonian.

  11. Quantum localization of classical mechanics

    NASA Astrophysics Data System (ADS)

    Batalin, Igor A.; Lavrov, Peter M.

    2016-07-01

    Quantum localization of classical mechanics within the BRST-BFV and BV (or field-antifield) quantization methods are studied. It is shown that a special choice of gauge fixing functions (or BRST-BFV charge) together with the unitary limit leads to Hamiltonian localization in the path integral of the BRST-BFV formalism. In turn, we find that a special choice of gauge fixing functions being proportional to extremals of an initial non-degenerate classical action together with a very special solution of the classical master equation result in Lagrangian localization in the partition function of the BV formalism.

  12. Partial dynamical symmetry in quantum Hamiltonians with higher-order terms.

    PubMed

    García-Ramos, J E; Leviatan, A; Van Isacker, P

    2009-03-20

    A generic procedure is proposed to construct many-body quantum Hamiltonians with partial dynamical symmetry. It is based on a tensor decomposition of the Hamiltonian and allows the construction of a hierarchy of interactions that have selected classes of solvable states. The method is illustrated in the SO(6) limit of the interacting boson model of atomic nuclei and applied to the nucleus 196Pt.

  13. From Model Hamiltonians to ab Initio Hamiltonians and Back Again: Using Single Excitation Quantum Chemistry Methods To Find Multiexciton States in Singlet Fission Materials.

    PubMed

    Mayhall, Nicholas J

    2016-09-13

    Due to the promise of significantly enhanced photovoltaic efficiencies, significant effort has been directed toward understanding and controlling the singlet fission mechanism. Although accurate quantum chemical calculations would provide a detail-rich view of the singlet fission mechanism, this is complicated by the multiexcitonic nature of one of the key intermediates, the (1)(TT) state. Being described as two simultaneous and singlet-coupled triplet excitations on a pair of nearest neighbor monomers, the (1)(TT) state is inherently a multielectronic excitation. This fact renders most single-reference ab initio quantum chemical methods incapable of providing accurate results. This paper serves two purposes: (1) to demonstrate that the multiexciton states in singlet fission materials can be described using a spin-only Hamiltonian and with each monomer treated as a biradical and (2) to propose a very simple procedure for extracting the values for this Hamiltonian from single-reference calculations. Numerical examples are included for a number of different systems, including dimers, trimers, tetramers, and a cluster comprised of seven chromophores.

  14. Testing Nonassociative Quantum Mechanics.

    PubMed

    Bojowald, Martin; Brahma, Suddhasattwa; Büyükçam, Umut

    2015-11-27

    The familiar concepts of state vectors and operators in quantum mechanics rely on associative products of observables. However, these notions do not apply to some exotic systems such as magnetic monopoles, which have long been known to lead to nonassociative algebras. Their quantum physics has remained obscure. This Letter presents the first derivation of potentially testable physical results in nonassociative quantum mechanics, based on effective potentials. They imply new effects which cannot be mimicked in usual quantum mechanics with standard magnetic fields.

  15. 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.

  16. 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

  17. Error Suppression for Hamiltonian-Based Quantum Computation Using Subsystem Codes

    NASA Astrophysics Data System (ADS)

    Marvian, Milad; Lidar, Daniel A.

    2017-01-01

    We present general conditions for quantum error suppression for Hamiltonian-based quantum computation using subsystem codes. This involves encoding the Hamiltonian performing the computation using an error detecting subsystem code and the addition of a penalty term that commutes with the encoded Hamiltonian. The scheme is general and includes the stabilizer formalism of both subspace and subsystem codes as special cases. We derive performance bounds and show that complete error suppression results in the large penalty limit. To illustrate the power of subsystem-based error suppression, we introduce fully two-local constructions for protection against local errors of the swap gate of adiabatic gate teleportation and the Ising chain in a transverse field.

  18. Error Suppression for Hamiltonian-Based Quantum Computation Using Subsystem Codes.

    PubMed

    Marvian, Milad; Lidar, Daniel A

    2017-01-20

    We present general conditions for quantum error suppression for Hamiltonian-based quantum computation using subsystem codes. This involves encoding the Hamiltonian performing the computation using an error detecting subsystem code and the addition of a penalty term that commutes with the encoded Hamiltonian. The scheme is general and includes the stabilizer formalism of both subspace and subsystem codes as special cases. We derive performance bounds and show that complete error suppression results in the large penalty limit. To illustrate the power of subsystem-based error suppression, we introduce fully two-local constructions for protection against local errors of the swap gate of adiabatic gate teleportation and the Ising chain in a transverse field.

  19. Hamiltonian of photons in a single-mode optical fiber for quantum communications protocols

    NASA Astrophysics Data System (ADS)

    Miroshnichenko, G. P.

    2012-05-01

    A phenomenological Hamiltonian of photons in a single-mode stochastic inhomogeneous optical fiber (OF) is derived. Quantization of radiation is performed in the basis of an ideal OF with proper calibration that ensures transversality of the electric-field-displacement vector. Stochastic parameters of the Hamiltonian are determined by using the reciprocal tensor of the dielectric permittivity averaged over the OF segment volume. The Hamiltonian is parametrized by three phenomenological parameters and preserves the number of photons. It is assumed that the segment of the OF is divided into random subsegments with optical parameters defined by the Wiener process with respect to the longitudinal coordinate. The temporal dynamics of the single-photon density matrix is analyzed in the basis of states with orthogonal polarizations. The relative quantum beat error rate in the sifted quantum key distributed according to the BB84 protocol with polarization coding of information averaged over the scatter of the OF parameters is calculated.

  20. Realization of a quantum Hamiltonian Boolean logic gate on the Si(001):H surface.

    PubMed

    Kolmer, Marek; Zuzak, Rafal; Dridi, Ghassen; Godlewski, Szymon; Joachim, Christian; Szymonski, Marek

    2015-08-07

    The design and construction of the first prototypical QHC (Quantum Hamiltonian Computing) atomic scale Boolean logic gate is reported using scanning tunnelling microscope (STM) tip-induced atom manipulation on an Si(001):H surface. The NOR/OR gate truth table was confirmed by dI/dU STS (Scanning Tunnelling Spectroscopy) tracking how the surface states of the QHC quantum circuit on the Si(001):H surface are shifted according to the input logical status.

  1. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  2. The performance of the quantum adiabatic algorithm on spike Hamiltonians

    NASA Astrophysics Data System (ADS)

    Kong, Linghang; Crosson, Elizabeth

    Spike Hamiltonians arise from optimization instances for which the adiabatic algorithm provably out performs classical simulated annealing. In this work, we study the efficiency of the adiabatic algorithm for solving the “the Hamming weight with a spike” problem by analyzing the scaling of the spectral gap at the critical point for various sizes of the barrier. Our main result is a rigorous lower bound on the minimum spectral gap for the adiabatic evolution when the bit-symmetric cost function has a thin but polynomially high barrier, which is based on a comparison argument and an improved variational ansatz for the ground state. We also adapt the discrete WKB method for the case of abruptly changing potentials and compare it with the predictions of the spin coherent instanton method which was previously used by Farhi, Goldstone and Gutmann. Finally, our improved ansatz for the ground state leads to a method for predicting the location of avoided crossings in the excited energy states of the thin spike Hamiltonian, and we use a recursion relation to understand the ordering of some of these avoided crossings as a step towards analyzing the previously observed diabatic cascade phenomenon.

  3. Path Integrals and Hamiltonians

    NASA Astrophysics Data System (ADS)

    Baaquie, Belal E.

    2014-03-01

    1. Synopsis; Part I. Fundamental Principles: 2. The mathematical structure of quantum mechanics; 3. Operators; 4. The Feynman path integral; 5. Hamiltonian mechanics; 6. Path integral quantization; Part II. Stochastic Processes: 7. Stochastic systems; Part III. Discrete Degrees of Freedom: 8. Ising model; 9. Ising model: magnetic field; 10. Fermions; Part IV. Quadratic Path Integrals: 11. Simple harmonic oscillators; 12. Gaussian path integrals; Part V. Action with Acceleration: 13. Acceleration Lagrangian; 14. Pseudo-Hermitian Euclidean Hamiltonian; 15. Non-Hermitian Hamiltonian: Jordan blocks; 16. The quartic potential: instantons; 17. Compact degrees of freedom; Index.

  4. Optical-lattice Hamiltonians for relativistic quantum electrodynamics

    SciTech Connect

    Kapit, Eliot; Mueller, Erich

    2011-03-15

    We show how interpenetrating optical lattices containing Bose-Fermi mixtures can be constructed to emulate the thermodynamics of quantum electrodynamics (QED). We present models of neutral atoms on lattices in 1+1, 2+1, and 3+1 dimensions whose low-energy effective action reduces to that of photons coupled to Dirac fermions of the corresponding dimensionality. We give special attention to (2+1)-dimensional quantum electrodynamics (QED3) and discuss how two of its most interesting features, chiral symmetry breaking and Chern-Simons physics, could be observed experimentally.

  5. Global and local horizon quantum mechanics

    NASA Astrophysics Data System (ADS)

    Casadio, Roberto; Giugno, Andrea; Giusti, Andrea

    2017-02-01

    Horizons are classical causal structures that arise in systems with sharply defined energy and corresponding gravitational radius. A global gravitational radius operator can be introduced for a static and spherically symmetric quantum mechanical matter state by lifting the classical "Hamiltonian" constraint that relates the gravitational radius to the ADM mass, thus giving rise to a "horizon wave-function". This minisuperspace-like formalism is shown here to be able to consistently describe also the local gravitational radius related to the Misner-Sharp mass function of the quantum source, provided its energy spectrum is determined by spatially localised modes.

  6. Is quantum mechanics exact?

    SciTech Connect

    Kapustin, Anton

    2013-06-15

    We formulate physically motivated axioms for a physical theory which for systems with a finite number of degrees of freedom uniquely lead to quantum mechanics as the only nontrivial consistent theory. Complex numbers and the existence of the Planck constant common to all systems arise naturally in this approach. The axioms are divided into two groups covering kinematics and basic measurement theory, respectively. We show that even if the second group of axioms is dropped, there are no deformations of quantum mechanics which preserve the kinematic axioms. Thus, any theory going beyond quantum mechanics must represent a radical departure from the usual a priori assumptions about the laws of nature.

  7. Relativity and Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Brändas, Erkki J.

    2007-12-01

    The old dilemma of quantum mechanics versus the theory of relativity is reconsidered via a first principles relativistically invariant theory. By analytic extension of quantum mechanics into the complex plane one may (i) include dynamical features such as time- and length-scales and (ii) examine the possibility and flexibility of so-called general Jordan block formations. The present viewpoint asks for a new perspective on the age-old problem of quantum mechanics versus the theory of relativity. To bring these ideas together, we will establish the relation with the Klein-Gordon-Dirac relativistic theory and confirm some dynamical features of both the special and the general relativity theory.

  8. Modified Riccati approach to partially solvable quantum Hamiltonians. II. Morse-oscillator-related family

    NASA Astrophysics Data System (ADS)

    Montemayor, R.; Salem, L. D.

    1991-12-01

    We extend the scope of the modified Riccati approach to partial solubility in quantum mechanics introduced in a previous work [L. D. Salem and R. Montemayor, Phys. Rev. A 43, 1169 (1991)]. With the use of adequate mappings u(x), we show the convenience of the modified Riccati approach to analyze potentials that can be written as rational functions on u. The necessary conditions for a Hamiltonian to be solvable are discussed in detail. By considering the exponential mapping u=e-x, we construct a family of potentials related to the exactly solvable Morse oscillator. Within this family, we have identified a three-parameter quasiexactly solvable potential, which, depending on the value of its coupling constants, leads to a symmetric or asymmetric confining potential, with a single-well or a double-well structure. Explicit expressions for the energies and eigenfunctions are given for particular cases. The analytic continuation of the symmetric subset gives rise to a quasiexactly solvable periodic potential.

  9. Ab initio no core calculations of light nuclei and preludes to Hamiltonian quantum field theory

    SciTech Connect

    Vary, J. P.; Maris, P.; Honkanen, H.; Li, J.; Shirokov, A. M.; Brodsky, S. J.; Harindranath, A.

    2009-12-17

    Recent advances in ab initio quantum many-body methods and growth in computer power now enable highly precise calculations of nuclear structure. The precision has attained a level sufficient to make clear statements on the nature of 3-body forces in nuclear physics. Total binding energies, spin-dependent structure effects, and electroweak properties of light nuclei play major roles in pinpointing properties of the underlying strong interaction. Eventually, we anticipate a theory bridge with immense predictive power from QCD through nuclear forces to nuclear structure and nuclear reactions. Light front Hamiltonian quantum field theory offers an attractive pathway and we outline key elements.

  10. Ab initio no core calculations of light nuclei and preludes to Hamiltonian quantum field theory

    SciTech Connect

    Vary, J.P.; Maris, P.; Shirokov, A.M.; Honkanen, H.; li, J.; Brodsky, S.J.; Harindranath, A.; Teramond, G.F.de; /Costa Rica U.

    2009-08-03

    Recent advances in ab initio quantum many-body methods and growth in computer power now enable highly precise calculations of nuclear structure. The precision has attained a level sufficient to make clear statements on the nature of 3-body forces in nuclear physics. Total binding energies, spin-dependent structure effects, and electroweak properties of light nuclei play major roles in pinpointing properties of the underlying strong interaction. Eventually,we anticipate a theory bridge with immense predictive power from QCD through nuclear forces to nuclear structure and nuclear reactions. Light front Hamiltonian quantum field theory offers an attractive pathway and we outline key elements.

  11. On Molchanov's Condition for the Spectrum Discreteness of a Quantum Graph Hamiltonian with δ-Coupling

    NASA Astrophysics Data System (ADS)

    Kovaleva, Maria O.; Popov, Igor Yu.

    2015-10-01

    The spectrum discreteness Molchanov's condition for a potential on the real axis (or half-axis) is well known. The goal of this work is to obtain an analogous condition for a quantum graph. We deal with δ-type conditions at the graph vertices. The Schrödinger operator with a potential is considered at each edge. It is assumed that the graph has infinite leads (edges) or/and infinite chains of vertices such that the neighbouring vertices are connected by finite number of edges. Molchanov-type theorem for the quantum graph Hamiltonian spectrum discreteness is proved.

  12. Quantum Mechanics From the Cradle?

    ERIC Educational Resources Information Center

    Martin, John L.

    1974-01-01

    States that the major problem in learning quantum mechanics is often the student's ignorance of classical mechanics and that one conceptual hurdle in quantum mechanics is its statistical nature, in contrast to the determinism of classical mechanics. (MLH)

  13. Quantum mechanics of Proca fields

    NASA Astrophysics Data System (ADS)

    Zamani, Farhad; Mostafazadeh, Ali

    2009-05-01

    We construct the most general physically admissible positive-definite inner product on the space of Proca fields. Up to a trivial scaling this defines a five-parameter family of Lorentz invariant inner products that we use to construct a genuine Hilbert space for the quantum mechanics of Proca fields. If we identify the generator of time translations with the Hamiltonian, we obtain a unitary quantum system that describes first-quantized Proca fields and does not involve the conventional restriction to the positive-frequency fields. We provide a rather comprehensive analysis of this system. In particular, we examine the conserved current density responsible for the conservation of the probabilities, explore the global gauge symmetry underlying the conservation of the probabilities, obtain a probability current density, construct position, momentum, helicity, spin, and angular momentum operators, and determine the localized Proca fields. We also compute the generalized parity (P), generalized time-reversal (T), and generalized charge or chirality (C) operators for this system and offer a physical interpretation for its PT-, C-, and CPT-symmetries.

  14. Realization of a quantum Hamiltonian Boolean logic gate on the Si(001):H surface

    NASA Astrophysics Data System (ADS)

    Kolmer, Marek; Zuzak, Rafal; Dridi, Ghassen; Godlewski, Szymon; Joachim, Christian; Szymonski, Marek

    2015-07-01

    The design and construction of the first prototypical QHC (Quantum Hamiltonian Computing) atomic scale Boolean logic gate is reported using scanning tunnelling microscope (STM) tip-induced atom manipulation on an Si(001):H surface. The NOR/OR gate truth table was confirmed by dI/dU STS (Scanning Tunnelling Spectroscopy) tracking how the surface states of the QHC quantum circuit on the Si(001):H surface are shifted according to the input logical status.The design and construction of the first prototypical QHC (Quantum Hamiltonian Computing) atomic scale Boolean logic gate is reported using scanning tunnelling microscope (STM) tip-induced atom manipulation on an Si(001):H surface. The NOR/OR gate truth table was confirmed by dI/dU STS (Scanning Tunnelling Spectroscopy) tracking how the surface states of the QHC quantum circuit on the Si(001):H surface are shifted according to the input logical status. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01912e

  15. Grassmann matrix quantum mechanics

    DOE PAGES

    Anninos, Dionysios; Denef, Frederik; Monten, Ruben

    2016-04-21

    We explore quantum mechanical theories whose fundamental degrees of freedom are rectangular matrices with Grassmann valued matrix elements. We study particular models where the low energy sector can be described in terms of a bosonic Hermitian matrix quantum mechanics. We describe the classical curved phase space that emerges in the low energy sector. The phase space lives on a compact Kähler manifold parameterized by a complex matrix, of the type discovered some time ago by Berezin. The emergence of a semiclassical bosonic matrix quantum mechanics at low energies requires that the original Grassmann matrices be in the long rectangular limit.more » In conclusion, we discuss possible holographic interpretations of such matrix models which, by construction, are endowed with a finite dimensional Hilbert space.« less

  16. Grassmann matrix quantum mechanics

    SciTech Connect

    Anninos, Dionysios; Denef, Frederik; Monten, Ruben

    2016-04-21

    We explore quantum mechanical theories whose fundamental degrees of freedom are rectangular matrices with Grassmann valued matrix elements. We study particular models where the low energy sector can be described in terms of a bosonic Hermitian matrix quantum mechanics. We describe the classical curved phase space that emerges in the low energy sector. The phase space lives on a compact Kähler manifold parameterized by a complex matrix, of the type discovered some time ago by Berezin. The emergence of a semiclassical bosonic matrix quantum mechanics at low energies requires that the original Grassmann matrices be in the long rectangular limit. In conclusion, we discuss possible holographic interpretations of such matrix models which, by construction, are endowed with a finite dimensional Hilbert space.

  17. Copenhagen quantum mechanics

    NASA Astrophysics Data System (ADS)

    Hollowood, Timothy J.

    2016-07-01

    In our quantum mechanics courses, measurement is usually taught in passing, as an ad-hoc procedure involving the ugly collapse of the wave function. No wonder we search for more satisfying alternatives to the Copenhagen interpretation. But this overlooks the fact that the approach fits very well with modern measurement theory with its notions of the conditioned state and quantum trajectory. In addition, what we know of as the Copenhagen interpretation is a later 1950s development and some of the earlier pioneers like Bohr did not talk of wave function collapse. In fact, if one takes these earlier ideas and mixes them with later insights of decoherence, a much more satisfying version of Copenhagen quantum mechanics emerges, one for which the collapse of the wave function is seen to be a harmless book keeping device. Along the way, we explain why chaotic systems lead to wave functions that spread out quickly on macroscopic scales implying that Schrödinger cat states are the norm rather than curiosities generated in physicists' laboratories. We then describe how the conditioned state of a quantum system depends crucially on how the system is monitored illustrating this with the example of a decaying atom monitored with a time of arrival photon detector, leading to Bohr's quantum jumps. On the other hand, other kinds of detection lead to much smoother behaviour, providing yet another example of complementarity. Finally we explain how classical behaviour emerges, including classical mechanics but also thermodynamics.

  18. An efficient matrix product operator representation of the quantum chemical Hamiltonian

    SciTech Connect

    Keller, Sebastian Reiher, Markus; Dolfi, Michele Troyer, Matthias

    2015-12-28

    We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from the point of view of Hilbert space decimation and attained higher performance compared to straightforward implementations of matrix product based DMRG. The latter variationally optimizes a class of ansatz states known as matrix product states, where operators are correspondingly represented as matrix product operators (MPOs). The MPO construction scheme presented here eliminates the previous performance disadvantages while retaining the additional flexibility provided by a matrix product approach, for example, the specification of expectation values becomes an input parameter. In this way, MPOs for different symmetries — abelian and non-abelian — and different relativistic and non-relativistic models may be solved by an otherwise unmodified program.

  19. Reptation quantum Monte Carlo algorithm for lattice Hamiltonians with a directed-update scheme.

    PubMed

    Carleo, Giuseppe; Becca, Federico; Moroni, Saverio; Baroni, Stefano

    2010-10-01

    We provide an extension to lattice systems of the reptation quantum Monte Carlo algorithm, originally devised for continuous Hamiltonians. For systems affected by the sign problem, a method to systematically improve upon the so-called fixed-node approximation is also proposed. The generality of the method, which also takes advantage of a canonical worm algorithm scheme to measure off-diagonal observables, makes it applicable to a vast variety of quantum systems and eases the study of their ground-state and excited-state properties. As a case study, we investigate the quantum dynamics of the one-dimensional Heisenberg model and we provide accurate estimates of the ground-state energy of the two-dimensional fermionic Hubbard model.

  20. Topological characterization of fractional quantum Hall ground states from microscopic Hamiltonians.

    PubMed

    Zaletel, Michael P; Mong, Roger S K; Pollmann, Frank

    2013-06-07

    We show how to numerically calculate several quantities that characterize topological order starting from a microscopic fractional quantum Hall Hamiltonian. To find the set of degenerate ground states, we employ the infinite density matrix renormalization group method based on the matrix-product state representation of fractional quantum Hall states on an infinite cylinder. To study localized quasiparticles of a chosen topological charge, we use pairs of degenerate ground states as boundary conditions for the infinite density matrix renormalization group. We then show that the wave function obtained on the infinite cylinder geometry can be adapted to a torus of arbitrary modular parameter, which allows us to explicitly calculate the non-Abelian Berry connection associated with the modular T transformation. As a result, the quantum dimensions, topological spins, quasiparticle charges, chiral central charge, and Hall viscosity of the phase can be obtained using data contained entirely in the entanglement spectrum of an infinite cylinder.

  1. An efficient matrix product operator representation of the quantum chemical Hamiltonian.

    PubMed

    Keller, Sebastian; Dolfi, Michele; Troyer, Matthias; Reiher, Markus

    2015-12-28

    We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications. Existing implementations of DMRG for quantum chemistry are based on the traditional formulation of the method, which was developed from the point of view of Hilbert space decimation and attained higher performance compared to straightforward implementations of matrix product based DMRG. The latter variationally optimizes a class of ansatz states known as matrix product states, where operators are correspondingly represented as matrix product operators (MPOs). The MPO construction scheme presented here eliminates the previous performance disadvantages while retaining the additional flexibility provided by a matrix product approach, for example, the specification of expectation values becomes an input parameter. In this way, MPOs for different symmetries - abelian and non-abelian - and different relativistic and non-relativistic models may be solved by an otherwise unmodified program.

  2. Parity-dependent non-commutative quantum mechanics

    NASA Astrophysics Data System (ADS)

    Chung, Won Sang

    2017-01-01

    In this paper, we consider the non-commutative quantum mechanics (NCQM) with parity (or space reflection) in two dimensions. Using the parity operators Ri, we construct the deformed Heisenberg algebra with parity in the non-commutative plane. We use this algebra to discuss the isotropic harmonic Hamiltonian with parity.

  3. ``the Human BRAIN & Fractal quantum mechanics''

    NASA Astrophysics Data System (ADS)

    Rosary-Oyong, Se, Glory

    In mtDNA ever retrieved from Iman Tuassoly, et.al:Multifractal analysis of chaos game representation images of mtDNA''.Enhances the price & valuetales of HE. Prof. Dr-Ing. B.J. HABIBIE's N-219, in J. Bacteriology, Nov 1973 sought:'' 219 exist as separate plasmidDNA species in E.coli & Salmonella panama'' related to ``the brain 2 distinct molecular forms of the (Na,K)-ATPase..'' & ``neuron maintains different concentration of ions(charged atoms'' thorough Rabi & Heisenber Hamiltonian. Further, after ``fractal space time are geometric analogue of relativistic quantum mechanics''[Ord], sought L.Marek Crnjac: ``Chaotic fractals at the root of relativistic quantum physics''& from famous Nottale: ``Scale relativity & fractal space-time:''Application to Quantum Physics , Cosmology & Chaotic systems'',1995. Acknowledgements to HE. Mr. H. TUK SETYOHADI, Jl. Sriwijaya Raya 3, South-Jakarta, INDONESIA.

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

    SciTech Connect

    Cruz, Hans; Schuch, Dieter; Castaños, Octavio; Rosas-Ortiz, Oscar

    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.

  5. Introduction to Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Griffiths, David J.

    2016-09-01

    Part I. Theory: 1. The wave function; 2. Time-independent Schrödinger equation; 3. Formalism; 4. Quantum mechanics in three dimensions; 5. Identical particles; Part II. Applications: 6. Time-independent perturbation theory; 7. The variational principle; 8. The WKB approximation; 9. Time-dependent perturbation theory; 10. The adiabatic approximation; 11. Scattering; 12. Afterword; Appendix. Linear algebra.

  6. Exponentially Biased Ground-State Sampling of Quantum Annealing Machines with Transverse-Field Driving Hamiltonians

    NASA Astrophysics Data System (ADS)

    Mandrà, Salvatore; Zhu, Zheng; Katzgraber, Helmut G.

    2017-02-01

    We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009), 10.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.

  7. Exponentially Biased Ground-State Sampling of Quantum Annealing Machines with Transverse-Field Driving Hamiltonians.

    PubMed

    Mandrà, Salvatore; Zhu, Zheng; Katzgraber, Helmut G

    2017-02-17

    We study the performance of the D-Wave 2X quantum annealing machine on systems with well-controlled ground-state degeneracy. While obtaining the ground state of a spin-glass benchmark instance represents a difficult task, the gold standard for any optimization algorithm or machine is to sample all solutions that minimize the Hamiltonian with more or less equal probability. Our results show that while naive transverse-field quantum annealing on the D-Wave 2X device can find the ground-state energy of the problems, it is not well suited in identifying all degenerate ground-state configurations associated with a particular instance. Even worse, some states are exponentially suppressed, in agreement with previous studies on toy model problems [New J. Phys. 11, 073021 (2009)NJOPFM1367-263010.1088/1367-2630/11/7/073021]. These results suggest that more complex driving Hamiltonians are needed in future quantum annealing machines to ensure a fair sampling of the ground-state manifold.

  8. Bohmian quantum mechanics with quantum trajectories

    NASA Astrophysics Data System (ADS)

    Jeong, Yeuncheol

    The quantum trajectory method in the hydrodynamical formulation of Madelung-Bohm-Takabayasi quantum mechanics is an example of showing the cognitive importance of scientific illustrations and metaphors, especially, in this case, in computational quantum chemistry and electrical engineering. The method involves several numerical schemes of solving a set of hydrodynamical equations of motion for probability density fluids, based on the propagation of those probability density trajectories. The quantum trajectory method gives rise to, for example, an authentic quantum electron transport theory of motion to, among others, classically-minded applied scientists who probably have less of a commitment to traditional quantum mechanics. They were not the usual audience of quantum mechanics and simply choose to use a non-Copenhagen type interpretation to their advantage. Thus, the metaphysical issues physicists had a trouble with are not the main concern of the scientists. With the advantages of a visual and illustrative trajectory, the quantum theory of motion by Bohm effectively bridges quantum and classical physics, especially, in the mesoscale domain. Without having an abrupt shift in actions and beliefs from the classical to the quantum world, scientists and engineers are able to enjoy human cognitive capacities extended into the quantum mechanical domain.

  9. Statistically preferred basis of an open quantum system: its relation to the eigenbasis of a renormalized self-Hamiltonian.

    PubMed

    He, Lewei; Wang, Wen-Ge

    2014-02-01

    We study the problem of the basis of an open quantum system, under a quantum chaotic environment, which is preferred in view of its stationary reduced density matrix (RDM), that is, the basis in which the stationary RDM is diagonal. It is shown that, under an initial condition composed of sufficiently many energy eigenstates of the total system, such a basis is given by the eigenbasis of a renormalized self-Hamiltonian of the system, in the limit of large Hilbert space of the environment. Here, the renormalized self-Hamiltonian is given by the unperturbed self-Hamiltonian plus a certain average of the interaction Hamiltonian over the environmental degrees of freedom. Numerical simulations performed in two models, both with the kicked rotor as the environment, give results consistent with the above analytical predictions.

  10. A Transfer Hamiltonian Model for Devices Based on Quantum Dot Arrays

    PubMed Central

    Illera, S.; Prades, J. D.; Cirera, A.; Cornet, A.

    2015-01-01

    We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide. PMID:25879055

  11. Hamiltonian engineering for robust quantum state transfer and qubit readout in cavity QED

    NASA Astrophysics Data System (ADS)

    Beaudoin, Félix; Blais, Alexandre; Coish, W. A.

    2017-02-01

    Quantum state transfer into a memory, state shuttling over long distances via a quantum bus, and high-fidelity readout are important tasks for quantum technology. Realizing these tasks is challenging in the presence of realistic couplings to an environment. Here, we introduce and assess protocols that can be used in cavity quantum electrodynamics to perform high-fidelity quantum state transfer and fast quantum nondemolition qubit readout through Hamiltonian engineering. We show that high-fidelity state transfer between a cavity and a single qubit can be performed, even in the limit of strong dephasing due to inhomogeneous broadening. We generalize this result to state transfer between a cavity and a logical qubit encoded in a collective mode of a large ensemble of N physical qubits. Under a decoupling sequence, we show that inhomogeneity in the ensemble couples two collective bright states to only two other collective modes, leaving the remaining N-3 single-excitation states dark. Moreover, we show that large signal-to-noise and high single-shot fidelity can be achieved in a cavity-based qubit readout, even in the weak-coupling limit. These ideas may be important for novel systems coupling single spins to a microwave cavity.

  12. A transfer hamiltonian model for devices based on quantum dot arrays.

    PubMed

    Illera, S; Prades, J D; Cirera, A; Cornet, A

    2015-01-01

    We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the system and it is based on the Transfer Hamiltonian approach. A set of noncoherent rate equations can be written and the interaction between the quantum dots and between the quantum dots and the electrodes is introduced by transition rates and capacitive couplings. A realistic modelization of the capacitive couplings, the transmission coefficients, the electron/hole tunneling currents, and the density of states of each quantum dot have been taken into account. The effects of the local potential are computed within the self-consistent field regime. While the description of the theoretical framework is kept as general as possible, two specific prototypical devices, an arbitrary array of quantum dots embedded in a matrix insulator and a transistor device based on quantum dots, are used to illustrate the kind of unique insight that numerical simulations based on the theory are able to provide.

  13. Epigenetics: Biology's Quantum Mechanics.

    PubMed

    Jorgensen, Richard A

    2011-01-01

    The perspective presented here is that modern genetics is at a similar stage of development as were early formulations of quantum mechanics theory in the 1920s and that in 2010 we are at the dawn of a new revolution in genetics that promises to enrich and deepen our understanding of the gene and the genome. The interrelationships and interdependence of two views of the gene - the molecular biological view and the epigenetic view - are explored, and it is argued that the classical molecular biological view is incomplete without incorporation of the epigenetic perspective and that in a sense the molecular biological view has been evolving to include the epigenetic view. Intriguingly, this evolution of the molecular view toward the broader and more inclusive epigenetic view of the gene has an intriguing, if not precise, parallel in the evolution of concepts of atomic physics from Newtonian mechanics to quantum mechanics that are interesting to consider.

  14. Solvable time-dependent models in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Cordero-Soto, Ricardo J.

    In the traditional setting of quantum mechanics, the Hamiltonian operator does not depend on time. While some Schrodinger equations with time-dependent Hamiltonians have been solved, explicitly solvable cases are typically scarce. This thesis is a collection of papers in which this first author along with Suslov, Suazo, and Lopez, has worked on solving a series of Schrodinger equations with a time-dependent quadratic Hamiltonian that has applications in problems of quantum electrodynamics, lasers, quantum devices such as quantum dots, and external varying fields. In particular the author discusses a new completely integrable case of the time-dependent Schrodinger equation in Rn with variable coefficients for a modified oscillator, which is dual with respect to the time inversion to a model of the quantum oscillator considered by Meiler, Cordero-Soto, and Suslov. A second pair of dual Hamiltonians is found in the momentum representation. Our examples show that in mathematical physics and quantum mechanics a change in the direction of time may require a total change of the system dynamics in order to return the system back to its original quantum state. The author also considers several models of the damped oscillators in nonrelativistic quantum mechanics in a framework of a general approach to the dynamics of the time-dependent Schrodinger equation with variable quadratic Hamiltonians. The Green functions are explicitly found in terms of elementary functions and the corresponding gauge transformations are discussed. The factorization technique is applied to the case of a shifted harmonic oscillator. The time-evolution of the expectation values of the energy related operators is determined for two models of the quantum damped oscillators under consideration. The classical equations of motion for the damped oscillations are derived for the corresponding expectation values of the position operator. Finally, the author constructs integrals of motion for several models

  15. Hamiltonian theory of the fractional quantum Hall effect: Conserving approximation for incompressible fractions

    NASA Astrophysics Data System (ADS)

    Murthy, Ganpathy

    2001-11-01

    A microscopic Hamiltonian theory of the fractional quantum Hall effect developed by Shankar and the present author based on the fermionic Chern-Simons approach has recently been quite successful in calculating gaps and finite-tempertature properties in fractional quantum Hall states. Initially proposed as a small-q theory, it was subsequently extended by Shankar to form an algebraically consistent theory for all q in the lowest Landau level. Such a theory is amenable to a conserving approximation in which the constraints have vanishing correlators and decouple from physical response functions. Properties of the incompressible fractions are explored in this conserving approximation, including the magnetoexciton dispersions and the evolution of the small-q structure factor as ν-->12. Finally, a formalism capable of dealing with a nonuniform ground-state charge density is developed and used to show how the correct fractional value of the quasiparticle charge emerges from the theory.

  16. Quantum mechanics and quantum information theory

    NASA Astrophysics Data System (ADS)

    van Camp, Wesley William

    The principle aim of this dissertation is to investigate the philosophical application of quantum information theory to interpretational issues regarding the theory of quantum mechanics. Recently, quantum information theory has emerged as a potential source for such an interpretation. The main question with which this dissertation will be concerned is whether or not an information-theoretic interpretation can serve as a conceptually acceptable interpretation of quantum mechanics. It will be argued that some of the more obvious approaches -- that quantum information theory shows us that ultimately the world is made of information, and quantum Bayesianism -- fail as philosophical interpretations of quantum mechanics. However, the information-theoretic approach of Clifton, Bub, and Halvorson introduces Einstein's distinction between principle theories and constructive theories, arguing that quantum mechanics is best understood as an information-theoretic principle theory. While I argue that this particular approach fails, it does offer a viable new philosophical role for information theory. Specifically, an investigation of interpretationally successful principle theories such as Newtonian mechanics, special relativity, and general relativity, shows that the particular principles employed are necessary as constitutive elements of a framework which partially defines the basic explanatory concepts of space, time, and motion. Without such constitutive principles as preconditions for empirical meaning, scientific progress is hampered. It is argued that the philosophical issues in quantum mechanics stem from an analogous conceptual crisis. On the basis of this comparison, the best strategy for resolving these problems is to apply a similar sort of conceptual analysis to quantum mechanics so as to provide an appropriate set of constitutive principles clarifying the conceptual issues at stake. It is further argued that quantum information theory is ideally placed as a novel

  17. Algorithmic approach to simulate Hamiltonian dynamics and an NMR simulation of quantum state transfer

    NASA Astrophysics Data System (ADS)

    Ajoy, Ashok; Rao, Rama Koteswara; Kumar, Anil; Rungta, Pranaw

    2012-03-01

    We propose an iterative algorithm to simulate the dynamics generated by any n-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator U (unitary) into a product of different time-step unitaries. The algorithm product-decomposes U in a chosen operator basis by identifying a certain symmetry of U that is intimately related to the number of gates in the decomposition. We illustrate the algorithm by first obtaining a polynomial decomposition in the Pauli basis of the n-qubit quantum state transfer unitary by Di Franco [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.101.230502 101, 230502 (2008)] that transports quantum information from one end of a spin chain to the other, and then implement it in nuclear magnetic resonance to demonstrate that the decomposition is experimentally viable. We further experimentally test the resilience of the state transfer to static errors in the coupling parameters of the simulated Hamiltonian. This is done by decomposing and simulating the corresponding imperfect unitaries.

  18. Quantum Mechanics, Volume 1

    NASA Astrophysics Data System (ADS)

    Cohen-Tannoudji, Claude; Diu, Bernard; Laloe, Frank

    1986-06-01

    Beginning students of quantum mechanics frequently experience difficulties separating essential underlying principles from the specific examples to which these principles have been historically applied. Nobel-Prize-winner Claude Cohen-Tannoudji and his colleagues have written this book to eliminate precisely these difficulties. Fourteen chapters provide a clarity of organization, careful attention to pedagogical details, and a wealth of topics and examples which make this work a textbook as well as a timeless reference, allowing to tailor courses to meet students' specific needs. Each chapter starts with a clear exposition of the problem which is then treated, and logically develops the physical and mathematical concept. These chapters emphasize the underlying principles of the material, undiluted by extensive references to applications and practical examples which are put into complementary sections. The book begins with a qualitative introduction to quantum mechanical ideas using simple optical analogies and continues with a systematic and thorough presentation of the mathematical tools and postulates of quantum mechanics as well as a discussion of their physical content. Applications follow, starting with the simplest ones like e.g. the harmonic oscillator, and becoming gradually more complicated (the hydrogen atom, approximation methods, etc.). The complementary sections each expand this basic knowledge, supplying a wide range of applications and related topics as well as detailed expositions of a large number of special problems and more advanced topics, integrated as an essential portion of the text.

  19. Quantum evolution: The case of weak localization for a 3D alloy-type Anderson model and application to Hamiltonian based quantum computation

    NASA Astrophysics Data System (ADS)

    Cao, Zhenwei

    Over the years, people have found Quantum Mechanics to be extremely useful in explaining various physical phenomena from a microscopic point of view. Anderson localization, named after physicist P. W. Anderson, states that disorder in a crystal can cause non-spreading of wave packets, which is one possible mechanism (at single electron level) to explain metal-insulator transitions. The theory of quantum computation promises to bring greater computational power over classical computers by making use of some special features of Quantum Mechanics. The first part of this dissertation considers a 3D alloy-type model, where the Hamiltonian is the sum of the finite difference Laplacian corresponding to free motion of an electron and a random potential generated by a sign-indefinite single-site potential. The result shows that localization occurs in the weak disorder regime, i.e., when the coupling parameter lambda is very small, for energies E ≤ --Clambda 2. The second part of this dissertation considers adiabatic quantum computing (AQC) algorithms for the unstructured search problem to the case when the number of marked items is unknown. In an ideal situation, an explicit quantum algorithm together with a counting subroutine are given that achieve the optimal Grover speedup over classical algorithms, i.e., roughly speaking, reduce O(2n) to O(2n/2), where n is the size of the problem. However, if one considers more realistic settings, the result shows this quantum speedup is achievable only under a very rigid control precision requirement (e.g., exponentially small control error).

  20. New solutions of the hamiltonian and diffeomorphism constraints of quantum gravity from a highest weight loop representation

    NASA Astrophysics Data System (ADS)

    Aldaya, V.; Navarro-Salas, J.

    1991-04-01

    We introduce a highest weight type representation of the Rovelli-Smolin algebra of loop observables for quantum gravity. In terms of this representation, new solutions of the hamiltonian and diffeomorphism constraints are given. Assuming the locality of the quantum hamiltonian constraint we show that any functional depending on the generalized link class of the disjoint union of arbitrary simple loops is a solution. Finally we argue that this is the general solution in the irreducible representation space. On leave of absence from the Departamento de Fisica Teorica, Universidad de Valencia, and IFIC, Centro Mixto Universidad de Valencia - CSIC, Burjassot, Spain.

  1. Nontrivial systems and the necessity of the scalar quantum mechanics axioms

    SciTech Connect

    Kotulek, Jan

    2009-06-15

    We discuss the necessity of the axioms of scalar quantum mechanics introduced by Paschke and clearly demonstrate their geometric and/or physical meaning. We show that reasonable nonrelativistic quantum mechanics is exactly specified by the axioms. A system describing the electric Aharonov-Bohm effect is presented. It illustrates the topological obstructions for the existence of a Hamiltonian.

  2. Gaussian effective potential: Quantum mechanics

    NASA Astrophysics Data System (ADS)

    Stevenson, P. M.

    1984-10-01

    We advertise the virtues of the Gaussian effective potential (GEP) as a guide to the behavior of quantum field theories. Much superior to the usual one-loop effective potential, the GEP is a natural extension of intuitive notions familiar from quantum mechanics. A variety of quantum-mechanical examples are studied here, with an eye to field-theoretic analogies. Quantum restoration of symmetry, dynamical mass generation, and "quantum-mechanical resuscitation" are among the phenomena discussed. We suggest how the GEP could become the basis of a systematic approximation procedure. A companion paper will deal with scalar field theory.

  3. Quantum Mechanics and Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Dimock, Jonathan

    2011-02-01

    Introduction; Part I. Non-relativistic: 1. Mathematical prelude; 2. Classical mechanics; 3. Quantum mechanics; 4. Single particle; 5. Many particles; 6. Statistical mechanics; Part II. Relativistic: 7. Relativity; 8. Scalar particles and fields; 9. Electrons and photons; 10. Field theory on a manifold; Part III. Probabilistic Methods: 11. Path integrals; 12. Fields as random variables; 13. A nonlinear field theory; Appendices; References; Index.

  4. Effective quantum-memory Hamiltonian from local two-body interactions

    NASA Astrophysics Data System (ADS)

    Hutter, Adrian; Pedrocchi, Fabio L.; Wootton, James R.; Loss, Daniel

    2014-07-01

    In Phys. Rev. A 88, 062313 (2013), 10.1103/PhysRevA.88.062313 we proposed and studied a model for a self-correcting quantum memory in which the energetic cost for introducing a defect in the memory grows without bounds as a function of system size. This positive behavior is due to attractive long-range interactions mediated by a bosonic field to which the memory is coupled. The crucial ingredients for the implementation of such a memory are the physical realization of the bosonic field as well as local five-body interactions between the stabilizer operators of the memory and the bosonic field. Here, we show that both of these ingredients appear in a low-energy effective theory of a Hamiltonian that involves only two-body interactions between neighboring spins. In particular, we consider the low-energy, long-wavelength excitations of an ordered Heisenberg ferromagnet (magnons) as a realization of the bosonic field. Furthermore, we present perturbative gadgets for generating the required five-spin operators. Our Hamiltonian involving only local two-body interactions is thus expected to exhibit self-correcting properties as long as the noise affecting it is in the regime where the effective low-energy description remains valid.

  5. Dissipative quantum dynamics with the surrogate Hamiltonian approach. A comparison between spin and harmonic baths

    NASA Astrophysics Data System (ADS)

    Gelman, David; Koch, Christiane P.; Kosloff, Ronnie

    2004-07-01

    The dissipative quantum dynamics of an anharmonic oscillator coupled to a bath is studied with the purpose of elucidating the differences between the relaxation to a spin bath and to a harmonic bath. Converged results are obtained for the spin bath by the surrogate Hamiltonian approach. This method is based on constructing a system-bath Hamiltonian, with a finite but large number of spin bath modes, that mimics exactly a bath with an infinite number of modes for a finite time interval. Convergence with respect to the number of simultaneous excitations of bath modes can be checked. The results are compared to calculations that include a finite number of harmonic modes carried out by using the multiconfiguration time-dependent Hartree method of Nest and Meyer [J. Chem. Phys. 119, 24 (2003)]. In the weak coupling regime, at zero temperature and for small excitations of the primary system, both methods converge to the Markovian limit. When initially the primary system is significantly excited, the spin bath can saturate restricting the energy acceptance. An interaction term between bath modes that spreads the excitation eliminates the saturation. The loss of phase between two cat states has been analyzed and the results for the spin and harmonic baths are almost identical. For stronger couplings, the dynamics induced by the two types of baths deviate. The accumulation and degree of entanglement between the bath modes have been characterized. Only in the spin bath the dynamics generate entanglement between the bath modes.

  6. Bell's theorem and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Rosen, Nathan

    1994-02-01

    Bell showed that assuming locality leads to a disagreement with quantum mechanics. Here the nature of the nonlocality that follows from quantum mechanics is investigated. Note by the Editor—Readers will recognize Professor Rosen, author of this paper, as one of the co-authors of the famous EPR paper, Albert Einstein, Boris Podolsky, and Nathan Rosen, ``Can Quantum-Mechanical Description of Physical Reality be considered Complete?'', Phys. Rev. 47, 770-780 (1935). Robert H. Romer, Editor

  7. Diagrammatic quantum mechanics

    NASA Astrophysics Data System (ADS)

    Kauffman, Louis H.; Lomonaco, Samuel J.

    2015-05-01

    This paper explores how diagrams of quantum processes can be used for modeling and for quantum epistemology. The paper is a continuation of the discussion where we began this formulation. Here we give examples of quantum networks that represent unitary transformations by dint of coherence conditions that constitute a new form of non-locality. Local quantum devices interconnected in space can form a global quantum system when appropriate coherence conditions are maintained.

  8. Klein's programme and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Clemente-Gallardo, Jesús; Marmo, Giuseppe

    2015-04-01

    We review the geometrical formulation of quantum mechanics to identify, according to Klein's programme, the corresponding group of transformations. For closed systems, it is the unitary group. For open quantum systems, the semigroup of Kraus maps contains, as a maximal subgroup, the general linear group. The same group emerges as the exponentiation of the C*-algebra associated with the quantum system, when thought of as a Lie algebra. Thus, open quantum systems seem to identify the general linear group as associated with quantum mechanics and moreover suggest to extend the Klein programme also to groupoids. The usual unitary group emerges as a maximal compact subgroup of the general linear group.

  9. Decoherence in quantum mechanics and quantum cosmology

    NASA Technical Reports Server (NTRS)

    Hartle, James B.

    1992-01-01

    A sketch of the quantum mechanics for closed systems adequate for cosmology is presented. This framework is an extension and clarification of that of Everett and builds on several aspects of the post-Everett development. It especially builds on the work of Zeh, Zurek, Joos and Zeh, and others on the interactions of quantum systems with the larger universe and on the ideas of Griffiths, Omnes, and others on the requirements for consistent probabilities of histories.

  10. PT quantum mechanics.

    PubMed

    Bender, Carl M; DeKieviet, Maarten; Klevansky, S P

    2013-04-28

    PT-symmetric quantum mechanics (PTQM) has become a hot area of research and investigation. Since its beginnings in 1998, there have been over 1000 published papers and more than 15 international conferences entirely devoted to this research topic. Originally, PTQM was studied at a highly mathematical level and the techniques of complex variables, asymptotics, differential equations and perturbation theory were used to understand the subtleties associated with the analytic continuation of eigenvalue problems. However, as experiments on PT-symmetric physical systems have been performed, a simple and beautiful physical picture has emerged, and a PT-symmetric system can be understood as one that has a balanced loss and gain. Furthermore, the PT phase transition can now be understood intuitively without resorting to sophisticated mathematics. Research on PTQM is following two different paths: at a fundamental level, physicists are attempting to understand the underlying mathematical structure of these theories with the long-range objective of applying the techniques of PTQM to understanding some of the outstanding problems in physics today, such as the nature of the Higgs particle, the properties of dark matter, the matter-antimatter asymmetry in the universe, neutrino oscillations and the cosmological constant; at an applied level, new kinds of PT-synthetic materials are being developed, and the PT phase transition is being observed in many physical contexts, such as lasers, optical wave guides, microwave cavities, superconducting wires and electronic circuits. The purpose of this Theme Issue is to acquaint the reader with the latest developments in PTQM. The articles in this volume are written in the style of mini-reviews and address diverse areas of the emerging and exciting new area of PT-symmetric quantum mechanics.

  11. Some theoretical aspects of quantum mechanical equations in Rindler space

    NASA Astrophysics Data System (ADS)

    Mitra, Soma; Chakrabarty, Somenath

    2017-03-01

    In this article we have investigated theoretical aspects of the solutions of some of the quantum mechanical problems in Rindler space. We have developed formalisms for the exact analytical solutions for the relativistic equations, along with the approximate form of solutions for the Schrödinger equation. The Hamiltonian operator in Rindler space is found to be non-Hermitian in nature, whereas the energy eigen values are observed to be real in nature. We have noticed that the sole reason behind such real behavior is the PT -symmetric form of the Hamiltonian operator. We have also observed that the energy eigen values are negative, lineraly quantized and the quantum mechanical system becomes more and more bound with the increase in the strength of gravitational field strength produced by the strongly gravitating objects, e.g., black holes, which is classical in nature.

  12. Gapped two-body hamiltonian whose unique ground state is universal for one-way quantum computation.

    PubMed

    Chen, Xie; Zeng, Bei; Gu, Zheng-Cheng; Yoshida, Beni; Chuang, Isaac L

    2009-06-05

    Many-body entangled quantum states studied in condensed matter physics can be primary resources for quantum information, allowing any quantum computation to be realized using measurements alone, on the state. Such a universal state would be remarkably valuable, if only it were thermodynamically stable and experimentally accessible, by virtue of being the unique ground state of a physically reasonable Hamiltonian made of two-body, nearest-neighbor interactions. We introduce such a state, composed of six-state particles on a hexagonal lattice, and describe a general method for analyzing its properties based on its projected entangled pair state representation.

  13. Principles of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Landé, Alfred

    2013-10-01

    ödinger's equation for non-conservative systems; 46. Pertubation theory; 47. Orthogonality, normalization and Hermitian conjugacy; 48. General matrix elements; Part IV. The Principle of Correspondence: 49. Contact transformations in classical mechanics; 50. Point transformations; 51. Contact transformations in quantum mechanics; 52. Constants of motion and angular co-ordinates; 53. Periodic orbits; 54. De Broglie and Schrödinger function; correspondence to classical mechanics; 55. Packets of probability; 56. Correspondence to hydrodynamics; 57. Motion and scattering of wave packets; 58. Formal correspondence between classical and quantum mechanics; Part V. Mathematical Appendix: Principle of Invariance: 59. The general theorem of transformation; 60. Operator calculus; 61. Exchange relations; three criteria for conjugacy; 62. First method of canonical transformation; 63. Second method of canonical transformation; 64. Proof of the transformation theorem; 65. Invariance of the matrix elements against unitary transformations; 66. Matrix mechanics; Index of literature; Index of names and subjects.

  14. QUANTUM MECHANICS WITHOUT STATISTICAL POSTULATES

    SciTech Connect

    G. GEIGER; ET AL

    2000-11-01

    The Bohmian formulation of quantum mechanics describes the measurement process in an intuitive way without a reduction postulate. Due to the chaotic motion of the hidden classical particle all statistical features of quantum mechanics during a sequence of repeated measurements can be derived in the framework of a deterministic single system theory.

  15. An approach to nonstandard quantum mechanics

    NASA Astrophysics Data System (ADS)

    Raab, A.

    2004-12-01

    We use nonstandard analysis to formulate quantum mechanics in hyperfinite-dimensional spaces. Self-adjoint operators on hyperfinite-dimensional spaces have complete eigensets, and bound states and continuum states of a Hamiltonian can thus be treated on an equal footing. We show that the formalism extends the standard formulation of quantum mechanics. To this end we develop the Loeb-function calculus in nonstandard hulls. The idea is to perform calculations in a hyperfinite-dimensional space, but to interpret expectation values in the corresponding nonstandard hull. We further apply the framework to nonrelativistic quantum scattering theory. For time-dependent scattering theory, we identify the starting time and the finishing time of a scattering experiment, and we obtain a natural separation of time scales on which the preparation process, the interaction process, and the detection process take place. For time-independent scattering theory, we derive rigorously explicit formulas for the Mo/ller wave operators and the S-matrix.

  16. On some hydrodynamical aspects of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Spera, Mauro

    2010-02-01

    In this note we first set up an analogy between spin and vorticity of a perfect 2d-fluid flow, based on the complex polynomial ( i.e. Borel-Weil) realization of the irreducible unitary representations of SU(2), and looking at the Madelung-Bohm velocity attached to the ensuing spin wave functions. We also show that, in the framework of finite dimensional geometric quantum mechanics, the Schrödinger velocity field on projective Hilbert space is divergence-free (being Killing with respect to the Fubini-Study metric) and fulfils the stationary Euler equation, with pressure proportional to the Hamiltonian uncertainty (squared). We explicitly determine the critical points of the pressure of this “Schrödinger fluid”, together with its vorticity, which turns out to depend on the spacings of the energy levels. These results follow from hydrodynamical properties of Killing vector fields valid in any (finite dimensional) Riemannian manifold, of possible independent interest.

  17. On some hydrodynamical aspects of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Spera, Mauro

    2010-02-01

    In this note we first set up an analogy between spin and vorticity of a perfect 2d-fluid flow, based on the complex polynomial (i.e. Borel-Weil) realization of the irreducible unitary representations of SU(2), and looking at the Madelung-Bohm velocity attached to the ensuing spin wave functions. We also show that, in the framework of finite dimensional geometric quantum mechanics, the Schrödinger velocity field on projective Hilbert space is divergence-free (being Killing with respect to the Fubini-Study metric) and fulfils the stationary Euler equation, with pressure proportional to the Hamiltonian uncertainty (squared). We explicitly determine the critical points of the pressure of this "Schrödinger fluid", together with its vorticity, which turns out to depend on the spacings of the energy levels. These results follow from hydrodynamical properties of Killing vector fields valid in any (finite dimensional) Riemannian manifold, of possible independent interest.

  18. Hamiltonian formulation of general relativity.

    NASA Astrophysics Data System (ADS)

    Teitelboim, Claudio

    The following sections are included: * INTRODUCTION * HAMILTONIAN FORMULATION OF GAUGE THEORIES (PRE-BRST) * BRST HAMILTONIAN FORMULATION OF GAUGE THEORIES * DYNAMICS OF GRAVITATIONAL FIELD * DOES THE HAMILTONIAN VANISH? GENERAL COVARIANCE AS AN "ORDINARY" GAUGE INVARIANCE * GENERALLY COVARIANT SYSTEMS * TIME AS A CANONICAL VARIABLE. ZERO HAMILTONIAN * Parametrized Systems * Zero Hamiltonian * Parametrization and Explicit Time Dependence * TIME REPARAMETRIZATION INVARIANCE * Form of Gauge Transformations * Must the Hamiltonian be Zero for a Generally Covariant System? * Simple Example of a Generally Covariant System with a Nonzero Hamiltonian * "TRUE DYNAMICS" VERSUS GAUGE TRANSFORMATIONS * Interpretation of the Formalism * Reduced Phase Space * MUST TIME FLOW? * GAUGE INDEPENDENCE OF PATH INTEGRAL FOR A PARAMETRIZED SYSTEM ILLUSTRATED. EQUIVALENCE OF THE GAUGES t = τ AND t = 0 * Reduced Phase Space Transition Amplitude as a Reduced Phase Space Path Integral * Canonical Gauge Conditions * Gauge t = 0 * Gauge t α τ * BRST CHARGE OF GRAVITATIONAL FIELD * ELEMENTS OF BRST THEORY * THE GHOST, YOU'VE COME A LONG WAY BABY * Introduction * Quantum mechanics, the art of finding and combining simple elementary processes * Ghosts necessary to keep elementary processes simple * BRST symmetry: ghosts and matter become different components of single geometrical object * BRST SYMMETRY IN CLASSICAL MECHANICS * Ghosts have role in classical mechanics * Gauge invariance and constraints * Classical mechanics over Grassmann algebra necessary * Higher order structure functions * Rank defined. Open algebras * Ghosts. Ghost number. BRST generator as generating function for structure functions * A belianization of constraints. Existence of Ω * Uniqueness of Ω * Classical BRST cohomology * QUANTUM BRST THEORY * States and operators * Ghost number * BRST invariant states * Quantum BRST cohomology * Equivalence of the BRST physical subspace with the conventional gauge

  19. Projection formalism for constrained dynamical systems: from Newtonian to Hamiltonian mechanics.

    PubMed

    Kneller, Gerald R

    2007-10-28

    The Hamiltonian of a holonomically constrained dynamical many-particle system in Cartesian coordinates has been recently derived for applications in statistical mechanics [G. R. Kneller, J. Chem. Phys. 125, 114107 (2006)]. Using the same projector formalism, we show here the equivalence of the corresponding equations of motion with those obtained from a Newtonian and a Lagrangian description. In the case of Newtonian mechanics, the general case of nonholonomic constraints is considered, too.

  20. Communication: Quantum mechanics without wavefunctions

    SciTech Connect

    Schiff, Jeremy; Poirier, Bill

    2012-01-21

    We present a self-contained formulation of spin-free non-relativistic quantum mechanics that makes no use of wavefunctions or complex amplitudes of any kind. Quantum states are represented as ensembles of real-valued quantum trajectories, obtained by extremizing an action and satisfying energy conservation. The theory applies for arbitrary configuration spaces and system dimensionalities. Various beneficial ramifications--theoretical, computational, and interpretational--are discussed.

  1. Hamiltonian purification

    SciTech Connect

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

    2015-12-15

    The problem of Hamiltonian purification introduced by Burgarth et al. [Nat. Commun. 5, 5173 (2014)] is formalized and discussed. Specifically, given a set of non-commuting Hamiltonians (h{sub 1}, …, h{sub m}) operating on a d-dimensional quantum system ℋ{sub d}, the problem consists in identifying a set of commuting Hamiltonians (H{sub 1}, …, H{sub m}) operating on a larger d{sub E}-dimensional system ℋ{sub d{sub E}} which embeds ℋ{sub d} as a proper subspace, such that h{sub j} = PH{sub j}P with P being the projection which allows one to recover ℋ{sub d} from ℋ{sub d{sub E}}. The notions of spanning-set purification and generator purification of an algebra are also introduced and optimal solutions for u(d) are provided.

  2. Determinant quantum Monte Carlo study of d -wave pairing in the plaquette Hubbard hamiltonian

    DOE PAGES

    Ying, T.; Mondaini, R.; Sun, X. D.; ...

    2014-08-13

    We used the determinant Quantum Monte Carlo (DQMC) to determine the pairing and magnetic response for a Hubbard model built up from four-site clusters - a two-dimensional square lattice consisting of elemental 2x2 plaquettes with hopping t and on-site repulsion U coupled by an interplaquette hopping t' ≤ t. Superconductivity in this geometry has previously been studied by a variety of analytic and numeric methods, with differing conclusions concerning whether the pairing correlations and transition temperature are raised near half-filling by the inhomogeneous hopping or not. For U/t = 4, DQMC indicates an optimal t'/t ≈ 0.4 at which themore » pairing vertex is most attractive. We also found that optimal t'/t increases with U/t. We then contrast our results for this plaquette model with a Hamiltonian which instead involves a regular pattern of site energies whose large site energy limit is the three band CuO2 model; we show that there the inhomogeneity rapidly, and monotonically, suppresses pairing.« less

  3. New variables for classical and quantum gravity in all dimensions: I. Hamiltonian analysis

    NASA Astrophysics Data System (ADS)

    Bodendorfer, N.; Thiemann, T.; Thurn, A.

    2013-02-01

    Loop quantum gravity (LQG) relies heavily on a connection formulation of general relativity such that (1) the connection Poisson commutes with itself and (2) the corresponding gauge group is compact. This can be achieved starting from the Palatini or Holst action when imposing the time gauge. Unfortunately, this method is restricted to D + 1 = 4 spacetime dimensions. However, interesting string theories and supergravity theories require higher dimensions and it would therefore be desirable to have higher dimensional supergravity loop quantizations at one’s disposal in order to compare these approaches. In this series of papers we take first steps toward this goal. The present first paper develops a classical canonical platform for a higher dimensional connection formulation of the purely gravitational sector. The new ingredient is a different extension of the ADM phase space than the one used in LQG which does not require the time gauge and which generalizes to any dimension D > 1. The result is a Yang-Mills theory phase space subject to Gauß, spatial diffeomorphism and Hamiltonian constraint as well as one additional constraint, called the simplicity constraint. The structure group can be chosen to be SO(1, D) or SO(D + 1) and the latter choice is preferred for purposes of quantization.

  4. Quantum Mechanics in Insulators

    SciTech Connect

    Aeppli, G.

    2009-08-20

    Atomic physics is undergoing a large revival because of the possibility of trapping and cooling ions and atoms both for individual quantum control as well as collective quantum states, such as Bose-Einstein condensates. The present lectures start from the 'atomic' physics of isolated atoms in semiconductors and insulators and proceed to coupling them together to yield magnets undergoing quantum phase transitions as well as displaying novel quantum states with no classical analogs. The lectures are based on: G.-Y. Xu et al., Science 317, 1049-1052 (2007); G. Aeppli, P. Warburton, C. Renner, BT Technology Journal, 24, 163-169 (2006); H. M. Ronnow et al., Science 308, 392-395 (2005) and N. Q. Vinh et al., PNAS 105, 10649-10653 (2008).

  5. Non-exponential decay in Quantum Mechanics and Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Giacosa, Francesco

    2014-10-01

    We describe some salient features as well as some recent developments concerning short-time deviations from the exponential decay law in the context of Quantum Mechanics by using the Lee Hamiltonian approach and Quantum Field Theory by using relativistic Lagrangians. In particular, the case in which two decay channels are present is analyzed: the ratio of decay probability densities, which is a constant equal to the ratio of decay widths in the exponential limit, shows in general sizable fluctuations which persist also at long times.

  6. Quantum mechanics from invariance principles

    NASA Astrophysics Data System (ADS)

    Moldoveanu, Florin

    2015-07-01

    Quantum mechanics is an extremely successful theory of nature and yet it lacks an intuitive axiomatization. In contrast, the special theory of relativity is well understood and is rooted into natural or experimentally justified postulates. Here we introduce an axiomatization approach to quantum mechanics which is very similar to special theory of relativity derivation. The core idea is that a composed system obeys the same laws of nature as its components. This leads to a Jordan-Lie algebraic formulation of quantum mechanics. The starting assumptions are minimal: the laws of nature are invariant under time evolution, the laws of nature are invariant under tensor composition, the laws of nature are relational, together with the ability to define a physical state (positivity). Quantum mechanics is singled out by a fifth experimentally justified postulate: nature violates Bell's inequalities.

  7. Optimal control of open quantum systems: A combined surrogate Hamiltonian optimal control theory approach applied to photochemistry on surfaces

    SciTech Connect

    Asplund, Erik; Kluener, Thorsten

    2012-03-28

    In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate Hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate Hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., ({Dirac_h}/2{pi})=m{sub e}=e=a{sub 0}= 1, have been used unless otherwise stated.

  8. Optimal control of open quantum systems: a combined surrogate hamiltonian optimal control theory approach applied to photochemistry on surfaces.

    PubMed

    Asplund, Erik; Klüner, Thorsten

    2012-03-28

    In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., ℏ = m(e) = e = a(0) = 1, have been used unless otherwise stated.

  9. Are nonlinear discrete cellular automata compatible with quantum mechanics?

    NASA Astrophysics Data System (ADS)

    Elze, Hans-Thomas

    2015-07-01

    We consider discrete and integer-valued cellular automata (CA). A particular class of which comprises “Hamiltonian CA” with equations of motion that bear similarities to Hamilton's equations, while they present discrete updating rules. The dynamics is linear, quite similar to unitary evolution described by the Schrödinger equation. This has been essential in our construction of an invertible map between such CA and continuous quantum mechanical models, which incorporate a fundamental discreteness scale. Based on Shannon's sampling theory, it leads, for example, to a one-to-one relation between quantum mechanical and CA conservation laws. The important issue of linearity of the theory is examined here by incorporating higher-order nonlinearities into the underlying action. These produce inconsistent nonlocal (in time) effects when trying to describe continuously such nonlinear CA. Therefore, in the present framework, only linear CA and local quantum mechanical dynamics are compatible.

  10. Non-Hermitian quantum mechanics

    NASA Astrophysics Data System (ADS)

    Jones-Smith, Katherine

    The basic structure of quantum mechanics was delineated in the early days of the theory and has not been modified since. One of the fundamental assumptions used in formulating the theory is that operators are represented by Hermitian matrices. In recent years it has been shown that quantum mechanics can be formulated consistently without making this assumption, using instead a combination of the parity (P) and time-reversal (T) operators and a number of other requirements related to P and T. Only the case of even T has been analyzed in the literature; here we generalize the principles to include odd time-reversal. We use this generalization to construct a non-Hermitian version of the Dirac equation, and in doing so discover a new type of particle not allowed within the (Hermitian) Standard Model. Finally we present a potential application of the ideas of non-Hermitian quantum mechanics to the unsolved problems of quantum magnetism and high temperature superconductivity.

  11. Chaos and Energy Spreading for Time-Dependent Hamiltonians, and the Various Regimes in the Theory of Quantum Dissipation

    NASA Astrophysics Data System (ADS)

    Cohen, Doron

    2000-08-01

    We make the first steps toward a generic theory for energy spreading and quantum dissipation. The Wall formula for the calculation of friction in nuclear physics and the Drude formula for the calculation of conductivity in mesoscopic physics can be regarded as two special results of the general formulation. We assume a time-dependent Hamiltonian H(Q, P; x(t)) with x(t)=Vt, where V is slow in a classical sense. The rate-of-change V is not necessarily slow in the quantum-mechanical sense. The dynamical variables (Q, P) may represent some "bath" which is being parametrically driven by x. This bath may consist of just a few degrees of freedom, but it is assumed to be classically chaotic. In the case of either the Wall or Drude formula, the dynamical variables (Q, P) may represent a single particle. In any case, dissipation means an irreversible systematic growth of the (average) energy. It is associated with the stochastic spreading of energy across levels. The latter can be characterized by a transition probability kernel Pt(n ∣ m), where n and m are level indices. This kernel is the main object of the present study. In the classical limit, due to the (assumed) chaotic nature of the dynamics, the second moment of Pt(n ∣ m) exhibits a crossover from ballistic to diffusive behavior. In order to capture this crossover within quantum mechanics, a proper theory for the quantal Pt(n ∣ m) should be constructed. We define the V regimes where either perturbation theory or semiclassical considerations are applicable in order to establish this crossover. In the limit ℏ→0 perturbation theory does not apply but semiclassical considerations can be used in order to argue that there is detailed correspondence, during the crossover time, between the quantal and the classical Pt(n ∣ m). In the perturbative regime there is a lack of such correspondence. Namely, Pt(n ∣ m) is characterized by a perturbative core-tail structure that persists during the crossover time. In

  12. Spin Glass a Bridge Between Quantum Computation and Statistical Mechanics

    NASA Astrophysics Data System (ADS)

    Ohzeki, Masayuki

    2013-09-01

    In this chapter, we show two fascinating topics lying between quantum information processing and statistical mechanics. First, we introduce an elaborated technique, the surface code, to prepare the particular quantum state with robustness against decoherence. Interestingly, the theoretical limitation of the surface code, accuracy threshold, to restore the quantum state has a close connection with the problem on the phase transition in a special model known as spin glasses, which is one of the most active researches in statistical mechanics. The phase transition in spin glasses is an intractable problem, since we must strive many-body system with complicated interactions with change of their signs depending on the distance between spins. Fortunately, recent progress in spin-glass theory enables us to predict the precise location of the critical point, at which the phase transition occurs. It means that statistical mechanics is available for revealing one of the most interesting parts in quantum information processing. We show how to import the special tool in statistical mechanics into the problem on the accuracy threshold in quantum computation. Second, we show another interesting technique to employ quantum nature, quantum annealing. The purpose of quantum annealing is to search for the most favored solution of a multivariable function, namely optimization problem. The most typical instance is the traveling salesman problem to find the minimum tour while visiting all the cities. In quantum annealing, we introduce quantum fluctuation to drive a particular system with the artificial Hamiltonian, in which the ground state represents the optimal solution of the specific problem we desire to solve. Induction of the quantum fluctuation gives rise to the quantum tunneling effect, which allows nontrivial hopping from state to state. We then sketch a strategy to control the quantum fluctuation efficiently reaching the ground state. Such a generic framework is called

  13. CALL FOR PAPERS: Special issue on Pseudo Hermitian Hamiltonians in Quantum Physics

    NASA Astrophysics Data System (ADS)

    Fring, Andreas; Jones, Hugh F.; Znojil, Miloslav

    2007-11-01

    This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to the subject of Pseudo Hermitian Hamiltonians in Quantum Physics as featured in the conference '6th International Workshop on Pseudo Hermitian Hamiltonians in Quantum Physics', City University London, UK, July 16--18 2007 (http://www.staff.city.ac.uk/~fring/PT/). Invited speakers at that meeting as well as other researchers working in the field are invited to submit a research paper to this issue. The Editorial Board has invited Andreas Fring, Hugh F Jones and Miloslav Znojil to serve as Guest Editors for the special issue. Their criteria for acceptance of contributions are as follows: •The subject of the paper should relate to the subject of the workshop ((see list of topics in the website of the conference http://www.staff.city.ac.uk/~fring/PT/). •Contributions will be refereed and processed according to the usual procedure of the journal. •Conference papers may be based on already published work but should either contain significant additional new results and/or insights or give a survey of the present state of the art, a critical assessment of the present understanding of a topic, and a discussion of open problems. •Papers submitted by non-participants should be original and contain substantial new results. The guidelines for the preparation of contributions are the following: •The DEADLINE for submission of contributions is 16 November 2007. This deadline will allow the special issue to appear in June 2008. •There is a nominal page limit of 16 printed pages (approximately 9600 words) per contribution. For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and Theoretical may be found at www.iop.org/Journals/jphysa. •Contributions to the special issue should, if possible, be submitted electronically by web

  14. Effective Hamiltonians by optimal control: solid-state NMR double-quantum planar and isotropic dipolar recoupling.

    PubMed

    Tosner, Zdenek; Glaser, Steffen J; Khaneja, Navin; Nielsen, Niels Chr

    2006-11-14

    We report the use of optimal control algorithms for tailoring the effective Hamiltonians in nuclear magnetic resonance (NMR) spectroscopy through sophisticated radio-frequency (rf) pulse irradiation. Specifically, we address dipolar recoupling in solid-state NMR of powder samples for which case pulse sequences offering evolution under planar double-quantum and isotropic mixing dipolar coupling Hamiltonians are designed. The pulse sequences are constructed numerically to cope with a range of experimental conditions such as inhomogeneous rf fields, spread of chemical shifts, the intrinsic orientation dependencies of powder samples, and sample spinning. While the vast majority of previous dipolar recoupling sequences are operating through planar double-or zero-quantum effective Hamiltonians, we present here not only improved variants of such experiments but also for the first time homonuclear isotropic mixing sequences which transfers all I(x), I(y), and I(z) polarizations from one spin to the same operators on another spin simultaneously and with equal efficiency. This property may be exploited to increase the signal-to-noise ratio of two-dimensional experiments by a factor of square root 2 compared to conventional solid-state methods otherwise showing the same efficiency. The sequences are tested numerically and experimentally for a powder of (13)C(alpha),(13)C(beta)-L-alanine and demonstrate substantial sensitivity gains over previous dipolar recoupling experiments.

  15. Quantum Mechanics and Narratability

    NASA Astrophysics Data System (ADS)

    Myrvold, Wayne C.

    2016-07-01

    As has been noted by several authors, in a relativistic context, there is an interesting difference between classical and quantum state evolution. For a classical system, a state history of a quantum system given along one foliation uniquely determines, without any consideration of the system's dynamics, a state history along any other foliation. This is not true for quantum state evolution; there are cases in which a state history along one foliation is compatible with multiple distinct state histories along some other, a phenomenon that David Albert has dubbed "non-narratability." In this article, we address the question of whether non-narratability is restricted to the sorts of special states that so far have been used to illustrate it. The results of the investigation suggest that there has been a misplaced emphasis on underdetermination of state histories; though this is generic for the special cases that have up until now been considered, involving bipartite systems in pure entangled states, it fails generically in cases in which more component systems are taken into account, and for bipartite systems that have some entanglement with their environment. For such cases, if we impose relativistic causality constraints on the evolution, then, except for very special states, a state history along one foliation uniquely determines a state history along any other. But this in itself is a marked difference between classical and quantum state evolution, because, in a classical setting, no considerations of dynamics at all are needed to go from a state history along one foliation to a state history along another.

  16. Quantum mechanical force field for water with explicit electronic polarization

    PubMed Central

    Han, Jaebeom; Mazack, Michael J. M.; Zhang, Peng; Truhlar, Donald G.; Gao, Jiali

    2013-01-01

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 106 self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  17. Quantum mechanical force field for water with explicit electronic polarization.

    PubMed

    Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

    2013-08-07

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  18. Quantum Mechanical Earth: Where Orbitals Become Orbits

    ERIC Educational Resources Information Center

    Keeports, David

    2012-01-01

    Macroscopic objects, although quantum mechanical by nature, conform to Newtonian mechanics under normal observation. According to the quantum mechanical correspondence principle, quantum behavior is indistinguishable from classical behavior in the limit of very large quantum numbers. The purpose of this paper is to provide an example of the…

  19. Energy conservation in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Prentis, Jeffrey J.; Fedak, William A.

    2004-05-01

    In the classical mechanics of conservative systems, the position and momentum evolve deterministically such that the sum of the kinetic energy and potential energy remains constant in time. This canonical trademark of energy conservation is absent in the standard presentations of quantum mechanics based on the Schrödinger picture. We present a purely canonical proof of energy conservation that focuses exclusively on the time-dependent position x(t) and momentum p(t) operators. This treatment of energy conservation serves as an introduction to the Heisenberg picture and illuminates the classical-quantum connection. We derive a quantum-mechanical work-energy theorem and show explicitly how the time dependence of x and p and the noncommutivity of x and p conspire to bring about a perfect temporal balance between the evolving kinetic and potential parts of the total energy operator.

  20. QUANTUM MECHANICS. Quantum squeezing of motion in a mechanical resonator.

    PubMed

    Wollman, E E; Lei, C U; Weinstein, A J; Suh, J; Kronwald, A; Marquardt, F; Clerk, A A; Schwab, K C

    2015-08-28

    According to quantum mechanics, a harmonic oscillator can never be completely at rest. Even in the ground state, its position will always have fluctuations, called the zero-point motion. Although the zero-point fluctuations are unavoidable, they can be manipulated. Using microwave frequency radiation pressure, we have manipulated the thermal fluctuations of a micrometer-scale mechanical resonator to produce a stationary quadrature-squeezed state with a minimum variance of 0.80 times that of the ground state. We also performed phase-sensitive, back-action evading measurements of a thermal state squeezed to 1.09 times the zero-point level. Our results are relevant to the quantum engineering of states of matter at large length scales, the study of decoherence of large quantum systems, and for the realization of ultrasensitive sensing of force and motion.

  1. Intrusion Detection With Quantum Mechanics: A Photonic Quantum Fence

    DTIC Science & Technology

    2008-12-01

    computing and quantum key distribution (QKD). Some of the most remarkable examples include quantum teleportation for the non-local transfer of...1 INTRUSION DETECTION WITH QUANTUM MECHANICS: A PHOTONIC QUANTUM FENCE T. S. Humble*, R. S. Bennink, and W. P. Grice Oak Ridge National...use of quantum -mechanically entangled photons for sensing intrusions across a physical perimeter. Our approach to intrusion detection uses the no

  2. Effective equations for the quantum pendulum from momentous quantum mechanics

    SciTech Connect

    Hernandez, Hector H.; Chacon-Acosta, Guillermo

    2012-08-24

    In this work we study the quantum pendulum within the framework of momentous quantum mechanics. This description replaces the Schroedinger equation for the quantum evolution of the system with an infinite set of classical equations for expectation values of configuration variables, and quantum dispersions. We solve numerically the effective equations up to the second order, and describe its evolution.

  3. Effects of the interplay between initial state and Hamiltonian on the thermalization of isolated quantum many-body systems.

    PubMed

    Torres-Herrera, E J; Santos, Lea F

    2013-10-01

    We explore the role of the initial state on the onset of thermalization in isolated quantum many-body systems after a quench. The initial state is an eigenstate of an initial Hamiltonian H(I) and it evolves according to a different final Hamiltonian H(F). If the initial state has a chaotic structure with respect to H(F), i.e., if it fills the energy shell ergodically, thermalization is certain to occur. This happens when H(I) is a full random matrix, because its states projected onto H(F), are fully delocalized. The results for the observables then agree with those obtained with thermal states at infinite temperature. However, finite real systems with few-body interactions, as the ones considered here, are deprived of fully extended eigenstates, even when described by a nonintegrable Hamiltonian. We examine how the initial state delocalizes as it gets closer to the middle of the spectrum of H(F), causing the observables to approach thermal averages, be the models integrable or chaotic. Our numerical studies are based on initial states with energies that cover the entire lower half of the spectrum of one-dimensional Heisenberg spin-1/2 systems.

  4. PT symmetry in classical and quantum statistical mechanics.

    PubMed

    Meisinger, Peter N; Ogilvie, Michael C

    2013-04-28

    PT-symmetric Hamiltonians and transfer matrices arise naturally in statistical mechanics. These classical and quantum models often require the use of complex or negative weights and thus fall outside the conventional equilibrium statistical mechanics of Hermitian systems. PT-symmetric models form a natural class where the partition function is necessarily real, but not necessarily positive. The correlation functions of these models display a much richer set of behaviours than Hermitian systems, displaying sinusoidally modulated exponential decay, as in a dense fluid, or even sinusoidal modulation without decay. Classical spin models with PT-symmetry include Z(N) models with a complex magnetic field, the chiral Potts model and the anisotropic next-nearest-neighbour Ising model. Quantum many-body problems with a non-zero chemical potential have a natural PT-symmetric representation related to the sign problem. Two-dimensional quantum chromodynamics with heavy quarks at non-zero chemical potential can be solved by diagonalizing an appropriate PT-symmetric Hamiltonian.

  5. The isotropic Hamiltonian formalism

    SciTech Connect

    Vaisman, Izu

    2011-02-10

    A Hamiltonian formalism is a procedure that allows to associate a dynamical system to a function and that includes classical Hamiltonian mechanics as a particular case. The present, expository paper gives a survey of the Hamiltonian formalism defined by an isotropic subbundle of TM+T*M, in particular, by a Dirac structure. We discuss reduction and geometric quantization of the Hamiltonian dynamical systems provided by this formalism.

  6. Hamiltonians defined by biorthogonal sets

    NASA Astrophysics Data System (ADS)

    Bagarello, Fabio; Bellomonte, Giorgia

    2017-04-01

    In some recent papers, studies on biorthogonal Riesz bases have found renewed motivation because of their connection with pseudo-Hermitian quantum mechanics, which deals with physical systems described by Hamiltonians that are not self-adjoint but may still have real point spectra. Also, their eigenvectors may form Riesz, not necessarily orthonormal, bases for the Hilbert space in which the model is defined. Those Riesz bases allow a decomposition of the Hamiltonian, as already discussed in some previous papers. However, in many physical models, one has to deal not with orthonormal bases or with Riesz bases, but just with biorthogonal sets. Here, we consider the more general concept of G -quasi basis, and we show a series of conditions under which a definition of non-self-adjoint Hamiltonian with purely point real spectra is still possible.

  7. Improving student understanding of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Singh, Chandralekha

    2015-04-01

    Learning quantum mechanics is challenging for many students. We are investigating the difficulties that upper-level students have in learning quantum mechanics. To help improve student understanding of quantum concepts, we are developing quantum interactive learning tutorials (QuILTs) and tools for peer-instruction. Many of the QuILTs employ computer simulations to help students visualize and develop better intuition about quantum phenomena. We will discuss the common students' difficulties and research-based tools we are developing to bridge the gap between quantitative and conceptual aspects of quantum mechanics and help students develop a solid grasp of quantum concepts. Support from the National Science Foundation is gratefully acknowledged.

  8. Action with Acceleration i: Euclidean Hamiltonian and Path Integral

    NASA Astrophysics Data System (ADS)

    Baaquie, Belal E.

    2013-10-01

    An action having an acceleration term in addition to the usual velocity term is analyzed. The quantum mechanical system is directly defined for Euclidean time using the path integral. The Euclidean Hamiltonian is shown to yield the acceleration Lagrangian and the path integral with the correct boundary conditions. Due to the acceleration term, the state space depends on both position and velocity — and hence the Euclidean Hamiltonian depends on two degrees of freedom. The Hamiltonian for the acceleration system is non-Hermitian and can be mapped to a Hermitian Hamiltonian using a similarity transformation; the matrix elements of the similarity transformation are explicitly evaluated.

  9. Quantum mechanics of black holes.

    PubMed

    Witten, Edward

    2012-08-03

    The popular conception of black holes reflects the behavior of the massive black holes found by astronomers and described by classical general relativity. These objects swallow up whatever comes near and emit nothing. Physicists who have tried to understand the behavior of black holes from a quantum mechanical point of view, however, have arrived at quite a different picture. The difference is analogous to the difference between thermodynamics and statistical mechanics. The thermodynamic description is a good approximation for a macroscopic system, but statistical mechanics describes what one will see if one looks more closely.

  10. Quantum mechanics and the psyche

    NASA Astrophysics Data System (ADS)

    Galli Carminati, G.; Martin, F.

    2008-07-01

    In this paper we apply the last developments of the theory of measurement in quantum mechanics to the phenomenon of consciousness and especially to the awareness of unconscious components. Various models of measurement in quantum mechanics can be distinguished by the fact that there is, or there is not, a collapse of the wave function. The passive aspect of consciousness seems to agree better with models in which there is no collapse of the wave function, whereas in the active aspect of consciousness—i.e., that which goes together with an act or a choice—there seems to be a collapse of the wave function. As an example of the second possibility we study in detail the photon delayed-choice experiment and its consequences for subjective or psychological time. We apply this as an attempt to explain synchronicity phenomena. As a model of application of the awareness of unconscious components we study the mourning process. We apply also the quantum paradigm to the phenomenon of correlation at a distance between minds, as well as to group correlations that appear during group therapies or group training. Quantum entanglement leads to the formation of group unconscious or collective unconscious. Finally we propose to test the existence of such correlations during sessions of group training.

  11. Quantum communication between remote mechanical resonators

    NASA Astrophysics Data System (ADS)

    Felicetti, S.; Fedortchenko, S.; Rossi, R.; Ducci, S.; Favero, I.; Coudreau, T.; Milman, P.

    2017-02-01

    Mechanical resonators represent one of the most promising candidates to mediate the interaction between different quantum technologies, bridging the gap between efficient quantum computation and long-distance quantum communication. Here, we introduce an interferometric scheme where the interaction of a mechanical resonator with input-output quantum pulses is controlled by an independent classical drive. We design protocols for state teleportation and direct quantum state transfer, between distant mechanical resonators. The proposed device, feasible with state-of-the-art technology, can serve as a building block for the implementation of long-distance quantum networks of mechanical resonators.

  12. Facets of contextual realism in quantum mechanics

    SciTech Connect

    Pan, Alok Kumar; Home, Dipankar

    2011-09-23

    In recent times, there is an upsurge of interest in demonstrating the quantum contextuality. In this proceedings, we explore the two different forms of arguments that have been used for showing the contextual character of quantum mechanics. First line of study concerns the violations of the noncontextual realist models by quantum mechanics, where second line of study that is qualitatively distinct from the earlier one, demonstrates the contextuality within the formalism of quantum mechanics.

  13. Treating time travel quantum mechanically

    NASA Astrophysics Data System (ADS)

    Allen, John-Mark A.

    2014-10-01

    The fact that closed timelike curves (CTCs) are permitted by general relativity raises the question as to how quantum systems behave when time travel to the past occurs. Research into answering this question by utilizing the quantum circuit formalism has given rise to two theories: Deutschian-CTCs (D-CTCs) and "postselected" CTCs (P-CTCs). In this paper the quantum circuit approach is thoroughly reviewed, and the strengths and shortcomings of D-CTCs and P-CTCs are presented in view of their nonlinearity and time-travel paradoxes. In particular, the "equivalent circuit model"—which aims to make equivalent predictions to D-CTCs, while avoiding some of the difficulties of the original theory—is shown to contain errors. The discussion of D-CTCs and P-CTCs is used to motivate an analysis of the features one might require of a theory of quantum time travel, following which two overlapping classes of alternate theories are identified. One such theory, the theory of "transition probability" CTCs (T-CTCs), is fully developed. The theory of T-CTCs is shown not to have certain undesirable features—such as time-travel paradoxes, the ability to distinguish nonorthogonal states with certainty, and the ability to clone or delete arbitrary pure states—that are present with D-CTCs and P-CTCs. The problems with nonlinear extensions to quantum mechanics are discussed in relation to the interpretation of these theories, and the physical motivations of all three theories are discussed and compared.

  14. Teaching Quantum Mechanics on an Introductory Level.

    ERIC Educational Resources Information Center

    Muller, Rainer; Wiesner, Hartmut

    2002-01-01

    Presents a new research-based course on quantum mechanics in which the conceptual issues of quantum mechanics are taught at an introductory level. Involves students in the discovery of how quantum phenomena deviate from classical everyday experiences. (Contains 31 references.) (Author/YDS)

  15. Deformation of supersymmetric and conformal quantum mechanics through affine transformations

    NASA Technical Reports Server (NTRS)

    Spiridonov, Vyacheslav

    1993-01-01

    Affine transformations (dilatations and translations) are used to define a deformation of one-dimensional N = 2 supersymmetric quantum mechanics. Resulting physical systems do not have conserved charges and degeneracies in the spectra. Instead, superpartner Hamiltonians are q-isospectral, i.e. the spectrum of one can be obtained from another (with possible exception of the lowest level) by q(sup 2)-factor scaling. This construction allows easily to rederive a special self-similar potential found by Shabat and to show that for the latter a q-deformed harmonic oscillator algebra of Biedenharn and Macfarlane serves as the spectrum generating algebra. A general class of potentials related to the quantum conformal algebra su(sub q)(1,1) is described. Further possibilities for q-deformation of known solvable potentials are outlined.

  16. Deformation of noncommutative quantum mechanics

    NASA Astrophysics Data System (ADS)

    Jiang, Jian-Jian; Chowdhury, S. Hasibul Hassan

    2016-09-01

    In this paper, the Lie group GNC α , β , γ , of which the kinematical symmetry group GNC of noncommutative quantum mechanics (NCQM) is a special case due to fixed nonzero α, β, and γ, is three-parameter deformation quantized using the method suggested by Ballesteros and Musso [J. Phys. A: Math. Theor. 46, 195203 (2013)]. A certain family of QUE algebras, corresponding to GNC α , β , γ with two of the deformation parameters approaching zero, is found to be in agreement with the existing results of the literature on quantum Heisenberg group. Finally, we dualize the underlying QUE algebra to obtain an expression for the underlying star-product between smooth functions on GNC α , β , γ .

  17. Quantum Mechanics: Myths and Facts

    NASA Astrophysics Data System (ADS)

    Nikolić, Hrvoje

    2007-11-01

    A common understanding of quantum mechanics (QM) among students and practical users is often plagued by a number of “myths”, that is, widely accepted claims on which there is not really a general consensus among experts in foundations of QM. These myths include wave-particle duality, time-energy uncertainty relation, fundamental randomness, the absence of measurement-independent reality, locality of QM, nonlocality of QM, the existence of well-defined relativistic QM, the claims that quantum field theory (QFT) solves the problems of relativistic QM or that QFT is a theory of particles, as well as myths on black-hole entropy. The fact is that the existence of various theoretical and interpretational ambiguities underlying these myths does not yet allow us to accept them as proven facts. I review the main arguments and counterarguments lying behind these myths and conclude that QM is still a not-yet-completely-understood theory open to further fundamental research.

  18. Matrix quantum mechanics from qubits

    NASA Astrophysics Data System (ADS)

    Hartnoll, Sean A.; Huijse, Liza; Mazenc, Edward A.

    2017-01-01

    We introduce a transverse field Ising model with order N 2 spins interacting via a nonlocal quartic interaction. The model has an O( N, ℤ), hyperoctahedral, symmetry. We show that the large N partition function admits a saddle point in which the symmetry is enhanced to O( N). We further demonstrate that this `matrix saddle' correctly computes large N observables at weak and strong coupling. The matrix saddle undergoes a continuous quantum phase transition at intermediate couplings. At the transition the matrix eigenvalue distribution becomes disconnected. The critical excitations are described by large N matrix quantum mechanics. At the critical point, the low energy excitations are waves propagating in an emergent 1 + 1 dimensional spacetime.

  19. Quantum-mechanical twin paradox

    NASA Astrophysics Data System (ADS)

    Franson, J. D.

    2016-10-01

    In the twin paradox of special relativity, an observer that travels along an accelerated trajectory at a high velocity will experience a smaller amount of elapsed time than an observer that remains at rest. This illustrates the fact that time is relative unlike the situation in classical physics where time is absolute. In a recent paper, Bushev et al (2016 New J. Phys. 18 093050) showed that the twin paradox can also be demonstrated using a single electron that functions as a quantum-mechanical clock. The wave function of the electron can travel along two different paths simultaneously, which allows a measurement of the difference in proper times along the two trajectories using a single particle. Quantum interference effects show that time cannot be thought of as a classical parameter even when associated with a single clock or observer.

  20. Mechanism for quantum speedup in open quantum systems

    NASA Astrophysics Data System (ADS)

    Liu, Hai-Bin; Yang, W. L.; An, Jun-Hong; Xu, Zhen-Yu

    2016-02-01

    The quantum speed limit (QSL) time for open system characterizes the most efficient response of the system to the environmental influences. Previous results showed that the non-Markovianity governs the quantum speedup. Via studying the dynamics of a dissipative two-level system, we reveal that the non-Markovian effect is only the dynamical way of the quantum speedup, while the formation of the system-environment bound states is the essential reason for the quantum speedup. Our attribution of the quantum speedup to the energy-spectrum character can supply another vital path for experiments when the quantum speedup shows up without any dynamical calculations. The potential experimental observation of our quantum speedup mechanism in the circuit QED system is discussed. Our results may be of both theoretical and experimental interest in exploring the ultimate QSL in realistic environments, and may open new perspectives for devising active quantum speedup devices.

  1. Quantum mechanics on SO(3) via noncommutative dual variables

    NASA Astrophysics Data System (ADS)

    Oriti, Daniele; Raasakka, Matti

    2011-07-01

    We formulate quantum mechanics on the group SO(3) using a noncommutative dual space representation for the quantum states, inspired by recent work in quantum gravity. The new noncommutative variables have a clear connection to the corresponding classical variables, and our analysis confirms them as the natural phase space variables, both mathematically and physically. In particular, we derive the first order (Hamiltonian) path integral in terms of the noncommutative variables, as a formulation of the transition amplitudes alternative to that based on harmonic analysis. We find that the nontrivial phase space structure gives naturally rise to quantum corrections to the action for which we find a closed expression. We then study both the semiclassical approximation of the first order path integral and the example of a free particle on SO(3). On the basis of these results, we comment on the relevance of similar structures and methods for more complicated theories with group-based configuration spaces, such as loop quantum gravity and spin foam models.

  2. Supersymmetric quantum mechanics: Engineered hierarchies of integrable potentials and related orthogonal polynomials

    NASA Astrophysics Data System (ADS)

    Balondo Iyela, Daddy; Govaerts, Jan; Hounkonnou, M. Norbert

    2013-09-01

    Within the context of supersymmetric quantum mechanics and its related hierarchies of integrable quantum Hamiltonians and potentials, a general programme is outlined and applied to its first two simplest illustrations. Going beyond the usual restriction of shape invariance for intertwined potentials, it is suggested to require a similar relation for Hamiltonians in the hierarchy separated by an arbitrary number of levels, N. By requiring further that these two Hamiltonians be in fact identical up to an overall shift in energy, a periodic structure is installed in the hierarchy which should allow for its resolution. Specific classes of orthogonal polynomials characteristic of such periodic hierarchies are thereby generated, while the methods of supersymmetric quantum mechanics then lead to generalised Rodrigues formulae and recursion relations for such polynomials. The approach also offers the practical prospect of quantum modelling through the engineering of quantum potentials from experimental energy spectra. In this paper, these ideas are presented and solved explicitly for the cases N = 1 and N = 2. The latter case is related to the generalised Laguerre polynomials, for which indeed new results are thereby obtained. In the context of dressing chains and deformed polynomial Heisenberg algebras, some partial results for N ⩾ 3 also exist in the literature, which should be relevant to a complete study of the N ⩾ 3 general periodic hierarchies.

  3. Supersymmetric quantum mechanics: Engineered hierarchies of integrable potentials and related orthogonal polynomials

    SciTech Connect

    Balondo Iyela, Daddy; Govaerts, Jan; Hounkonnou, M. Norbert

    2013-09-15

    Within the context of supersymmetric quantum mechanics and its related hierarchies of integrable quantum Hamiltonians and potentials, a general programme is outlined and applied to its first two simplest illustrations. Going beyond the usual restriction of shape invariance for intertwined potentials, it is suggested to require a similar relation for Hamiltonians in the hierarchy separated by an arbitrary number of levels, N. By requiring further that these two Hamiltonians be in fact identical up to an overall shift in energy, a periodic structure is installed in the hierarchy which should allow for its resolution. Specific classes of orthogonal polynomials characteristic of such periodic hierarchies are thereby generated, while the methods of supersymmetric quantum mechanics then lead to generalised Rodrigues formulae and recursion relations for such polynomials. The approach also offers the practical prospect of quantum modelling through the engineering of quantum potentials from experimental energy spectra. In this paper, these ideas are presented and solved explicitly for the cases N= 1 and N= 2. The latter case is related to the generalised Laguerre polynomials, for which indeed new results are thereby obtained. In the context of dressing chains and deformed polynomial Heisenberg algebras, some partial results for N⩾ 3 also exist in the literature, which should be relevant to a complete study of the N⩾ 3 general periodic hierarchies.

  4. Particle in a box in PT-symmetric quantum mechanics and an electromagnetic analog

    NASA Astrophysics Data System (ADS)

    Dasarathy, Anirudh; Isaacson, Joshua P.; Jones-Smith, Katherine; Tabachnik, Jason; Mathur, Harsh

    2013-06-01

    In PT-symmetric quantum mechanics a fundamental principle of quantum mechanics, that the Hamiltonian must be Hermitian, is replaced by another set of requirements, including notably symmetry under PT, where P denotes parity and T denotes time reversal. Here we study the role of boundary conditions in PT-symmetric quantum mechanics by constructing a simple model that is the PT-symmetric analog of a particle in a box. The model has the usual particle-in-a-box Hamiltonian but boundary conditions that respect PT symmetry rather than Hermiticity. We find that for a broad class of PT-symmetric boundary conditions the model respects the condition of unbroken PT symmetry, namely, that the Hamiltonian and the symmetry operator PT have simultaneous eigenfunctions, implying that the energy eigenvalues are real. We also find that the Hamiltonian is self-adjoint under the PT-symmetric inner product. Thus we obtain a simple soluble model that fulfills all the requirements of PT-symmetric quantum mechanics. In the second part of this paper we formulate a variational principle for PT-symmetric quantum mechanics that is the analog of the textbook Rayleigh-Ritz principle. Finally we consider electromagnetic analogs of the PT-symmetric particle in a box. We show that the isolated particle in a box may be realized as a Fabry-Perot cavity between an absorbing medium and its conjugate gain medium. Coupling the cavity to an external continuum of incoming and outgoing states turns the energy levels of the box into sharp resonances. Remarkably we find that the resonances have a Breit-Wigner line shape in transmission and a Fano line shape in reflection; by contrast, in the corresponding Hermitian case the line shapes always have a Breit-Wigner form in both transmission and reflection.

  5. Tunneling into quantum wires: Regularization of the tunneling Hamiltonian and consistency between free and bosonized fermions

    NASA Astrophysics Data System (ADS)

    Filippone, Michele; Brouwer, Piet W.

    2016-12-01

    Tunneling between a point contact and a one-dimensional wire is usually described with the help of a tunneling Hamiltonian that contains a δ function in position space. Whereas the leading-order contribution to the tunneling current is independent of the way this δ function is regularized, higher-order corrections with respect to the tunneling amplitude are known to depend on the regularization. Instead of regularizing the δ function in the tunneling Hamiltonian, one may also obtain a finite tunneling current by invoking the ultraviolet cutoffs in a field-theoretic description of the electrons in the one-dimensional conductor, a procedure that is often used in the literature. For the latter case, we show that standard ultraviolet cutoffs lead to different results for the tunneling current in fermionic and bosonized formulations of the theory, when going beyond leading order in the tunneling amplitude. We show how to recover the standard fermionic result using the formalism of functional bosonization and revisit the tunneling current to leading order in the interacting case.

  6. Gauge-invariant hydrogen-atom Hamiltonian

    SciTech Connect

    Sun Weimin; Wang Fan; Chen Xiangsong; Lue Xiaofu

    2010-07-15

    For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle was recently provided by us [X.-S. Chen et al., Phys. Rev. Lett. 100, 232002 (2008)]. Based on the separation of the electromagnetic potential into pure-gauge and gauge-invariant parts, we have proposed a new set of momentum and Hamiltonian operators which satisfy both the requirement of gauge invariance and the relevant commutation relations. In this paper we report a check for the case of the hydrogen-atom problem: Starting from the Hamiltonian of the coupled electron, proton, and electromagnetic field, under the infinite proton mass approximation, we derive the gauge-invariant hydrogen-atom Hamiltonian and verify explicitly that this Hamiltonian is different from the Dirac Hamiltonian, which is the time translation generator of the system. The gauge-invariant Hamiltonian is the energy operator, whose eigenvalue is the energy of the hydrogen atom. It is generally time dependent. In this case, one can solve the energy eigenvalue equation at any specific instant of time. It is shown that the energy eigenvalues are gauge independent, and by suitably choosing the phase factor of the time-dependent eigenfunction, one can ensure that the time-dependent eigenfunction satisfies the Dirac equation.

  7. Suppressing Chaos of Warship Power System Based on the Quantum Mechanics Theory

    NASA Astrophysics Data System (ADS)

    Cong, Xinrong; Li, Longsuo

    2014-08-01

    Chaos control of marine power system is investigated by adding the Gaussian white noise to the system. The top Lyapunov exponent is computed to detect whether the classical system chaos or not, also the phase portraits are plotted to further verify the obtained results. The classical control of chaos and its quantum counterpart of the marine power system are investigated. The Hamiltonian of the controlled system is given to analyze the quantum counterpart of the classical system, which is based on the quantum mechanics theory.

  8. Quantum mechanics in complex systems

    NASA Astrophysics Data System (ADS)

    Hoehn, Ross Douglas

    This document should be considered in its separation; there are three distinct topics contained within and three distinct chapters within the body of works. In a similar fashion, this abstract should be considered in three parts. Firstly, we explored the existence of multiply-charged atomic ions by having developed a new set of dimensional scaling equations as well as a series of relativistic augmentations to the standard dimensional scaling procedure and to the self-consistent field calculations. Secondly, we propose a novel method of predicting drug efficacy in hopes to facilitate the discovery of new small molecule therapeutics by modeling the agonist-protein system as being similar to the process of Inelastic Electron Tunneling Spectroscopy. Finally, we facilitate the instruction in basic quantum mechanical topics through the use of quantum games; this method of approach allows for the generation of exercises with the intent of conveying the fundamental concepts within a first year quantum mechanics classroom. Furthermore, no to be mentioned within the body of the text, yet presented in appendix form, certain works modeling the proliferation of cells types within the confines of man-made lattices for the purpose of facilitating artificial vascular transplants. In Chapter 2, we present a theoretical framework which describes multiply-charged atomic ions, their stability within super-intense laser fields, also lay corrections to the systems due to relativistic effects. Dimensional scaling calculations with relativistic corrections for systems: H, H-, H 2-, He, He-, He2-, He3- within super-intense laser fields were completed. Also completed were three-dimensional self consistent field calculations to verify the dimensionally scaled quantities. With the aforementioned methods the system's ability to stably bind 'additional' electrons through the development of multiple isolated regions of high potential energy leading to nodes of high electron density is shown

  9. Propagators in polymer quantum mechanics

    NASA Astrophysics Data System (ADS)

    Flores-González, Ernesto; Morales-Técotl, Hugo A.; Reyes, Juan D.

    2013-09-01

    Polymer Quantum Mechanics is based on some of the techniques used in the loop quantization of gravity that are adapted to describe systems possessing a finite number of degrees of freedom. It has been used in two ways: on one hand it has been used to represent some aspects of the loop quantization in a simpler context, and, on the other, it has been applied to each of the infinite mechanical modes of other systems. Indeed, this polymer approach was recently implemented for the free scalar field propagator. In this work we compute the polymer propagators of the free particle and a particle in a box; amusingly, just as in the non polymeric case, the one of the particle in a box may be computed also from that of the free particle using the method of images. We verify the propagators hereby obtained satisfy standard properties such as: consistency with initial conditions, composition and Green's function character. Furthermore they are also shown to reduce to the usual Schrödinger propagators in the limit of small parameter μ0, the length scale introduced in the polymer dynamics and which plays a role analog of that of Planck length in Quantum Gravity.

  10. Bridging classical and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Haddad, D.; Seifert, F.; Chao, L. S.; Li, S.; Newell, D. B.; Pratt, J. R.; Williams, C.; Schlamminger, S.

    2016-10-01

    Using a watt balance and a frequency comb, a mass-energy equivalence is derived. The watt balance compares mechanical power measured in terms of the meter, the second, and the kilogram to electrical power measured in terms of the volt and the ohm. A direct link between mechanical action and the Planck constant is established by the practical realization of the electrical units derived from the Josephson and the quantum Hall effects. By using frequency combs to measure velocities and acceleration of gravity, the unit of mass can be realized from a set of three defining constants: the Planck constant h, the speed of light c, and the hyperfine splitting frequency of 133Cs.

  11. Quantum mechanical light harvesting mechanisms in photosynthesis

    NASA Astrophysics Data System (ADS)

    Scholes, Gregory

    2012-02-01

    More than 10 million billion photons of light strike a leaf each second. Incredibly, almost every red-coloured photon is captured by chlorophyll pigments and initiates steps to plant growth. Last year we reported that marine algae use quantum mechanics in order to optimize photosynthesis [1], a process essential to its survival. These and other insights from the natural world promise to revolutionize our ability to harness the power of the sun. In a recent review [2] we described the principles learned from studies of various natural antenna complexes and suggested how to utilize that knowledge to shape future technologies. We forecast the need to develop ways to direct and regulate excitation energy flow using molecular organizations that facilitate feedback and control--not easy given that the energy is only stored for a billionth of a second. In this presentation I will describe new results that explain the observation and meaning of quantum-coherent energy transfer. [4pt] [1] Elisabetta Collini, Cathy Y. Wong, Krystyna E. Wilk, Paul M. G. Curmi, Paul Brumer, and Gregory D. Scholes, ``Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature'' Nature 463, 644-648 (2010).[0pt] [2] Gregory D. Scholes, Graham R. Fleming, Alexandra Olaya-Castro and Rienk van Grondelle, ``Lessons from nature about solar light harvesting'' Nature Chem. 3, 763-774 (2011).

  12. Quantum damped oscillator II: Bateman's Hamiltonian vs. 2D parabolic potential barrier

    SciTech Connect

    Chruscinski, Dariusz . E-mail: darch@phys.uni.torun.pl

    2006-04-15

    We show that quantum Bateman's system which arises in the quantization of a damped harmonic oscillator is equivalent to a quantum problem with 2D parabolic potential barrier known also as 2D inverted isotropic oscillator. It turns out that this system displays the family of complex eigenvalues corresponding to the poles of analytical continuation of the resolvent operator to the complex energy plane. It is shown that this representation is more suitable than the hyperbolic one used recently by Blasone and Jizba.

  13. Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model.

    PubMed

    Swenson, David W H; Levy, Tal; Cohen, Guy; Rabani, Eran; Miller, William H

    2011-04-28

    A semiclassical approach is developed for nonequilibrium quantum transport in molecular junctions. Following the early work of Miller and White [J. Chem. Phys. 84, 5059 (1986)], the many-electron Hamiltonian in second quantization is mapped onto a classical model that preserves the fermionic character of electrons. The resulting classical electronic Hamiltonian allows for real-time molecular dynamics simulations of the many-body problem from an uncorrelated initial state to the steady state. Comparisons with exact results generated for the resonant level model reveal that a semiclassical treatment of transport provides a quantitative description of the dynamics at all relevant timescales for a wide range of bias and gate potentials, and for different temperatures. The approach opens a door to treating nontrivial quantum transport problems that remain far from the reach of fully quantum methodologies.

  14. Heisenberg and the Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Camilleri, Kristian

    2009-02-01

    Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

  15. Heisenberg and the Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Camilleri, Kristian

    2011-09-01

    Preface; 1. Introduction; Part I. The Emergence of Quantum Mechanics: 2. Quantum mechanics and the principle of observability; 3. The problem of interpretation; Part II. The Heisenberg-Bohr Dialogue: 4. The wave-particle duality; 5. Indeterminacy and the limits of classical concepts: the turning point in Heisenberg's thought; 6. Heisenberg and Bohr: divergent viewpoints of complementarity; Part III. Heisenberg's Epistemology and Ontology of Quantum Mechanics: 7. The transformation of Kantian philosophy; 8. The linguistic turn in Heisenberg's thought; Conclusion; References; Index.

  16. Speakable and Unspeakable in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Bell, J. S.; Aspect, Introduction by Alain

    2004-06-01

    List of papers on quantum philosophy by J. S. Bell; Preface; Acknowledgements; Introduction by Alain Aspect; 1. On the problem of hidden variables in quantum mechanics; 2. On the Einstein-Rosen-Podolsky paradox; 3. The moral aspects of quantum mechanics; 4. Introduction to the hidden-variable question; 5. Subject and object; 6. On wave packet reduction in the Coleman-Hepp model; 7. The theory of local beables; 8. Locality in quantum mechanics: reply to critics; 9. How to teach special relativity; 10. Einstein-Podolsky-Rosen experiments; 11. The measurement theory of Everett and de Broglie's pilot wave; 12. Free variables and local causality; 13. Atomic-cascade photons and quantum-mechanical nonlocality; 14. de Broglie-Bohm delayed choice double-slit experiments and density matrix; 15. Quantum mechanics for cosmologists; 16. Bertlmann's socks and the nature of reality; 17. On the impossible pilot wave; 18. Speakable and unspeakable in quantum mechanics; 19. Beables for quantum field theory; 20. Six possible worlds of quantum mechanics; 21. EPR correlations and EPR distributions; 22. Are there quantum jumps?; 23. Against 'measurement'; 24. La Nouvelle cuisine.

  17. Quantum and statistical mechanics in open systems: theory and examples

    NASA Astrophysics Data System (ADS)

    Zueco, David

    2009-08-01

    Using the system-bath model Hamiltonian this thesis covers the equilibrium and out of equilibrium properties of quantum open systems. Topics included are the calculation of thermodynamical quantities of open systems, derivation of quantum master equations, phase space and numerical methods and Linear and non Linear Response Theory. Applications are the transport in periodic potentials and the dynamics of spins.

  18. Quantum Mechanical Atomic Energy Operator.

    DTIC Science & Technology

    1984-12-01

    operator. 65 S. .. = . ?"L " -- ,V’ S ’ -. W W7 "b ’tp. i . -- ,’. Sr r ,- .- = . -. * -- r -. -.-- =, -. .. . .. Bibliography 1. Cohen - Tannoudji , Claude ...H(t)In(t)> = En(t)In(t)> (5.26) The solution follows the method of Cohen - Tannoudji (1:406-408), 420-423). The multipole Hamiltonian can be written as

  19. Towards a Constructive Foundation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Smilga, Walter

    2016-11-01

    I describe a constructive foundation for quantum mechanics, based on the discreteness of the degrees of freedom of quantum objects and on the Principle of Relativity. Taking Einstein's historical construction of Special Relativity as a model, the construction is carried out in close contact with a simple quantum mechanical Gedanken experiment. This leads to the standard axioms of quantum mechanics. The quantum mechanical description is identified as a mathematical tool that allows describing objects, whose degree of freedom in space-time has a discrete spectrum, relative to classical observers in space-time. This description is covariant with respect to (continuous) coordinate transformations and meets the requirement that the spectrum is the same in every inertial system. The construction gives detailed answers to controversial questions, such as the measurement problem, the informational content of the wave function, and the completeness of quantum mechanics.

  20. Towards a Constructive Foundation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Smilga, Walter

    2017-01-01

    I describe a constructive foundation for quantum mechanics, based on the discreteness of the degrees of freedom of quantum objects and on the Principle of Relativity. Taking Einstein's historical construction of Special Relativity as a model, the construction is carried out in close contact with a simple quantum mechanical Gedanken experiment. This leads to the standard axioms of quantum mechanics. The quantum mechanical description is identified as a mathematical tool that allows describing objects, whose degree of freedom in space-time has a discrete spectrum, relative to classical observers in space-time. This description is covariant with respect to (continuous) coordinate transformations and meets the requirement that the spectrum is the same in every inertial system. The construction gives detailed answers to controversial questions, such as the measurement problem, the informational content of the wave function, and the completeness of quantum mechanics.

  1. Bohmian mechanics and quantum field theory.

    PubMed

    Dürr, Detlef; Goldstein, Sheldon; Tumulka, Roderich; Zanghì, Nino

    2004-08-27

    We discuss a recently proposed extension of Bohmian mechanics to quantum field theory. For more or less any regularized quantum field theory there is a corresponding theory of particle motion, which, in particular, ascribes trajectories to the electrons or whatever sort of particles the quantum field theory is about. Corresponding to the nonconservation of the particle number operator in the quantum field theory, the theory describes explicit creation and annihilation events: the world lines for the particles can begin and end.

  2. A Bit of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Oss, Stefano; Rosi, Tommaso

    2015-04-01

    We have developed an app for iOS-based smart-phones/tablets that allows a 3-D, complex phase-based colorful visualization of hydrogen atom wave functions. Several important features of the quantum behavior of atomic orbitals can easily be made evident, thus making this app a useful companion in introductory modern physics classes. There are many reasons why quantum mechanical systems and phenomena are difficult both to teach and deeply understand. They are described by equations that are generally hard to visualize, and they often oppose the so-called "common sense" based on the human perception of the world, which is built on mental images such as locality and causality. Moreover students cannot have direct experience of those systems and solutions, and generally do not even have the possibility to refer to pictures, videos, or experiments to fill this gap. Teachers often encounter quite serious troubles in finding out a sensible way to speak about the wonders of quantum physics at the high school level, where complex formalisms are not accessible at all. One should however consider that this is quite a common issue in physics and, more generally, in science education. There are plenty of natural phenomena whose models (not only at microscopic and atomic levels) are of difficult, if not impossible, visualization. Just think of certain kinds of waves, fields of forces, velocities, energy, angular momentum, and so on. One should also notice that physical reality is not the same as the images we make of it. Pictures (formal, abstract ones, as well as artists' views) are a convenient bridge between these two aspects.

  3. BOOK REVIEWS: Quantum Mechanics: Fundamentals

    NASA Astrophysics Data System (ADS)

    Whitaker, A.

    2004-02-01

    This review is of three books, all published by Springer, all on quantum theory at a level above introductory, but very different in content, style and intended audience. That of Gottfried and Yan is of exceptional interest, historical and otherwise. It is a second edition of Gottfried’s well-known book published by Benjamin in 1966. This was written as a text for a graduate quantum mechanics course, and has become one of the most used and respected accounts of quantum theory, at a level mathematically respectable but not rigorous. Quantum mechanics was already solidly established by 1966, but this second edition gives an indication of progress made and changes in perspective over the last thirty-five years, and also recognises the very substantial increase in knowledge of quantum theory obtained at the undergraduate level. Topics absent from the first edition but included in the second include the Feynman path integral, seen in 1966 as an imaginative but not very useful formulation of quantum theory. Feynman methods were given only a cursory mention by Gottfried. Their practical importance has now been fully recognised, and a substantial account of them is provided in the new book. Other new topics include semiclassical quantum mechanics, motion in a magnetic field, the S matrix and inelastic collisions, radiation and scattering of light, identical particle systems and the Dirac equation. A topic that was all but totally neglected in 1966, but which has flourished increasingly since, is that of the foundations of quantum theory. John Bell’s work of the mid-1960s has led to genuine theoretical and experimental achievement, which has facilitated the development of quantum optics and quantum information theory. Gottfried’s 1966 book played a modest part in this development. When Bell became increasingly irritated with the standard theoretical approach to quantum measurement, Viki Weisskopf repeatedly directed him to Gottfried’s book. Gottfried had devoted a

  4. Quantum mechanics without potential function

    SciTech Connect

    Alhaidari, A. D.; Ismail, M. E. H.

    2015-07-15

    In the standard formulation of quantum mechanics, one starts by proposing a potential function that models the physical system. The potential is then inserted into the Schrödinger equation, which is solved for the wavefunction, bound states energy spectrum, and/or scattering phase shift. In this work, however, we propose an alternative formulation in which the potential function does not appear. The aim is to obtain a set of analytically realizable systems, which is larger than in the standard formulation and may or may not be associated with any given or previously known potential functions. We start with the wavefunction, which is written as a bounded infinite sum of elements of a complete basis with polynomial coefficients that are orthogonal on an appropriate domain in the energy space. Using the asymptotic properties of these polynomials, we obtain the scattering phase shift, bound states, and resonances. This formulation enables one to handle not only the well-known quantum systems but also previously untreated ones. Illustrative examples are given for two- and three-parameter systems.

  5. Principle of Least Action and Approximations in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Kobe, Donald

    2008-03-01

    A Lagrangian together with the Principle of Least Action (PLA) is a unifying approach used in all areas of physics to derive their fundamental equations. In quantum mechanics this approach can be used to derive the Schr"odinger equation. The PLA may also be used to obtain approximate equations in quantum mechanics by using time-dependent trial wave functions. For a system with a time-independent Hamiltonian the PLA can be reduced to the Rayleigh-Ritz variational principle of time-independent quantum mechanics. For a system of many bosons a trial wave function that is a product of time-dependent single particle wave functions may be used in the PLA to obtain the time-dependent Gross-Pitaeveski equation, which is useful in describing a Bose- Einstein condensate. For a system of many fermions a trial wave function that is a product of time-dependent single particle orbitals may be used in the PLA to obtain the time-dependent Hartree-Fock equations, which are useful in atomic and nuclear physics.

  6. Exact parent Hamiltonian for the quantum Hall states in a lattice.

    PubMed

    Kapit, Eliot; Mueller, Erich

    2010-11-19

    We study lattice models of charged particles in uniform magnetic fields. We show how longer range hopping can be engineered to produce a massively degenerate manifold of single-particle ground states with wave functions identical to those making up the lowest Landau level of continuum electrons in a magnetic field. We find that in the presence of local interactions, and at the appropriate filling factors, Laughlin's fractional quantum Hall wave function is an exact many-body ground state of our lattice model. The hopping matrix elements in our model fall off as a Gaussian, and when the flux per plaquette is small compared to the fundamental flux quantum one only needs to include nearest and next-nearest neighbor hoppings. We suggest how to realize this model using atoms in optical lattices, and describe observable consequences of the resulting fractional quantum Hall physics.

  7. Quantum mechanical reality according to Copenhagen 2.0

    NASA Astrophysics Data System (ADS)

    Din, Allan M.

    2016-05-01

    The long-standing conceptual controversies concerning the interpretation of nonrelativistic quantum mechanics are argued, on one hand, to be due to its incompleteness, as affirmed by Einstein. But on the other hand, it appears to be possible to complete it at least partially, as Bohr might have appreciated it, in the framework of its standard mathematical formalism with observables as appropriately defined self-adjoint operators. This completion of quantum mechanics is based on the requirement on laboratory physics to be effectively confined to a bounded space region and on the application of the von Neumann deficiency theorem to properly define a set of self-adjoint extensions of standard observables, e.g. the momenta and the Hamiltonian, in terms of certain isometries on the region boundary. This is formalized mathematically in the setting of a boundary ontology for the so-called Qbox in which the wave function acquires a supplementary dependence on a set of Additional Boundary Variables (ABV). It is argued that a certain geometric subset of the ABV parametrizing Quasi-Periodic Translational Isometries (QPTI) has a particular physical importance by allowing for the definition of an ontic wave function, which has the property of epitomizing the spatial wave function “collapse.” Concomitantly the standard wave function in an unbounded geometry is interpreted as an epistemic wave function, which together with the ontic QPTI wave function gives rise to the notion of two-wave duality, replacing the standard concept of wave-particle duality. More generally, this approach to quantum physics in a bounded geometry provides a novel analytical basis for a better understanding of several conceptual notions of quantum mechanics, including reality, nonlocality, entanglement and Heisenberg’s uncertainty relation. The scope of this analysis may be seen as a foundational update of the multiple versions 1.x of the Copenhagen interpretation of quantum mechanics, which is

  8. Algebraic function operator expectation value based quantum eigenstate determination: A case of twisted or bent Hamiltonian, or, a spatially univariate quantum system on a curved space

    SciTech Connect

    Baykara, N. A.

    2015-12-31

    Recent studies on quantum evolutionary problems in Demiralp’s group have arrived at a stage where the construction of an expectation value formula for a given algebraic function operator depending on only position operator becomes possible. It has also been shown that this formula turns into an algebraic recursion amongst some finite number of consecutive elements in a set of expectation values of an appropriately chosen basis set over the natural number powers of the position operator as long as the function under consideration and the system Hamiltonian are both autonomous. This recursion corresponds to a denumerable infinite number of algebraic equations whose solutions can or can not be obtained analytically. This idea is not completely original. There are many recursive relations amongst the expectation values of the natural number powers of position operator. However, those recursions may not be always efficient to get the system energy values and especially the eigenstate wavefunctions. The present approach is somehow improved and generalized form of those expansions. We focus on this issue for a specific system where the Hamiltonian is defined on the coordinate of a curved space instead of the Cartesian one.

  9. Dirac particle in gravitational quantum mechanics

    NASA Astrophysics Data System (ADS)

    Pedram, Pouria

    2011-08-01

    In this Letter, we consider the effects of the Generalized (Gravitational) Uncertainty Principle (GUP) on the eigenvalues and the eigenfunctions of the Dirac equation. This form of GUP is consistent with various candidates of quantum gravity such as string theory, loop quantum gravity, doubly special relativity and black hole physics and predicts both a minimum measurable length and a maximum measurable momentum. The modified Hamiltonian contains two additional terms proportional to a( and a( where αi are Dirac matrices and a∼1/MPlc is the GUP parameter. For the case of the Dirac free particle and the Dirac particle in a box, we solve the generalized Dirac equation and find the modified energy eigenvalues and eigenfunctions.

  10. Kindergarten Quantum Mechanics: Lecture Notes

    SciTech Connect

    Coecke, Bob

    2006-01-04

    These lecture notes survey some joint work with Samson Abramsky as it was presented by me at several conferences in the summer of 2005. It concerns 'doing quantum mechanics using only pictures of lines, squares, triangles and diamonds'. This picture calculus can be seen as a very substantial extension of Dirac's notation, and has a purely algebraic counterpart in terms of so-called Strongly Compact Closed Categories (introduced by Abramsky and I which subsumes my Logic of Entanglement. For a survey on the 'what', the 'why' and the 'hows' I refer to a previous set of lecture notes. In a last section we provide some pointers to the body of technical literature on the subject.

  11. Quantum mechanics, relativity and time

    NASA Astrophysics Data System (ADS)

    Basini, Giuseppe; Capozziello, Salvatore

    2005-01-01

    A discussion on quantum mechanics, general relativity and their relations is introduced. The assumption of the absolute validity of conservation laws and the extension to a 5D-space lead to reconsider several shortcomings and paradoxes of modern physics under a new light without the necessity to take into account symmetry breakings. In this picture, starting from first principles, and after a reduction procedure from 5D to 4D, dynamics leads to the natural emergence of two time arrows and ofa scalar-tensor theory of gravity. In this framework, phenomena like entanglement of systems and topology changes can be naturally accounted and, furthermore, several experimental evidences as gamma ray bursts, sizes of astrophysical structures and the observed values of cosmological parameters can be explained. The identification, thanks to conservation laws, of a covariant symplectic structure as a general feature also for gravity can be seen as a deep link common to all the interactions.

  12. Thermodynamic integration from classical to quantum mechanics.

    PubMed

    Habershon, Scott; Manolopoulos, David E

    2011-12-14

    We present a new method for calculating quantum mechanical corrections to classical free energies, based on thermodynamic integration from classical to quantum mechanics. In contrast to previous methods, our method is numerically stable even in the presence of strong quantum delocalization. We first illustrate the method and its relationship to a well-established method with an analysis of a one-dimensional harmonic oscillator. We then show that our method can be used to calculate the quantum mechanical contributions to the free energies of ice and water for a flexible water model, a problem for which the established method is unstable.

  13. Group Theoretical Approach for Controlled Quantum Mechanical Systems

    DTIC Science & Technology

    2007-11-06

    evolution equation with Hamiltonians which may possess discrete , continuous, and mixed spectrum. For such a quantum system, the Hamiltonian operator...study of classical linear and nonlinear systems, which proves to be very useful in understanding the design problems such as disturbance decoupling...developed by Kunita can then be implemented to establish controllability conditions for the original time-dependent Schrodinger control problem. The end

  14. Quantum Mechanics and physical calculations

    NASA Astrophysics Data System (ADS)

    Karayan, H. S.

    2014-03-01

    We suggest to realize the computer simulation and calculation by the algebraic structure built on the basis of the logic inherent to processes in physical systems (called physical computing). We suggest a principle for the construction of quantum algorithms of neuroinformatics of quantum neural networks. The role of academician Sahakyan is emphasized in the development of quantum physics in Armenia.

  15. Einstein's equivalence principle in quantum mechanics revisited

    NASA Astrophysics Data System (ADS)

    Nauenberg, Michael

    2016-11-01

    The gravitational equivalence principle in quantum mechanics is of considerable importance, but it is generally not included in physics textbooks. In this note, we present a precise quantum formulation of this principle and comment on its verification in a neutron diffraction experiment. The solution of the time dependent Schrödinger equation for this problem also gives the wave function for the motion of a charged particle in a homogeneous electric field, which is also usually ignored in textbooks on quantum mechanics.

  16. Quantum Mechanics with a Little Less Mystery

    ERIC Educational Resources Information Center

    Cropper, William H.

    1969-01-01

    Suggests the "route of the inquiring mind in presenting the esoteric quantum mechanical postulates and concepts in an understandable form. Explains that the quantum mechanical postulates are but useful mathematical forms to express thebroader principles of superposition and correspondence. Briefly describes some of the features which makes the…

  17. Hamiltonians generating optimal-speed evolutions

    NASA Astrophysics Data System (ADS)

    Mostafazadeh, Ali

    2009-01-01

    We present a simple derivation of the formula for the Hamiltonian operator(s) that achieve the fastest possible unitary evolution between given initial and final states. We discuss how this formula is modified in pseudo-Hermitian quantum mechanics and provide an explicit expression for the most general optimal-speed quasi-Hermitian Hamiltonian. Our approach allows for an explicit description of the metric (inner product) dependence of the lower bound on the travel time and the universality (metric independence) of the upper bound on the speed of unitary evolutions.

  18. Improving students' understanding of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Zhu, Guangtian

    2011-12-01

    Learning physics is challenging at all levels. Students' difficulties in the introductory level physics courses have been widely studied and many instructional strategies have been developed to help students learn introductory physics. However, research shows that there is a large diversity in students' preparation and skills in the upper-level physics courses and it is necessary to provide scaffolding support to help students learn advanced physics. This thesis explores issues related to students' common difficulties in learning upper-level undergraduate quantum mechanics and how these difficulties can be reduced by research-based learning tutorials and peer instruction tools. We investigated students' difficulties in learning quantum mechanics by administering written tests and surveys to many classes and conducting individual interviews with a subset of students. Based on these investigations, we developed Quantum Interactive Learning Tutorials (QuILTs) and peer instruction tools to help students build a hierarchical knowledge structure of quantum mechanics through a guided approach. Preliminary assessments indicate that students' understanding of quantum mechanics is improved after using the research-based learning tools in the junior-senior level quantum mechanics courses. We also designed a standardized conceptual survey that can help instructors better probe students' understanding of quantum mechanics concepts in one spatial dimension. The validity and reliability of this quantum mechanics survey is discussed.

  19. 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.

  20. Quantum mechanics of the inverted oscillator potential

    NASA Astrophysics Data System (ADS)

    Barton, G.

    1986-02-01

    The Hamiltonian ( 1/2m)p 2 - 1/2mω 2x 2 yields equations solvable in closed form; one is led to them by questions about the longest mean sojourn time T allowed by quantum mechanics to a system near unstable equilibrium. These equations are then studied further in their own right. After criticism of earlier arguments, one finds, by aid of the Green's function, that T ˜ ω -1log{ l/( {h̷}/{mω) 1/2}} for sojourn in the region | x| < l, where l is the resolving power of the detector. Without appeal to some parameter like l one would get nonsense estimates T ˜ ω-1 (e.g., from the nondecay probability familiar in the decay of metastable states). in this potential wavepackets Gaussian in position do not split on impact: their peaks are either transmitted or reflected, depending on the sign of the energy E ≷ 0; however, they spread so fast that not all the probability ends up on the same side of the origin as the peak. The energy eigenfunctions (parabolic cylinder functions) identify the transmission and reflection amplitudes as T = (1 + e -2πE) -1/2eiφ, R = -i(1 + e -2πE) -1/2 e -πE e iφ, where φ = arg Γ( 1/2 - iE) (in units where 2m = 1 = ω = h̷). The density of states for the interval | x| ≤ L is 2π -1 log L + π -1ϕ'( E). Wavepackets that are peaked sharply enough in energy travel without dispersion in the asymptotic region | x| > | E|, and do split on impact in the usual way. The travel times and time delays of these packets are determined. For both reflection and transmission, and for both E ≷ 0, the time delays are given by φ'( E), which is a symmetric function of E, with a positive maximum at E = 0. In particular, packets tunneling under the barrier reemerge sooner if their energy is more negative. This paradox (which occurs also in other tunneling problems) is elucidated as far as possible. Coherent states are constructed by analogy to those of the ordinary oscillator. Though not integrable, their probability distributions do have a

  1. Conservation laws in the quantum mechanics of closed systems

    SciTech Connect

    Hartle, J.B. ||; Laflamme, R. |; Marolf, D.

    1995-06-15

    We investigate conservation laws in the quantum mechanics of closed systems and begin by reviewing an argument that exact decoherence implies the exact conservation of quantities that commute with the Hamiltonian. However, we also show that decoherence limits the alternatives that can be included in sets of histories that assess the conservation of these quantities. In the case of charge and energy, these limitations would be severe were these quantities not coupled to a gauge field. However, for the realistic cases of electric charge coupled to the electromagnetic field and mass coupled to spacetime curvature, we show that when alternative values of charge and mass decohere they always decohere exactly and are exactly conserved. Further, while decohering histories that describe possible changes in time of the total charge and mass are also subject to the limitations mentioned above, we show that these do not, in fact, restrict {ital physical} alternatives and are therefore not really limitations at all.

  2. Quantum Mechanical Models Of The Fermi Shuttle

    SciTech Connect

    Sternberg, James

    2011-06-01

    The Fermi shuttle is a mechanism in which high energy electrons are produced in an atomic collision by multiple collisions with a target and a projectile atom. It is normally explained purely classically in terms of the electron's orbits prescribed in the collision. Common calculations to predict the Fermi shuttle use semi-classical methods, but these methods still rely on classical orbits. In reality such collisions belong to the realm of quantum mechanics, however. In this paper we discuss several purely quantum mechanical calculations which can produce the Fermi shuttle. Being quantum mechanical in nature, these calculations produce these features by wave interference, rather than by classical orbits.

  3. Quantum theory of two-photon correlated-spontaneous-emission lasers: Exact atom-field interaction Hamiltonian approach

    SciTech Connect

    Lu, N.; Zhu, S. )

    1989-11-15

    A quantum theory of two-photon correlated-spontaneous-emission lasers (CEL's) is developed, starting from the exact atom-field interaction Hamiltonian for cascade three-level atoms interacting with a single-mode radiation field. We consider the situation where the active atoms are prepared initially in a coherent superposition of three atomic levels and derive a master equation for the field-density operator by using a quantum theory for coherently pumped lasers. The master equation is transformed into a Fokker-Planck equation for the antinormal-ordering {ital Q} function. The drift coefficients of the Fokker-Planck equation enable us to study the steady-state operation of the two-photon CEL's analytically. We have studied both resonant two-photon CEL for which there is no threshold, and off-resonant two-photon CEL for which there exists a threshold. In both cases the initial atomic coherences provide phase locking, and squeezing in the phase quadrature of the field is found. The off-resonant two-photon CEL can build up from a vacuum when its linear gain is larger than the cavity loss (even without population inversion). Maximum squeezing is found in the no-population-inversion region with the laser intensities far below saturation in both cases, which are more than 90% for the resonant two-photon CEL and nearly 50% for the off-resonant one. Approximate steady-state {ital Q} functions are obtained for the resonant two-photon CEL and, in certain circumstances, for the off-resonant one.

  4. Comment on ``Adiabatic quantum computation with a one-dimensional projector Hamiltonian''

    NASA Astrophysics Data System (ADS)

    Kay, Alastair

    2013-10-01

    The partial adiabatic search algorithm was introduced in Tulsi's paper [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.80.052328 80, 052328 (2009)] as a modification of the usual adiabatic algorithm for a quantum search with the idea that most of the interesting computation only happens over a very short range of the adiabatic path. By focusing on that restricted range, one can potentially gain an advantage by reducing the control requirements on the system, enabling a uniform rate of evolution. In this Comment, we point out an oversight in Tulsi's paper [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.80.052328 80, 052328 (2009)] that invalidates its proof. However, the argument can be corrected, and the calculations in Tulsi's paper [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.80.052328 80, 052328 (2009)] are then sufficient to show that the scheme still works. Nevertheless, subsequent works [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.034304 82, 034304 (2010), Chin. Phys. BCPBHAJ1674-105610.1088/1674-1056/20/4/040309 20, 040309 (2011), Chin. Phys. BCPBHAJ1674-105610.1088/1674-1056/21/1/010306 21, 010306 (2012), AASRI Procedia 1, 5862 (2012), and Quantum Inf. Process.10.1007/s11128-013-0557-1 12, 2689 (2013)] cannot all be recovered in the same way.

  5. ``Simplest Molecule'' Clarifies Modern Physics II. Relativistic Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Harter, William; Reimer, Tyle

    2015-05-01

    A ``simplest molecule'' consisting of CW- laser beam pairs helps to clarify relativity from poster board - I. In spite of a seemingly massless evanescence, an optical pair also clarifies classical and quantum mechanics of relativistic matter and antimatter. Logical extension of (x,ct) and (ω,ck) geometry gives relativistic action functions of Hamiltonian, Lagrangian, and Poincare that may be constructed in a few ruler-and-compass steps to relate relativistic parameters for group or phase velocity, momentum, energy, rapidity, stellar aberration, Doppler shifts, and DeBroglie wavelength. This exposes hyperbolic and circular trigonometry as two sides of one coin connected by Legendre contact transforms. One is Hamiltonian-like with a longitudinal rapidity parameter ρ (log of Doppler shift). The other is Lagrange-like with a transverse angle parameter σ (stellar aberration). Optical geometry gives recoil in absorption, emission, and resonant Raman-Compton acceleration and distinguishes Einstein rest mass, Galilean momentum mass, and Newtonian effective mass. (Molecular photons appear less bullet-like and more rocket-like.) In conclusion, modern space-time physics appears as a simple result of the more self-evident Evenson's axiom: ``All colors go c.''

  6. "simplest Molecule" Clarifies Modern Physics II. Relativistic Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Reimer, T. C.; Harter, W. G.

    2014-06-01

    A "simplest molecule" consisting of CW-laser beam pairs helps to clarify relativity in Talk I. In spite of a seemingly massless evanescence, an optical pair also clarifies classical and quantum mechanics of relativistic matter and anti-matter. *Logical extension of (x,ct) and (ω,ck) geometry gives relativistic action functions of Hamiltonian, Lagrangian, and Poincare that may be constructed in a few ruler-and-compass steps to relate relativistic parameters for group or phase velocity, momentum, energy, rapidity, stellar aberration, Doppler shifts, and DeBroglie wavelength. This exposes hyperbolic and circular trigonometry as two sides of one coin connected by Legendre contact transforms. One is Hamiltonian-like with a longitudinal rapidity parameter ρ (log of Doppler shift). The other is Lagrange-like with a transverse angle parameter σ (stellar aberration). Optical geometry gives recoil in absorption, emission, and resonant Raman-Compton acceleration and distinguishes Einstein rest mass, Galilean momentum mass, and Newtonian effective mass. (Molecular photons appear less bullet-like and more rocket-like.) In conclusion, modern space-time physics appears as a simple result of the more self-evident Evenson's axiom: "All colors go c."

  7. General quantum-mechanical setting for field-antifield formalism as a hyper-gauge theory

    NASA Astrophysics Data System (ADS)

    Batalin, Igor A.; Lavrov, Peter M.

    2016-09-01

    A general quantum-mechanical setting is proposed for the field-antifield formalism as a unique hyper-gauge theory in the field-antifield space. We formulate a Schr\\"odinger-type equation to describe the quantum evolution in a "current time" purely formal in its nature. The corresponding Hamiltonian is defined in the form of a supercommutator of the delta-operator with a hyper-gauge Fermion. The initial wave function is restricted to be annihilated with the delta-operator. The Schr\\"odinger's equation is resolved in a closed form of the path integral, whose action contains the symmetric Weyl's symbol of the Hamiltonian. We take the path integral explicitly in the case of being a hyper-gauge Fermion an arbitrary function rather than an operator.

  8. Strange Bedfellows: Quantum Mechanics and Data Mining

    SciTech Connect

    Weinstein, Marvin; /SLAC

    2009-12-16

    Last year, in 2008, I gave a talk titled Quantum Calisthenics. This year I am going to tell you about how the work I described then has spun off into a most unlikely direction. What I am going to talk about is how one maps the problem of finding clusters in a given data set into a problem in quantum mechanics. I will then use the tricks I described to let quantum evolution lets the clusters come together on their own.

  9. Dynamical supersymmetric Dirac Hamiltonians

    SciTech Connect

    Ginocchio, J.N.

    1986-01-01

    Using the language of quantum electrodynamics, the Dirac Hamiltonian of a neutral fermion interacting with a tensor field is examined. A supersymmetry found for a general Dirac Hamiltonian of this type is discussed, followed by consideration of the special case of a harmonic electric potential. The square of the Dirac Hamiltonian of a neutral fermion interacting via an anomalous magnetic moment in an electric potential is shown to be equivalent to a three-dimensional supersymmetric Schroedinger equation. It is found that for a potential that grows as a power of r, the lowest energy of the Hamiltonian equals the rest mass of the fermion, and the Dirac eigenfunction has only an upper component which is normalizable. It is also found that the higher energy states have upper and lower components which form a supersymmetric doublet. 15 refs. (LEW)

  10. Elastic tunneling charge transport mechanisms in silicon quantum dots / Si O 2 thin films and superlattices

    NASA Astrophysics Data System (ADS)

    Illera, S.; Prades, J. D.; Cirera, A.

    2015-05-01

    The role of different charge transport mechanisms in Si / Si O 2 structures has been studied. A theoretical model based on the Transfer Hamiltonian Formalism has been developed to explain experimental current trends in terms of three different elastic tunneling processes: (1) trap assisted tunneling; (2) transport through an intermediate quantum dot; and (3) direct tunneling between leads. In general, at low fields carrier transport is dominated by the quantum dots whereas, for moderate and high fields, transport through deep traps inherent to the SiO2 is the most relevant process. Besides, current trends in Si / Si O 2 superlattice structure have been properly reproduced.

  11. Quantum mechanics and the generalized uncertainty principle

    SciTech Connect

    Bang, Jang Young; Berger, Micheal S.

    2006-12-15

    The generalized uncertainty principle has been described as a general consequence of incorporating a minimal length from a theory of quantum gravity. We consider a simple quantum mechanical model where the operator corresponding to position has discrete eigenvalues and show how the generalized uncertainty principle results for minimum uncertainty wave packets.

  12. Principles and Dynamics of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Efthimiades, Spyros

    2009-05-01

    Quantum mechanics can be founded on three principles: particle waves, concurrent states and averaged energy relations. The Schrodinger, time-evolution and Dirac equations are derived to be the conditions the wavefunction must satisfy in order to fulfill the corresponding averaged energy relations. Adopting a particle and wave balanced approach we attain a clear, consistent and justified quantum theory.

  13. Quantum mechanical models with strictly ergodic disorder

    NASA Astrophysics Data System (ADS)

    Mavi, Rajinder

    We study quantum Hamiltonians with potentials defined by strictly ergodic dynamical systems. Our interest here are models where physical properties are understood in some regimes of disorder and the extent to which they vary in alternate regimes of disorder. For Schrodinger operators we show properties known to hold in the case of analytic potentials on the torus hold even for rough potentials only required to be Holder continuous. Specifically in this case we show, assuming a positive Lyapunov exponent, dynamical localization properties hold; as well as continuity of the measure of the spectrum for all rotations. For the quantum Ising model we show for phase structure that occur in the random regime, there are similar conditions for existence under the assumption of strictly ergodic dynamics. That is, moment conditions for random disorder are paralleled by conditions on the sampling functions in deterministic disorder. We obtain conditions for existence of phase transitions given any strictly egodically defined disorder. In addition, a new multiscale analysis method is developed to show the existence of stretched exponential decay in the random cluster model generalization of the quantum Ising model where only slower decay was obainable by previous methods.

  14. Stochastic surrogate Hamiltonian

    SciTech Connect

    Katz, Gil; Kosloff, Ronnie; Gelman, David; Ratner, Mark A.

    2008-07-21

    The surrogate Hamiltonian is a general scheme to simulate the many body quantum dynamics composed of a primary system coupled to a bath. The method has been based on a representative bath Hamiltonian composed of two-level systems that is able to mimic the true system-bath dynamics up to a prespecified time. The original surrogate Hamiltonian method is limited to short time dynamics since the size of the Hilbert space required to obtain convergence grows exponentially with time. By randomly swapping bath modes with a secondary thermal reservoir, the method can simulate quantum dynamics of the primary system from short times to thermal equilibrium. By averaging a small number of realizations converged values of the system observables are obtained avoiding the exponential increase in resources. The method is demonstrated for the equilibration of a molecular oscillator with a thermal bath.

  15. Stochastic surrogate Hamiltonian

    NASA Astrophysics Data System (ADS)

    Katz, Gil; Gelman, David; Ratner, Mark A.; Kosloff, Ronnie

    2008-07-01

    The surrogate Hamiltonian is a general scheme to simulate the many body quantum dynamics composed of a primary system coupled to a bath. The method has been based on a representative bath Hamiltonian composed of two-level systems that is able to mimic the true system-bath dynamics up to a prespecified time. The original surrogate Hamiltonian method is limited to short time dynamics since the size of the Hilbert space required to obtain convergence grows exponentially with time. By randomly swapping bath modes with a secondary thermal reservoir, the method can simulate quantum dynamics of the primary system from short times to thermal equilibrium. By averaging a small number of realizations converged values of the system observables are obtained avoiding the exponential increase in resources. The method is demonstrated for the equilibration of a molecular oscillator with a thermal bath.

  16. Gravitational surface Hamiltonian and entropy quantization

    NASA Astrophysics Data System (ADS)

    Bakshi, Ashish; Majhi, Bibhas Ranjan; Samanta, Saurav

    2017-02-01

    The surface Hamiltonian corresponding to the surface part of a gravitational action has xp structure where p is conjugate momentum of x. Moreover, it leads to TS on the horizon of a black hole. Here T and S are temperature and entropy of the horizon. Imposing the hermiticity condition we quantize this Hamiltonian. This leads to an equidistant spectrum of its eigenvalues. Using this we show that the entropy of the horizon is quantized. This analysis holds for any order of Lanczos-Lovelock gravity. For general relativity, the area spectrum is consistent with Bekenstein's observation. This provides a more robust confirmation of this earlier result as the calculation is based on the direct quantization of the Hamiltonian in the sense of usual quantum mechanics.

  17. Dynamics of nonrelativistic quantum mechanics

    NASA Astrophysics Data System (ADS)

    Efthimiades, Spyros

    2017-01-01

    We show that the wavefunction of an electron interacting with an electric potential is accurately represented by the superposition of plane waves that fulfills the total energy relation. As a result, we explicitly derive the Schrödinger, Pauli, Klein-Gordon, and Dirac equations. While the traditional nonrelativistic quantum dynamics is based on postulates, the dynamics we introduce is theoretically justified, in agreement with experimental measurements, and consistent with the fundamental theory of quantum electrodynamics.

  18. Fundamental Quantum Mechanics--A Graphic Presentation

    ERIC Educational Resources Information Center

    Wise, M. N.; Kelley, T. G.

    1977-01-01

    Describes a presentation of basic quantum mechanics for nonscience majors that relies on a computer-generated graphic display to circumvent the usual mathematical difficulties. It allows a detailed treatment of free-particle motion in a wave picture. (MLH)

  19. Quantum mechanical streamlines. I - Square potential barrier

    NASA Technical Reports Server (NTRS)

    Hirschfelder, J. O.; Christoph, A. C.; Palke, W. E.

    1974-01-01

    Exact numerical calculations are made for scattering of quantum mechanical particles hitting a square two-dimensional potential barrier (an exact analog of the Goos-Haenchen optical experiments). Quantum mechanical streamlines are plotted and found to be smooth and continuous, to have continuous first derivatives even through the classical forbidden region, and to form quantized vortices around each of the nodal points. A comparison is made between the present numerical calculations and the stationary wave approximation, and good agreement is found between both the Goos-Haenchen shifts and the reflection coefficients. The time-independent Schroedinger equation for real wavefunctions is reduced to solving a nonlinear first-order partial differential equation, leading to a generalization of the Prager-Hirschfelder perturbation scheme. Implications of the hydrodynamical formulation of quantum mechanics are discussed, and cases are cited where quantum and classical mechanical motions are identical.

  20. Quantum mechanical stabilization of Minkowski signature wormholes

    SciTech Connect

    Visser, M.

    1989-05-19

    When one attempts to construct classical wormholes in Minkowski signature Lorentzian spacetimes violations of both the weak energy hypothesis and averaged weak energy hypothesis are encountered. Since the weak energy hypothesis is experimentally known to be violated quantum mechanically, this suggests that a quantum mechanical analysis of Minkowski signature wormholes is in order. In this note I perform a minisuperspace analysis of a simple class of Minkowski signature wormholes. By solving the Wheeler-de Witt equation for pure Einstein gravity on this minisuperspace the quantum mechanical wave function of the wormhole is obtained in closed form. The wormhole is shown to be quantum mechanically stabilized with an average radius of order the Planck length. 8 refs.

  1. Uncertainty in quantum mechanics: faith or fantasy?

    PubMed

    Penrose, Roger

    2011-12-13

    The word 'uncertainty', in the context of quantum mechanics, usually evokes an impression of an essential unknowability of what might actually be going on at the quantum level of activity, as is made explicit in Heisenberg's uncertainty principle, and in the fact that the theory normally provides only probabilities for the results of quantum measurement. These issues limit our ultimate understanding of the behaviour of things, if we take quantum mechanics to represent an absolute truth. But they do not cause us to put that very 'truth' into question. This article addresses the issue of quantum 'uncertainty' from a different perspective, raising the question of whether this term might be applied to the theory itself, despite its unrefuted huge success over an enormously diverse range of observed phenomena. There are, indeed, seeming internal contradictions in the theory that lead us to infer that a total faith in it at all levels of scale leads us to almost fantastical implications.

  2. On the geometrization of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Tavernelli, Ivano

    2016-08-01

    Nonrelativistic quantum mechanics is commonly formulated in terms of wavefunctions (probability amplitudes) obeying the static and the time-dependent Schrödinger equations (SE). Despite the success of this representation of the quantum world a wave-particle duality concept is required to reconcile the theory with observations (experimental measurements). A first solution to this dichotomy was introduced in the de Broglie-Bohm theory according to which a pilot-wave (solution of the SE) is guiding the evolution of particle trajectories. Here, I propose a geometrization of quantum mechanics that describes the time evolution of particles as geodesic lines in a curved space, whose curvature is induced by the quantum potential. This formulation allows therefore the incorporation of all quantum effects into the geometry of space-time, as it is the case for gravitation in the general relativity.

  3. Macroscopic quantum mechanics in a classical spacetime.

    PubMed

    Yang, Huan; Miao, Haixing; Lee, Da-Shin; Helou, Bassam; Chen, Yanbei

    2013-04-26

    We apply the many-particle Schrödinger-Newton equation, which describes the coevolution of a many-particle quantum wave function and a classical space-time geometry, to macroscopic mechanical objects. By averaging over motions of the objects' internal degrees of freedom, we obtain an effective Schrödinger-Newton equation for their centers of mass, which can be monitored and manipulated at quantum levels by state-of-the-art optomechanics experiments. For a single macroscopic object moving quantum mechanically within a harmonic potential well, its quantum uncertainty is found to evolve at a frequency different from its classical eigenfrequency-with a difference that depends on the internal structure of the object-and can be observable using current technology. For several objects, the Schrödinger-Newton equation predicts semiclassical motions just like Newtonian physics, yet quantum uncertainty cannot be transferred from one object to another.

  4. On the geometrization of quantum mechanics

    SciTech Connect

    Tavernelli, Ivano

    2016-08-15

    Nonrelativistic quantum mechanics is commonly formulated in terms of wavefunctions (probability amplitudes) obeying the static and the time-dependent Schrödinger equations (SE). Despite the success of this representation of the quantum world a wave–particle duality concept is required to reconcile the theory with observations (experimental measurements). A first solution to this dichotomy was introduced in the de Broglie–Bohm theory according to which a pilot-wave (solution of the SE) is guiding the evolution of particle trajectories. Here, I propose a geometrization of quantum mechanics that describes the time evolution of particles as geodesic lines in a curved space, whose curvature is induced by the quantum potential. This formulation allows therefore the incorporation of all quantum effects into the geometry of space–time, as it is the case for gravitation in the general relativity.

  5. Antonio Gramsci's Reflection on Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Tassani, Isabella

    2006-06-01

    As the first step of a wider historical reconstruction of the reception of quantum mechanics in the nineteenth-century philosophy, we are going to consider Antonio Gramsci's philosophy. He asks himself about the nature of quantum objects, if their existence depends on the act of measuring by the experimenter and if this kind of relationship can be interpreted as an argument in favour of an immaterialistic philosophy. We will remark how an idealistic interpretation of quantum mechanics found a fertile field in the Italian culture, characterized by an antiscientific attitude and at the same time needing to find in science a term of comparison.

  6. Quantum mechanics near closed timelike lines

    NASA Astrophysics Data System (ADS)

    Deutsch, David

    1991-11-01

    The methods of the quantum theory of computation are used to analyze the physics of closed timelike lines. This is dominated, even at the macroscopic level, by quantum mechanics. In classical physics the existence of such lines in a spacetime imposes ``paradoxical'' constraints on the state of matter in their past and also provides means for knowledge to be created in ways that conflict with the principles of the philosophy of science. In quantum mechanics the first of these pathologies does not occur. The second is mitigated, and may be avoidable without such spacetimes being ruled out. Several novel and distinctive (but nonparadoxical) quantum-mechanical effects occur on and near closed timelike lines, including violations of the correspondence principle and of unitarity. It becomes possible to ``clone'' quantum systems and to measure the state of a quantum system. A new experimental test of the Everett interpretation against all others becomes possible. Consideration of these and other effects sheds light on the nature of quantum mechanics.

  7. A covariant extrapolation of the noncovariant two particle Wheeler-Feynman Hamiltonian from the Todorov equation and Dirac's constraint mechanics

    NASA Astrophysics Data System (ADS)

    Crater, Horace; Yang, Dujiu

    1991-09-01

    A semirelativistic expansion in powers of 1/c2 is canonically matched through order (1/c4) of the two-particle total Hamiltonian of Wheeler-Feynman vector and scalar electrodynamics to a similar expansion of the center of momentum (c.m.) total energy of two interacting particles obtained from covariant generalized mass shell constraints derived with the use of the classical Todorov equation and Dirac's Hamiltonian constraint mechanics. This determines through order 1/c4 the direct interaction used in the covariant Todorov constraint equation. We show that these interactions are momentum independent in spite of the extensive and complicated momentum dependence of the potential energy terms in the Wheeler-Feynman Hamiltonian. The invariant expressions for the relativistic reduced mass and energy of the fictitious particle of relative motion used in the Todorov equation are also dynamically determined through this order by this same procedure. The resultant covariant Todorov equation then not only reproduces the noncovariant Wheeler-Feynman dynamics through order 1/c4 but also implicitly provides a rather simple covariant extrapolation of it to all orders of 1/c2.

  8. Lagrangian and Hamiltonian Mechanics on Fractals Subset of Real-Line

    NASA Astrophysics Data System (ADS)

    Golmankhaneh, Alireza Khalili; Golmankhaneh, Ali Khalili; Baleanu, Dumitru

    2013-11-01

    A discontinuous media can be described by fractal dimensions. Fractal objects has special geometric properties, which are discrete and discontinuous structure. A fractal-time diffusion equation is a model for subdiffusive. In this work, we have generalized the Hamiltonian and Lagrangian dynamics on fractal using the fractional local derivative, so one can use as a new mathematical model for the motion in the fractal media. More, Poisson bracket on fractal subset of real line is suggested.

  9. A "Bit" of Quantum Mechanics

    ERIC Educational Resources Information Center

    Oss, Stefano; Rosi, Tommaso

    2015-01-01

    We have developed an app for iOS-based smart-phones/tablets that allows a 3-D, complex phase-based colorful visualization of hydrogen atom wave functions. Several important features of the quantum behavior of atomic orbitals can easily be made evident, thus making this app a useful companion in introductory modern physics classes. There are many…

  10. Quantum approach to classical statistical mechanics.

    PubMed

    Somma, R D; Batista, C D; Ortiz, G

    2007-07-20

    We present a new approach to study the thermodynamic properties of d-dimensional classical systems by reducing the problem to the computation of ground state properties of a d-dimensional quantum model. This classical-to-quantum mapping allows us to extend the scope of standard optimization methods by unifying them under a general framework. The quantum annealing method is naturally extended to simulate classical systems at finite temperatures. We derive the rates to assure convergence to the optimal thermodynamic state using the adiabatic theorem of quantum mechanics. For simulated and quantum annealing, we obtain the asymptotic rates of T(t) approximately (pN)/(k(B)logt) and gamma(t) approximately (Nt)(-c/N), for the temperature and magnetic field, respectively. Other annealing strategies are also discussed.

  11. Nonrelativistic Quantum Mechanics with Fundamental Environment

    NASA Astrophysics Data System (ADS)

    Gevorkyan, Ashot S.

    2011-03-01

    Spontaneous transitions between bound states of an atomic system, "Lamb Shift" of energy levels and many other phenomena in real nonrelativistic quantum systems are connected within the influence of the quantum vacuum fluctuations ( fundamental environment (FE)) which are impossible to consider in the limits of standard quantum-mechanical approaches. The joint system "quantum system (QS) + FE" is described in the framework of the stochastic differential equation (SDE) of Langevin-Schrödinger (L-Sch) type, and is defined on the extended space R 3 ⊗ R { ξ}, where R 3 and R { ξ} are the Euclidean and functional spaces, respectively. The density matrix for single QS in FE is defined. The entropy of QS entangled with FE is defined and investigated in detail. It is proved that as a result of interaction of QS with environment there arise structures of various topologies which are a new quantum property of the system.

  12. Three-Hilbert-Space Formulation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Znojil, Miloslav

    2009-01-01

    In paper [Znojil M., Phys. Rev. D 78 (2008), 085003, 5 pages, arXiv:0809.2874] the two-Hilbert-space (2HS, a.k.a. cryptohermitian) formulation of Quantum Mechanics has been revisited. In the present continuation of this study (with the spaces in question denoted as H(auxiliary) and H(standard)) we spot a weak point of the 2HS formalism which lies in the double role played by H(auxiliary). As long as this confluence of roles may (and did!) lead to confusion in the literature, we propose an amended, three-Hilbert-space (3HS) reformulation of the same theory. As a byproduct of our analysis of the formalism we offer an amendment of the Dirac's bra-ket notation and we also show how its use clarifies the concept of covariance in time-dependent cases. Via an elementary example we finally explain why in certain quantum systems the generator H(gen) of the time-evolution of the wave functions may differ from their Hamiltonian H.

  13. Measurements and mathematical formalism of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Slavnov, D. A.

    2007-03-01

    A scheme for constructing quantum mechanics is given that does not have Hilbert space and linear operators as its basic elements. Instead, a version of algebraic approach is considered. Elements of a noncommutative algebra (observables) and functionals on this algebra (elementary states) associated with results of single measurements are used as primary components of the scheme. On the one hand, it is possible to use within the scheme the formalism of the standard (Kolmogorov) probability theory, and, on the other hand, it is possible to reproduce the mathematical formalism of standard quantum mechanics, and to study the limits of its applicability. A short outline is given of the necessary material from the theory of algebras and probability theory. It is described how the mathematical scheme of the paper agrees with the theory of quantum measurements, and avoids quantum paradoxes.

  14. Photon Quantum Mechanics in the Undergraduate Curriculum

    NASA Astrophysics Data System (ADS)

    Pearson, Brett; Carson, Zack; Jackson, David

    2011-05-01

    Although it has been discussed for centuries, the true nature of light is still being debated. In fact, the quantum mechanical aspects of light have only been observed within the past 30 years. Recent advances in technology have decreased the complexity of such tests, and the Department of Physics and Astronomy at Dickinson College has worked to infuse various quantum optics experiments throughout our curriculum. We describe a set of experiments that includes the existence of photons, single-photon interference, the quantum eraser, and tests of Bell's theorem. A primary motivation is bringing undergraduate students face to face with some of the fascinating and subtle aspects of quantum mechanics in a hands-on setting. Supported by Dickinson College and NSF DUE-0737230.

  15. Optimal guidance law in quantum mechanics

    SciTech Connect

    Yang, Ciann-Dong Cheng, Lieh-Lieh

    2013-11-15

    Following de Broglie’s idea of a pilot wave, this paper treats quantum mechanics as a problem of stochastic optimal guidance law design. The guidance scenario considered in the quantum world is that an electron is the flight vehicle to be guided and its accompanying pilot wave is the guidance law to be designed so as to guide the electron to a random target driven by the Wiener process, while minimizing a cost-to-go function. After solving the stochastic optimal guidance problem by differential dynamic programming, we point out that the optimal pilot wave guiding the particle’s motion is just the wavefunction Ψ(t,x), a solution to the Schrödinger equation; meanwhile, the closed-loop guidance system forms a complex state–space dynamics for Ψ(t,x), from which quantum operators emerge naturally. Quantum trajectories under the action of the optimal guidance law are solved and their statistical distribution is shown to coincide with the prediction of the probability density function Ψ{sup ∗}Ψ. -- Highlights: •Treating quantum mechanics as a pursuit-evasion game. •Reveal an interesting analogy between guided flight motion and guided quantum motion. •Solve optimal quantum guidance problem by dynamic programming. •Gives a formal proof of de Broglie–Bohm’s idea of a pilot wave. •The optimal pilot wave is shown to be a wavefunction solved from Schrödinger equation.

  16. Superintegrability with third order integrals of motion, cubic algebras, and supersymmetric quantum mechanics. I. Rational function potentials

    SciTech Connect

    Marquette, Ian

    2009-01-15

    We consider a superintegrable Hamiltonian system in a two-dimensional space with a scalar potential that allows one quadratic and one cubic integrals of motion. We construct the most general cubic algebra and we present specific realizations. We use them to calculate the energy spectrum. All classical and quantum superintegrable potentials separable in Cartesian coordinates with a third order integral are known. The general formalism is applied to quantum reducible and irreducible rational potentials separable in Cartesian coordinates in E{sub 2}. We also discuss these potentials from the point of view of supersymmetric and PT-symmetric quantum mechanics.

  17. Computations in quantum mechanics made easy

    NASA Astrophysics Data System (ADS)

    Korsch, H. J.; Rapedius, K.

    2016-09-01

    Convenient and simple numerical techniques for performing quantum computations based on matrix representations of Hilbert space operators are presented and illustrated by various examples. The applications include the calculations of spectral and dynamical properties for one-dimensional and two-dimensional single-particle systems as well as bosonic many-particle and open quantum systems. Due to their technical simplicity these methods are well suited as a tool for teaching quantum mechanics to undergraduates and graduates. Explicit implementations of the presented numerical methods in Matlab are given.

  18. Emergent quantum mechanics of finances

    NASA Astrophysics Data System (ADS)

    Nastasiuk, Vadim A.

    2014-06-01

    This paper is an attempt at understanding the quantum-like dynamics of financial markets in terms of non-differentiable price-time continuum having fractal properties. The main steps of this development are the statistical scaling, the non-differentiability hypothesis, and the equations of motion entailed by this hypothesis. From perspective of the proposed theory the dynamics of S&P500 index are analyzed.

  19. Hamiltonian description of the ideal fluid

    SciTech Connect

    Morrison, P.J.

    1994-01-01

    Fluid mechanics is examined from a Hamiltonian perspective. The Hamiltonian point of view provides a unifying framework; by understanding the Hamiltonian perspective, one knows in advance (within bounds) what answers to expect and what kinds of procedures can be performed. The material is organized into five lectures, on the following topics: rudiments of few-degree-of-freedom Hamiltonian systems illustrated by passive advection in two-dimensional fluids; functional differentiation, two action principles of mechanics, and the action principle and canonical Hamiltonian description of the ideal fluid; noncanonical Hamiltonian dynamics with examples; tutorial on Lie groups and algebras, reduction-realization, and Clebsch variables; and stability and Hamiltonian systems.

  20. Quantum Mechanics with a Momentum-Space Artificial Magnetic Field

    NASA Astrophysics Data System (ADS)

    Price, Hannah M.; Ozawa, Tomoki; Carusotto, Iacopo

    2014-11-01

    The Berry curvature is a geometrical property of an energy band which acts as a momentum space magnetic field in the effective Hamiltonian describing single-particle quantum dynamics. We show how this perspective may be exploited to study systems directly relevant to ultracold gases and photonics. Given the exchanged roles of momentum and position, we demonstrate that the global topology of momentum space is crucially important. We propose an experiment to study the Harper-Hofstadter Hamiltonian with a harmonic trap that will illustrate the advantages of this approach and that will also constitute the first realization of magnetism on a torus.

  1. Multichannel framework for singular quantum mechanics

    SciTech Connect

    Camblong, Horacio E.; Epele, Luis N.; Fanchiotti, Huner; García Canal, Carlos A.; Ordóñez, Carlos R.

    2014-01-15

    A multichannel S-matrix framework for singular quantum mechanics (SQM) subsumes the renormalization and self-adjoint extension methods and resolves its boundary-condition ambiguities. In addition to the standard channel accessible to a distant (“asymptotic”) observer, one supplementary channel opens up at each coordinate singularity, where local outgoing and ingoing singularity waves coexist. The channels are linked by a fully unitary S-matrix, which governs all possible scenarios, including cases with an apparent nonunitary behavior as viewed from asymptotic distances. -- Highlights: •A multichannel framework is proposed for singular quantum mechanics and analogues. •The framework unifies several established approaches for singular potentials. •Singular points are treated as new scattering channels. •Nonunitary asymptotic behavior is subsumed in a unitary multichannel S-matrix. •Conformal quantum mechanics and the inverse quartic potential are highlighted.

  2. An Axiomatic Basis for Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Cassinelli, Gianni; Lahti, Pekka

    2016-10-01

    In this paper we use the framework of generalized probabilistic theories to present two sets of basic assumptions, called axioms, for which we show that they lead to the Hilbert space formulation of quantum mechanics. The key results in this derivation are the co-ordinatization of generalized geometries and a theorem of Solér which characterizes Hilbert spaces among the orthomodular spaces. A generalized Wigner theorem is applied to reduce some of the assumptions of Solér's theorem to the theory of symmetry in quantum mechanics. Since this reduction is only partial we also point out the remaining open questions.

  3. Two basic Uncertainty Relations in Quantum Mechanics

    SciTech Connect

    Angelow, Andrey

    2011-04-07

    In the present article, we discuss two types of uncertainty relations in Quantum Mechanics-multiplicative and additive inequalities for two canonical observables. The multiplicative uncertainty relation was discovered by Heisenberg. Few years later (1930) Erwin Schroedinger has generalized and made it more precise than the original. The additive uncertainty relation is based on the three independent statistical moments in Quantum Mechanics-Cov(q,p), Var(q) and Var(p). We discuss the existing symmetry of both types of relations and applicability of the additive form for the estimation of the total error.

  4. Two basic Uncertainty Relations in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Angelow, Andrey

    2011-04-01

    In the present article, we discuss two types of uncertainty relations in Quantum Mechanics-multiplicative and additive inequalities for two canonical observables. The multiplicative uncertainty relation was discovered by Heisenberg. Few years later (1930) Erwin Schrödinger has generalized and made it more precise than the original. The additive uncertainty relation is based on the three independent statistical moments in Quantum Mechanics-Cov(q,p), Var(q) and Var(p). We discuss the existing symmetry of both types of relations and applicability of the additive form for the estimation of the total error.

  5. Quantum Mechanical Aspects of Free Electron Lasers.

    NASA Astrophysics Data System (ADS)

    Saritepe, Selcuk

    Scope of study. A 2-D quantum theory of the Free Electron Laser (FEL) has been developed based on the solutions of Dirac equation for the motion of electrons moving in various wiggler geometries, uniform, tapered and enhanced by an axial guide field. It is shown that these solutions can be written in terms of Mathieu functions of fractional order. Using these solutions a perturbational analysis is carried out to calculate the frequencies and the gain of the FEL in each magnet configuration. Finally, an optical model for the FEL interaction is developed to explain the saturation behaviour and the short-pulse effects such as Laser Lethargy. Findings and conclusions. It is found that the quantum mechanical effects due to transverse momentum correction were gamma (Lorentz factor) times larger than the quantum recoil and spin effects and therefore important for the short wavelength FELs. These quantum mechanical effects cause a broadening in the spontaneous emission lineshape, a decrease in gain and an increase in the rate of harmonic frequency generation. In the presence of an axial field, gain is increased, harmonic frequency rate is reduced and Dirac solutions exhibit instability. The optical model developed in this thesis correctly predicts the oscillator rise time and uses a simpler algorithm to calculate the nonlinear saturation behaviour. Optical model also incorporates inhomogeneous broadening and quantum mechanical effects and explains the Laser Lethargy effect as an optical pulse compression phenomenon.

  6. A new introductory quantum mechanics curriculum

    NASA Astrophysics Data System (ADS)

    Kohnle, Antje; Bozhinova, Inna; Browne, Dan; Everitt, Mark; Fomins, Aleksejs; Kok, Pieter; Kulaitis, Gytis; Prokopas, Martynas; Raine, Derek; Swinbank, Elizabeth

    2014-01-01

    The Institute of Physics New Quantum Curriculum consists of freely available online learning and teaching materials (quantumphysics.iop.org) for a first course in university quantum mechanics starting from two-level systems. This approach immediately immerses students in inherently quantum-mechanical aspects by focusing on experiments that have no classical explanation. It allows from the start a discussion of the interpretive aspects of quantum mechanics and quantum information theory. This paper gives an overview of the resources available from the IOP website. The core text includes around 80 articles which are co-authored by leading experts, arranged in themes, and can be used flexibly to provide a range of alternative approaches. Many of the articles include interactive simulations with accompanying activities and problem sets that can be explored by students to enhance their understanding. Much of the linear algebra needed for this approach is included in the resource. Solutions to activities are available to instructors. The resources can be used in a variety of ways, from being supplemental to existing courses to forming a complete programme.

  7. PREFACE: Singular interactions in quantum mechanics: solvable models

    NASA Astrophysics Data System (ADS)

    Dell'Antonio, Gianfausto; Exner, Pavel; Geyler, Vladimir

    2005-06-01

    conditions at vertices directly. Two papers are devoted to inverse problems in this context: M Harmer studies inverse scattering for the matrix Schrödinger operator on the halfline with applications to star graphs, while P Kurasov and M Nowaczyk give a mathematically rigorous version of the known Gutkin-Smilansky result on the inverse spectral problem. The paper by O Post contributes to the question of how graphs can be approximated by more realistic `fat' graphs, and describes a class leading to disconnected quantum graphs. Finally, S Kondej and one of the editors study scattering in the context of `leaky' graphs which takes quantum tunnelling into account. While most results in this field describe one-particle Hamiltonians, more complicated systems have also been studied. In this issue we have three examples. C Cacciapuito, R Carlone, and R Figari discuss decoherence in a simple model of two particles, one heavy and one light, interacting through a δ potential; they give a rigorous meaning to a formula derived by Joos and Zeh. A related model by R Figari and A Teta is used to describe ionization. M Hallnäs, E Langmann, and C Paufler treat a true N-body situation, namely a model of one-dimensional gas of distinguishable particles interacting through generalized point interactions; they write the Bethe ansatz and present the solution of a particular case. The last group is a collection of contributions which in one sense or another are outside quantum mechanics, either modifying its postulates or applying it to a different physical situation. The latter applies to the paper of D Noja and A Posilicano in which they study nonlinear wave equations with point perturbations and show the existence of a solution to the Cauchy problem. F Coutinho et al discuss one-dimensional point interactions with energy-dependent coupling constant, S Albeverio and S Kuzhel examine a class of point interactions which are not symmetric but P-symmetric, where P is the parity operator, and M

  8. Quantum Mechanics in the Light of Quantum Cosmology

    NASA Astrophysics Data System (ADS)

    Gell-Mann, Murray; Hartle, James B.

    We sketch a quantum-mechanical framework for the universe as a whole. Within that framework we propose a program for describing the ultimate origin in quantum cosmology of the "quasiclassical domain" of familiar experience and for characterizing the process of measurement. Predictions in quantum mechanics are made from probabilities for sets of alternative histories. Probabilities (approximately obeying the rules of probability theory) can be assigned only to sets of histories that approximately decohere. Decoherence is defined and the mechanism of decoherence is reviewed. Decoherence requires a sufficiently coarse-grained description of alternative histories of the universe. A quasiclassical domain consists of a branching set of alternative decohering histories, described by a coarse graining that is, in an appropriate sense, maximally refined consistent with decoherence, with individual branches that exhibit a high level of classical correlation in time. We pose the problem of making these notions precise and quantitative. A quasiclassical domain is emergent in the universe as a consequence of the initial condition and the action function of the elementary particles. It is an important question whether all the quasiclassical domains are roughly equivalent or whether there are various essentially inequivalent ones. A measurement is a correlation with variables in a quasiclassical domain. An "observer" (or information gathering and utilizing system) is a complex adaptive system that has evolved to exploit the relative predictability of a quasiclassical domain, or rather a set of such domains among which it cannot discriminate because of its own very coarse graining. We suggest that resolution of many of the problems of interpretation presented by quantum mechanics is to be accomplished, not by further scrutiny of the subject as it applies to reproducible laboratory situations, but rather by an examination of alternative histories of the universe, stemming from its

  9. What is behind small deviations of quantum mechanics theory from experiments? Observer's mathematics point of view

    NASA Astrophysics Data System (ADS)

    Khots, Boris; Khots, Dmitriy

    2014-12-01

    Certain results that have been predicted by Quantum Mechanics (QM) theory are not always supported by experiments. This defines a deep crisis in contemporary physics and, in particular, quantum mechanics. We believe that, in fact, the mathematical apparatus employed within today's physics is a possible reason. In particular, we consider the concept of infinity that exists in today's mathematics as the root cause of this problem. We have created Observer's Mathematics that offers an alternative to contemporary mathematics. This paper is an attempt to relay how Observer's Mathematics may explain some of the contradictions in QM theory results. We consider the Hamiltonian Mechanics, Newton equation, Schrodinger equation, two slit interference, wave-particle duality for single photons, uncertainty principle, Dirac equations for free electron in a setting of arithmetic, algebra, and topology provided by Observer's Mathematics (see www.mathrelativity.com). Certain results and communications pertaining to solution of these problems are provided.

  10. What is behind small deviations of quantum mechanics theory from experiments? Observer's mathematics point of view

    SciTech Connect

    Khots, Boris; Khots, Dmitriy

    2014-12-10

    Certain results that have been predicted by Quantum Mechanics (QM) theory are not always supported by experiments. This defines a deep crisis in contemporary physics and, in particular, quantum mechanics. We believe that, in fact, the mathematical apparatus employed within today's physics is a possible reason. In particular, we consider the concept of infinity that exists in today's mathematics as the root cause of this problem. We have created Observer's Mathematics that offers an alternative to contemporary mathematics. This paper is an attempt to relay how Observer's Mathematics may explain some of the contradictions in QM theory results. We consider the Hamiltonian Mechanics, Newton equation, Schrodinger equation, two slit interference, wave-particle duality for single photons, uncertainty principle, Dirac equations for free electron in a setting of arithmetic, algebra, and topology provided by Observer's Mathematics (see www.mathrelativity.com). Certain results and communications pertaining to solution of these problems are provided.

  11. Consistent interpretations of quantum mechanics

    SciTech Connect

    Omnes, R. )

    1992-04-01

    Within the last decade, significant progress has been made towards a consistent and complete reformulation of the Copenhagen interpretation (an interpretation consisting in a formulation of the experimental aspects of physics in terms of the basic formalism; it is consistent if free from internal contradiction and complete if it provides precise predictions for all experiments). The main steps involved decoherence (the transition from linear superpositions of macroscopic states to a mixing), Griffiths histories describing the evolution of quantum properties, a convenient logical structure for dealing with histories, and also some progress in semiclassical physics, which was made possible by new methods. The main outcome is a theory of phenomena, viz., the classically meaningful properties of a macroscopic system. It shows in particular how and when determinism is valid. This theory can be used to give a deductive form to measurement theory, which now covers some cases that were initially devised as counterexamples against the Copenhagen interpretation. These theories are described, together with their applications to some key experiments and some of their consequences concerning epistemology.

  12. Emerging interpretations of quantum mechanics and recent progress in quantum measurement

    NASA Astrophysics Data System (ADS)

    Clarke, M. L.

    2014-01-01

    The focus of this paper is to provide a brief discussion on the quantum measurement process, by reviewing select examples highlighting recent progress towards its understanding. The areas explored include an outline of the measurement problem, the standard interpretation of quantum mechanics, quantum to classical transition, types of measurement (including weak and projective measurements) and newly emerging interpretations of quantum mechanics (decoherence theory, objective reality, quantum Darwinism and quantum Bayesianism).

  13. Comparison of Classical and Quantum Mechanical Uncertainties.

    ERIC Educational Resources Information Center

    Peslak, John, Jr.

    1979-01-01

    Comparisons are made for the particle-in-a-box, the harmonic oscillator, and the one-electron atom. A classical uncertainty principle is derived and compared with its quantum-mechanical counterpart. The results are discussed in terms of the statistical interpretation of the uncertainty principle. (Author/BB)

  14. The geometric semantics of algebraic quantum mechanics.

    PubMed

    Cruz Morales, John Alexander; Zilber, Boris

    2015-08-06

    In this paper, we will present an ongoing project that aims to use model theory as a suitable mathematical setting for studying the formalism of quantum mechanics. We argue that this approach provides a geometric semantics for such a formalism by means of establishing a (non-commutative) duality between certain algebraic and geometric objects.

  15. Quantum mechanics is compatible with realism

    SciTech Connect

    Burgos, M.E.

    1987-08-01

    A new paradox of quantum mechanics has recently been proposed by an author claiming that any attempt to inject realism in physical theory is bound to lead to inconsistencies. In this paper the author shows that the mentioned paradox is not such a one and that at present there are no reasons to reject realism.

  16. Holism, physical theories and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Seevinck, M. P.

    Motivated by the question what it is that makes quantum mechanics a holistic theory (if so), I try to define for general physical theories what we mean by `holism'. For this purpose I propose an epistemological criterion to decide whether or not a physical theory is holistic, namely: a physical theory is holistic if and only if it is impossible in principle to infer the global properties, as assigned in the theory, by local resources available to an agent. I propose that these resources include at least all local operations and classical communication. This approach is contrasted with the well-known approaches to holism in terms of supervenience. The criterion for holism proposed here involves a shift in emphasis from ontology to epistemology. I apply this epistemological criterion to classical physics and Bohmian mechanics as represented on a phase and configuration space respectively, and for quantum mechanics (in the orthodox interpretation) using the formalism of general quantum operations as completely positive trace non-increasing maps. Furthermore, I provide an interesting example from which one can conclude that quantum mechanics is holistic in the above mentioned sense, although, perhaps surprisingly, no entanglement is needed.

  17. Time and the foundations of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Pashby, Thomas

    Quantum mechanics has provided philosophers of science with many counterintuitive insights and interpretive puzzles, but little has been written about the role that time plays in the theory. One reason for this is the celebrated argument of Wolfgang Pauli against the inclusion of time as an observable of the theory, which has been seen as a demonstration that time may only enter the theory as a classical parameter. Against this orthodoxy I argue that there are good reasons to expect certain kinds of `time observables' to find a representation within quantum theory, including clock operators (which provide the means to measure the passage of time) and event time operators, which provide predictions for the time at which a particular event occurs, such as the appearance of a dot on a luminescent screen. I contend that these time operators deserve full status as observables of the theory, and on re ection provide a uniquely compelling reason to expand the set of observables allowed by the standard formalism of quantum mechanics. In addition, I provide a novel association of event time operators with conditional probabilities, and propose a temporally extended form of quantum theory to better accommodate the time of an event as an observable quantity. This leads to a proposal to interpret quantum theory within an event ontology, inspired by Bertrand Russell's Analysis of Matter. On this basis I mount a defense of Russell's relational theory of time against a recent attack.

  18. The Compton effect: Transition to quantum mechanics

    NASA Astrophysics Data System (ADS)

    Stuewer, R. H.

    2000-11-01

    The discovery of the Compton effect at the end of 1922 was a decisive event in the transition to the new quantum mechanics of 1925-1926 because it stimulated physicists to examine anew the fundamental problem of the interaction between radiation and matter. I first discuss Albert Einstein's light-quantum hypothesis of 1905 and why physicists greeted it with extreme skepticism, despite Robert A. Millikan's confirmation of Einstein's equation of the photoelectric effect in 1915. I then follow in some detail the experimental and theoretical research program that Arthur Holly Compton pursued between 1916 and 1922 at the University of Minnesota, the Westinghouse Lamp Company, the Cavendish Laboratory, and Washington University that culminated in his discovery of the Compton effect. Surprisingly, Compton was not influenced directly by Einstein's light-quantum hypothesis, in contrast to Peter Debye and H.A. Kramers, who discovered the quantum theory of scattering independently. I close by discussing the most significant response to that discovery, the Bohr-Kramers-Slater theory of 1924, its experimental refutation, and its influence on the emerging new quantum mechanics.

  19. Time in classical and in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Elçi, A.

    2010-07-01

    This paper presents an analysis of the time concept in classical mechanics from the perspective of the invariants of a motion. The analysis shows that there is a conceptual gap concerning time in the Dirac-Heisenberg-von Neumann formalism and that Bohr's complementarity principle does not fill the gap. In the Dirac-Heisenberg-von Neumann formalism, a particle's properties are represented by Heisenberg matrices. This axiom is the source of the time problem in quantum mechanics.

  20. Quantum mechanical studies of carbon structures

    SciTech Connect

    Bartelt, Norman Charles; Ward, Donald; Zhou, Xiaowang; Foster, Michael E.; Schultz, Peter A.; Wang, Bryan M.; McCarty, Kevin F.

    2015-10-01

    Carbon nanostructures, such as nanotubes and graphene, are of considerable interest due to their unique mechanical and electrical properties. The materials exhibit extremely high strength and conductivity when defects created during synthesis are minimized. Atomistic modeling is one technique for high resolution studies of defect formation and mitigation. To enable simulations of the mechanical behavior and growth mechanisms of C nanostructures, a high-fidelity analytical bond-order potential for the C is needed. To generate inputs for developing such a potential, we performed quantum mechanical calculations of various C structures.

  1. Wave-like variables of a classical particle and their connections to quantum mechanics

    NASA Astrophysics Data System (ADS)

    Yang, Chen

    2017-01-01

    In many texts, the transition from classical mechanics to quantum mechanics is achieved by substituting the action for the phase angle. The paper presents a different approach to show some connections between classical and quantum mechanics for a single particle for an audience at graduate and postgraduate levels. Firstly, it is shown that a wave equation of action can be derived under the free particle condition and the Legendre transform. The wave-like solutions of the action, Hamiltonian and momentum of the free particle are presented. Using the discrete approximation, the equation of motion of a single particle, in scalar potential field, is obtained in a similar form to Schrödinger’s equation. The rest of the paper discusses the propagation, superposition of the wave-like dynamic variables and their connections to quantum mechanics. The superposition of the variables of a particle is generally distinct from the superposition of classical waves (e.g. acoustics). The quantum superposition provides a self-consistent interpretation of the wave-like solutions of the variables. Connections between the classical and quantum relations for corresponding variables are observed from the one-to-one comparisons.

  2. Quantum mechanics of 4-derivative theories.

    PubMed

    Salvio, Alberto; Strumia, Alessandro

    2016-01-01

    A renormalizable theory of gravity is obtained if the dimension-less 4-derivative kinetic term of the graviton, which classically suffers from negative unbounded energy, admits a sensible quantization. We find that a 4-derivative degree of freedom involves a canonical coordinate with unusual time-inversion parity, and that a correspondingly unusual representation must be employed for the relative quantum operator. The resulting theory has positive energy eigenvalues, normalizable wavefunctions, unitary evolution in a negative-norm configuration space. We present a formalism for quantum mechanics with a generic norm.

  3. A Primer on Resonances in Quantum Mechanics

    SciTech Connect

    Rosas-Ortiz, Oscar; Fernandez-Garcia, Nicolas; Cruz y Cruz, Sara

    2008-11-13

    After a pedagogical introduction to the concept of resonance in classical and quantum mechanics, some interesting applications are discussed. The subject includes resonances occurring as one of the effects of radiative reaction, the resonances involved in the refraction of electromagnetic waves by a medium with a complex refractive index, and quantum decaying systems described in terms of resonant states of the energy (Gamow-Siegert functions). Some useful mathematical approaches like the Fourier transform, the complex scaling method and the Darboux transformation are also reviewed.

  4. Quantum mechanical coherence, resonance, and mind

    SciTech Connect

    Stapp, H.P.

    1995-03-26

    Norbert Wiener and J.B.S. Haldane suggested during the early thirties that the profound changes in our conception of matter entailed by quantum theory opens the way for our thoughts, and other experiential or mind-like qualities, to play a role in nature that is causally interactive and effective, rather than purely epiphenomenal, as required by classical mechanics. The mathematical basis of this suggestion is described here, and it is then shown how, by giving mind this efficacious role in natural process, the classical character of our perceptions of the quantum universe can be seen to be a consequence of evolutionary pressures for the survival of the species.

  5. Neutrino oscillations: Quantum mechanics vs. quantum field theory

    SciTech Connect

    Akhmedov, Evgeny Kh.; Kopp, Joachim

    2010-01-01

    A consistent description of neutrino oscillations requires either the quantum-mechanical (QM) wave packet approach or a quantum field theoretic (QFT) treatment. We compare these two approaches to neutrino oscillations and discuss the correspondence between them. In particular, we derive expressions for the QM neutrino wave packets from QFT and relate the free parameters of the QM framework, in particular the effective momentum uncertainty of the neutrino state, to the more fundamental parameters of the QFT approach. We include in our discussion the possibilities that some of the neutrino's interaction partners are not detected, that the neutrino is produced in the decay of an unstable parent particle, and that the overlap of the wave packets of the particles involved in the neutrino production (or detection) process is not maximal. Finally, we demonstrate how the properly normalized oscillation probabilities can be obtained in the QFT framework without an ad hoc normalization procedure employed in the QM approach.

  6. Suppression of the quantum-mechanical collapse by repulsive interactions in a quantum gas

    SciTech Connect

    Sakaguchi, Hidetsugu; Malomed, Boris A.

    2011-01-15

    The quantum-mechanical collapse (alias fall onto the center of particles attracted by potential -r{sup -2}) is a well-known issue in quantum theory. It is closely related to the quantum anomaly, i.e., breaking of the scaling invariance of the respective Hamiltonian by quantization. We demonstrate that the mean-field repulsive nonlinearity prevents the collapse and thus puts forward a solution to the quantum-anomaly problem that differs from that previously developed in the framework of the linear quantum-field theory. This solution may be realized in the 3D or 2D gas of dipolar bosons attracted by a central charge and in the 2D gas of magnetic dipoles attracted by a current filament. In the 3D setting, the dipole-dipole interactions are also taken into regard, in the mean-field approximation, resulting in a redefinition of the scattering length which accounts for the contact repulsion between the bosons. In lieu of the collapse, the cubic nonlinearity creates a 3D ground state (GS), which does not exist in the respective linear Schroedinger equation. The addition of the harmonic trap gives rise to a tristability, in the case when the Schroedinger equation still does not lead to the collapse. In the 2D setting, the cubic nonlinearity is not strong enough to prevent the collapse; however, the quintic term does it, creating the GS, as well as its counterparts carrying the angular momentum (vorticity). Counterintuitively, such self-trapped 2D modes exist even in the case of a weakly repulsive potential r{sup -2}. The 2D vortical modes avoid the phase singularity at the pivot (r=0) by having the amplitude diverging at r{yields}0 instead of the usual situation with the amplitude of the vortical mode vanishing at r{yields}0 (the norm of the mode converges despite of the singularity of the amplitude at r{yields}0). In the presence of the harmonic trap, the 2D quintic model with a weakly repulsive central potential r{sup -2} gives rise to three confined modes, the middle

  7. Noncommutative quantum mechanics in a time-dependent background

    NASA Astrophysics Data System (ADS)

    Dey, Sanjib; Fring, Andreas

    2014-10-01

    We investigate a quantum mechanical system on a noncommutative space for which the structure constant is explicitly time dependent. Any autonomous Hamiltonian on such a space acquires a time-dependent form in terms of the conventional canonical variables. We employ the Lewis-Riesenfeld method of invariants to construct explicit analytical solutions for the corresponding time-dependent Schrödinger equation. The eigenfunctions are expressed in terms of the solutions of variants of the nonlinear Ermakov-Pinney equation and discussed in detail for various types of background fields. We utilize the solutions to verify a generalized version of Heisenberg's uncertainty relations for which the lower bound becomes a time-dependent function of the background fields. We study the variance for various states, including standard Glauber coherent states with their squeezed versions and Gaussian Klauder coherent states resembling a quasiclassical behavior. No type of coherent state appears to be optimal in general with regard to achieving minimal uncertainties, as this feature turns out to be background field dependent.

  8. N=4, 3D supersymmetric quantum mechanics in a non-Abelian monopole background

    SciTech Connect

    Ivanov, Evgeny; Konyushikhin, Maxim

    2010-10-15

    Using the harmonic superspace approach, we construct the 3D N=4 supersymmetric quantum mechanics of the supermultiplet (3,4,1) coupled to an external SU(2) gauge field. The off-shell N=4 supersymmetry requires the gauge field to be a static form of the 't Hooft ansatz for the 4D self-dual SU(2) gauge fields, that is a particular solution of Bogomolny equations for Bogomolny-Prasad-Sommerfeld monopoles. We present the explicit form of the corresponding superfield and component actions, as well as of the quantum Hamiltonian and N=4 supercharges. The latter can be used to describe a more general N=4 mechanics system, with an arbitrary Bogomolny-Prasad-Sommerfeld monopole background and on-shell N=4 supersymmetry. The essential feature of our construction is the use of semidynamical spin (4,4,0) multiplet with the Wess-Zumino type action.

  9. Dummett vs Bell on quantum mechanics

    NASA Astrophysics Data System (ADS)

    Ben-Menahem, Yemima

    The purpose of this paper is to cast doubt on the common allegation that quantum mechanics (QM) is incompatible with realism. I argue that the results usually considered inimical to realism, notably the violation of Bells inequality, in fact play the opposite role-they support realism. The argument is not intended, however, to demonstrate realism or refute its alternatives as general metaphysical positions. It is directed specifically at the view that QM differs from classical mechanics in that, unlike classical mechanics, it is not amenable to a realist interpretation.

  10. An efficient method for the calculation of quantum mechanics/molecular mechanics free energies

    NASA Astrophysics Data System (ADS)

    Woods, Christopher J.; Manby, Frederick R.; Mulholland, Adrian J.

    2008-01-01

    The combination of quantum mechanics (QM) with molecular mechanics (MM) offers a route to improved accuracy in the study of biological systems, and there is now significant research effort being spent to develop QM/MM methods that can be applied to the calculation of relative free energies. Currently, the computational expense of the QM part of the calculation means that there is no single method that achieves both efficiency and rigor; either the QM/MM free energy method is rigorous and computationally expensive, or the method introduces efficiency-led assumptions that can lead to errors in the result, or a lack of generality of application. In this paper we demonstrate a combined approach to form a single, efficient, and, in principle, exact QM/MM free energy method. We demonstrate the application of this method by using it to explore the difference in hydration of water and methane. We demonstrate that it is possible to calculate highly converged QM/MM relative free energies at the MP2/aug-cc-pVDZ/OPLS level within just two days of computation, using commodity processors, and show how the method allows consistent, high-quality sampling of complex solvent configurational change, both when perturbing hydrophilic water into hydrophobic methane, and also when moving from a MM Hamiltonian to a QM/MM Hamiltonian. The results demonstrate the validity and power of this methodology, and raise important questions regarding the compatibility of MM and QM/MM forcefields, and offer a potential route to improved compatibility.

  11. When a local Hamiltonian must be frustration-free.

    PubMed

    Sattath, Or; Morampudi, Siddhardh C; Laumann, Chris R; Moessner, Roderich

    2016-06-07

    A broad range of quantum optimization problems can be phrased as the question of whether a specific system has a ground state at zero energy, i.e., whether its Hamiltonian is frustration-free. Frustration-free Hamiltonians, in turn, play a central role for constructing and understanding new phases of matter in quantum many-body physics. Unfortunately, determining whether this is the case is known to be a complexity-theoretically intractable problem. This makes it highly desirable to search for efficient heuristics and algorithms to, at least, partially answer this question. Here we prove a general criterion-a sufficient condition-under which a local Hamiltonian is guaranteed to be frustration-free by lifting Shearer's theorem from classical probability theory to the quantum world. Remarkably, evaluating this condition proceeds via a fully classical analysis of a hardcore lattice gas at negative fugacity on the Hamiltonian's interaction graph, which, as a statistical mechanics problem, is of interest in its own right. We concretely apply this criterion to local Hamiltonians on various regular lattices, while bringing to bear the tools of spin glass physics that permit us to obtain new bounds on the satisfiable to unsatisfiable transition in random quantum satisfiability. We are then led to natural conjectures for when such bounds will be tight, as well as to a novel notion of universality for these computer science problems. Besides providing concrete algorithms leading to detailed and quantitative insights, this work underscores the power of marrying classical statistical mechanics with quantum computation and complexity theory.

  12. Hidden variables and nonlocality in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Hemmick, Douglas Lloyd

    1997-05-01

    Most physicists hold a skeptical attitude toward a 'hidden variables' interpretation of quantum theory, despite David Bohm's successful construction of such a theory and John S. Bell's strong arguments in favor of the idea. The first reason for doubt concerns certain mathematical theorems (von Neumann's, Gleason's, Kochen and Specker's, and Bell's) which can be applied to the hidden variables issue. These theorems are often credited with proving that hidden variables are indeed 'impossible', in the sense that they cannot replicate the predictions of quantum mechanics. Many who do not draw such a strong conclusion nevertheless accept that hidden variables have been shown to exhibit prohibitively complicated features. The second concern is that the most sophisticated example of a hidden variables theory-that of David Bohm-exhibits non-locality, i.e., consequences of events at one place can propagate to other places instantaneously. However, neither the mathematical theorems in question nor the attribute of nonlocality detract from the importance of a hidden variables interpretation of quantum theory. Nonlocality is present in quantum mechanics itself, and is a required characteristic of any theory that agrees with the quantum mechanical predictions. We first discuss the earliest analysis of hidden variables-that of von Neumann's theorem-and review John S. Bell's refutation of von Neumann's 'impossibility proof'. We recall and elaborate on Bell's arguments regarding the theorems of Gleason, and Kochen and Specker. According to Bell, these latter theorems do not imply that hidden variables interpretations are untenable, but instead that such theories must exhibit contextuality, i.e., they must allow for the dependence of measurement results on the characteristics of both measured system and measuring apparatus. We demonstrate a new way to understand the implications of both Gleason's theorem and Kochen and Specker's theorem by noting that they prove a result we call

  13. Elastic tunneling charge transport mechanisms in silicon quantum dots /SiO{sub 2} thin films and superlattices

    SciTech Connect

    Illera, S. Prades, J. D.; Cirera, A.

    2015-05-07

    The role of different charge transport mechanisms in Si/SiO{sub 2} structures has been studied. A theoretical model based on the Transfer Hamiltonian Formalism has been developed to explain experimental current trends in terms of three different elastic tunneling processes: (1) trap assisted tunneling; (2) transport through an intermediate quantum dot; and (3) direct tunneling between leads. In general, at low fields carrier transport is dominated by the quantum dots whereas, for moderate and high fields, transport through deep traps inherent to the SiO{sub 2} is the most relevant process. Besides, current trends in Si/SiO{sub 2} superlattice structure have been properly reproduced.

  14. Quantum statistical mechanics in arithmetic topology

    NASA Astrophysics Data System (ADS)

    Marcolli, Matilde; Xu, Yujie

    2017-04-01

    This paper provides a construction of a quantum statistical mechanical system associated to knots in the 3-sphere and cyclic branched coverings of the 3-sphere, which is an analog, in the sense of arithmetic topology, of the Bost-Connes system, with knots replacing primes, and cyclic branched coverings of the 3-sphere replacing abelian extensions of the field of rational numbers. The operator algebraic properties of this system differ significantly from the Bost-Connes case, due to the properties of the action of the semigroup of knots on a direct limit of knot groups. The resulting algebra of observables is a noncommutative Bernoulli product. We describe the main properties of the associated quantum statistical mechanical system and of the relevant partition functions, which are obtained from simple knot invariants like genus and crossing number.

  15. Quantum-Mechanical Prediction of Nanoscale Photovoltaics.

    PubMed

    Zhang, Yu; Meng, LingYi; Yam, ChiYung; Chen, GuanHua

    2014-04-03

    Previous simulations of photovoltaic devices are based on classical models, which neglect the atomistic details and quantum-mechanical effects besides the dependence on many empirical parameters. Here, within the nonequilibrium Green's function formalism, we present a quantum-mechanical study of the performance of inorganic nanowire-based photovoltaic devices. On the basis of density-functional tight-binding theory, the method allows simulation of current-voltage characteristics and optical properties of photovoltaic devices without relying on empirical parameters. Numerical studies of silicon nanowire-based devices of realistic sizes with 10 000 atoms are performed, and the results indicate that atomistic details and nonequilibrium conditions have a clear impact on the photoresponse of the devices.

  16. Applications of computational quantum mechanics

    NASA Astrophysics Data System (ADS)

    Temel, Burcin

    This original research dissertation is composed of a new numerical technique based on Chebyshev polynomials that is applied on scattering problems, a phenomenological kinetics study for CO oxidation on RuO2 surface, and an experimental study on methanol coupling with doped metal oxide catalysts. Minimum Error Method (MEM), a least-squares minimization method, provides an efficient and accurate alternative to solve systems of ordinary differential equations. Existing methods usually utilize matrix methods which are computationally costful. MEM, which is based on the Chebyshev polynomials as a basis set, uses the recursion relationships and fast Chebyshev transforms which scale as O(N). For large basis set calculations this provides an enormous computational efficiency in the calculations. Chebyshev polynomials are also able to represent non-periodic problems very accurately. We applied MEM on elastic and inelastic scattering problems: it is more efficient and accurate than traditionally used Kohn variational principle, and it also provides the wave function in the interaction region. Phenomenological kinetics (PK) is widely used in industry to predict the optimum conditions for a chemical reaction. PK neglects the fluctuations, assumes no lateral interactions, and considers an ideal mix of reactants. The rate equations are tested by fitting the rate constants to the results of the experiments. Unfortunately, there are numerous examples where a fitted mechanism was later shown to be erroneous. We have undertaken a thorough comparison between the phenomenological equations and the results of kinetic Monte Carlo (KMC) simulations performed on the same system. The PK equations are qualitatively consistent with the KMC results but are quantitatively erroneous as a result of interplays between the adsorption and desorption events. The experimental study on methanol coupling with doped metal oxide catalysts demonstrates the doped metal oxides as a new class of catalysts

  17. Probing pores using elementary quantum mechanics.

    PubMed

    Ryu, S

    2001-01-01

    The relaxation of polarized spins in a porous medium has been utilized as a probe of its structure. We note that the governing diffusion problem has a close parallel to that of a particle in a box, an elementary Quantum mechanics toy model. Following the spirits of "free electron" model, we use generic properties of the eigen spectrum to understand features common to a wide variety of pore geometry, consistent with large scale numerical simulations and experimental data.

  18. A quantum mechanics glimpse to standard cosmology

    SciTech Connect

    Barbosa-Cendejas, N.; Reyes, M.

    2010-07-12

    In this work we present a connection between a standard cosmology model for inflation and quantum mechanics. We consider a time independent Schroedinger type equation derived from the equations of motion for a single scalar field in a flat space time with a FRW metric and a cosmological constant; the fact that the equation of motion is precisely a Schroedinger equation allows us to investigate on the algebraic relations between the two models and probe the consequences derived from this point of view.

  19. Grounding quantum probability in psychological mechanism.

    PubMed

    Love, Bradley C

    2013-06-01

    Pothos & Busemeyer (P&B) provide a compelling case that quantum probability (QP) theory is a better match to human judgment than is classical probability (CP) theory. However, any theory (QP, CP, or other) phrased solely at the computational level runs the risk of being underconstrained. One suggestion is to ground QP accounts in mechanism, to leverage a wide range of process-level data.

  20. Hamiltonian deformations of Gabor frames: First steps

    PubMed Central

    de Gosson, Maurice A.

    2015-01-01

    Gabor frames can advantageously be redefined using the Heisenberg–Weyl operators familiar from harmonic analysis and quantum mechanics. Not only does this redefinition allow us to recover in a very simple way known results of symplectic covariance, but it immediately leads to the consideration of a general deformation scheme by Hamiltonian isotopies (i.e. arbitrary paths of non-linear symplectic mappings passing through the identity). We will study in some detail an associated weak notion of Hamiltonian deformation of Gabor frames, using ideas from semiclassical physics involving coherent states and Gaussian approximations. We will thereafter discuss possible applications and extensions of our method, which can be viewed – as the title suggests – as the very first steps towards a general deformation theory for Gabor frames. PMID:25892903

  1. Hamiltonian deformations of Gabor frames: First steps.

    PubMed

    de Gosson, Maurice A

    2015-03-01

    Gabor frames can advantageously be redefined using the Heisenberg-Weyl operators familiar from harmonic analysis and quantum mechanics. Not only does this redefinition allow us to recover in a very simple way known results of symplectic covariance, but it immediately leads to the consideration of a general deformation scheme by Hamiltonian isotopies (i.e. arbitrary paths of non-linear symplectic mappings passing through the identity). We will study in some detail an associated weak notion of Hamiltonian deformation of Gabor frames, using ideas from semiclassical physics involving coherent states and Gaussian approximations. We will thereafter discuss possible applications and extensions of our method, which can be viewed - as the title suggests - as the very first steps towards a general deformation theory for Gabor frames.

  2. Hunting for Snarks in Quantum Mechanics

    SciTech Connect

    Hestenes, David

    2009-12-08

    A long-standing debate over the interpretation of quantum mechanics has centered on the meaning of Schroedinger's wave function {psi} for an electron. Broadly speaking, there are two major opposing schools. On the one side, the Copenhagen school(led by Bohr, Heisenberg and Pauli) holds that {psi} provides a complete description of a single electron state; hence the probability interpretation of {psi}{psi}* expresses an irreducible uncertainty in electron behavior that is intrinsic in nature. On the other side, the realist school(led by Einstein, de Broglie, Bohm and Jaynes) holds that {psi} represents a statistical ensemble of possible electron states; hence it is an incomplete description of a single electron state. I contend that the debaters have overlooked crucial facts about the electron revealed by Dirac theory. In particular, analysis of electron zitterbewegung(first noticed by Schroedinger) opens a window to particle substructure in quantum mechanics that explains the physical significance of the complex phase factor in {psi}. This led to a testable model for particle substructure with surprising support by recent experimental evidence. If the explanation is upheld by further research, it will resolve the debate in favor of the realist school. I give details. The perils of research on the foundations of quantum mechanics have been foreseen by Lewis Carroll in The Hunting of the Snark{exclamation_point}.

  3. The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the reaction path Hamiltonian

    SciTech Connect

    Mastromatteo, Michael; Jackson, Bret

    2013-11-21

    Electronic structure methods based on density functional theory are used to construct a reaction path Hamiltonian for CH{sub 4} dissociation on the Ni(100) and Ni(111) surfaces. Both quantum and quasi-classical trajectory approaches are used to compute dissociative sticking probabilities, including all molecular degrees of freedom and the effects of lattice motion. Both approaches show a large enhancement in sticking when the incident molecule is vibrationally excited, and both can reproduce the mode specificity observed in experiments. However, the quasi-classical calculations significantly overestimate the ground state dissociative sticking at all energies, and the magnitude of the enhancement in sticking with vibrational excitation is much smaller than that computed using the quantum approach or observed in the experiments. The origin of this behavior is an unphysical flow of zero point energy from the nine normal vibrational modes into the reaction coordinate, giving large values for reaction at energies below the activation energy. Perturbative assumptions made in the quantum studies are shown to be accurate at all energies studied.

  4. Classical and quantum-mechanical state reconstruction

    NASA Astrophysics Data System (ADS)

    Khanna, F. C.; Mello, P. A.; Revzen, M.

    2012-07-01

    The aim of this paper is to present the subject of state reconstruction in classical and in quantum physics, a subject that deals with the experimentally acquired information that allows the determination of the physical state of a system. Our first purpose is to explain a method for retrieving a classical state in phase space, similar to that used in medical imaging known as computer-aided tomography. It is remarkable that this method can be taken over to quantum mechanics, where it leads to a description of the quantum state in terms of the Wigner function which, although it may take on negative values, plays the role of the probability density in phase space in classical physics. We then present another approach to quantum state reconstruction based on the notion of mutually unbiased bases—a notion of current research interest, for which we give explanatory remarks—and indicate the relation between these two approaches. Since the subject of state reconstruction is rarely considered at the level of textbooks, the presentation in this paper is aimed at graduate-level readers.

  5. Simulating highly nonlocal Hamiltonians with less nonlocal Hamiltonians

    NASA Astrophysics Data System (ADS)

    Subasi, Yigit; Jarzynski, Christopher

    The need for Hamiltonians with many-body interactions arises in various applications of quantum computing. However, interactions beyond two-body are difficult to realize experimentally. Perturbative gadgets were introduced to obtain arbitrary many-body effective interactions using Hamiltonians with two-body interactions only. Although valid for arbitrary k-body interactions, their use is limited to small k because the strength of interaction is k'th order in perturbation theory. Here we develop a nonperturbative technique for obtaining effective k-body interactions using Hamiltonians consisting of at most l-body interactions with l < k . This technique works best for Hamiltonians with a few interactions with very large k and can be used together with perturbative gadgets to embed Hamiltonians of considerable complexity in proper subspaces of two-local Hamiltonians. We describe how our technique can be implemented in a hybrid (gate-based and adiabatic) as well as solely adiabatic quantum computing scheme. We gratefully acknowledge financial support from the Lockheed Martin Corporation under Contract U12001C.

  6. Unitary cocycle representations of the Galilean line group: Quantum mechanical principle of equivalence

    NASA Astrophysics Data System (ADS)

    MacGregor, B. R.; McCoy, A. E.; Wickramasekara, S.

    2012-09-01

    We present a formalism of Galilean quantum mechanics in non-inertial reference frames and discuss its implications for the equivalence principle. This extension of quantum mechanics rests on the Galilean line group, the semidirect product of the real line and the group of analytic functions from the real line to the Euclidean group in three dimensions. This group provides transformations between all inertial and non-inertial reference frames and contains the Galilei group as a subgroup. We construct a certain class of unitary representations of the Galilean line group and show that these representations determine the structure of quantum mechanics in non-inertial reference frames. Our representations of the Galilean line group contain the usual unitary projective representations of the Galilei group, but have a more intricate cocycle structure. The transformation formula for the Hamiltonian under the Galilean line group shows that in a non-inertial reference frame it acquires a fictitious potential energy term that is proportional to the inertial mass, suggesting the equivalence of inertial mass and gravitational mass in quantum mechanics.

  7. The rovibrational Hamiltonian for ammonia-like molecules.

    PubMed

    Makarewicz, Jan; Skalozub, Alexander

    2002-03-01

    A new exact quantum mechanical rovibrational Hamiltonian operator for ammonia-like molecules is derived. The Hamiltonian is constructed in a molecular system of axes, such that its z' axis makes a trisection of the pyramidal angle formed by three bond vectors with the vertex on the central atom. The introduced set of the internal rovibrational coordinates is adapted to facilitate a convenient description of the inversion motion. These internal coordinates and the molecular axis system have a remarkable property, namely, the internal vibrational angular momentum of the molecule equals zero. This property significantly reduces the Coriolis coupling and simplifies the form of the Hamiltonian. The correctness of this Hamiltonian is proved by a numerical procedure. The orthogonal Radau vectors allowing us to define a similar molecular axis system and the internal coordinates are considered. The Hamiltonian for the Radau parameterization takes a form simple enough to carry out effectively variational calculations of the molecular rovibrational states. Under the appropriate choice of the variational basis functions, the Hamiltonian matrix elements are fully factorizable and do not have any singularities. A convenient method of symmetrization of the basis functions is proposed.

  8. Quantum mechanics with coordinate dependent noncommutativity

    NASA Astrophysics Data System (ADS)

    Kupriyanov, V. G.

    2013-11-01

    Noncommutative quantum mechanics can be considered as a first step in the construction of quantum field theory on noncommutative spaces of generic form, when the commutator between coordinates is a function of these coordinates. In this paper we discuss the mathematical framework of such a theory. The noncommutativity is treated as an external antisymmetric field satisfying the Jacobi identity. First, we propose a symplectic realization of a given Poisson manifold and construct the Darboux coordinates on the obtained symplectic manifold. Then we define the star product on a Poisson manifold and obtain the expression for the trace functional. The above ingredients are used to formulate a nonrelativistic quantum mechanics on noncommutative spaces of general form. All considered constructions are obtained as a formal series in the parameter of noncommutativity. In particular, the complete algebra of commutation relations between coordinates and conjugated momenta is a deformation of the standard Heisenberg algebra. As examples we consider a free particle and an isotropic harmonic oscillator on the rotational invariant noncommutative space.

  9. Bohmian Mechanics In A Macroscopic Quantum System

    NASA Astrophysics Data System (ADS)

    Haven, Emmanuel

    2006-01-01

    In the so called `causal' interpretation of quantum mechanics, an electron is considered as a particle and such particle is influenced not only by a classical but also by a so called quantum potential. This idea was developed by Professor Bohm in an important paper. In this paper we use some of the basics of this interpretation in a financial option pricing environment. The causal interpretation allows for trajectories. Path breaking work by Professors Bohm and Hiley and Khrennikov and Choustova have made that the causal interpretation is a step closer to potential applications in social science. In this paper we consider the wave function as a wave of information. We consider the gradient of the phase of this wave function and show how the option price could be influenced by this gradient.

  10. Indirect Acquisition of Information in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Ballesteros, M.; Fraas, M.; Fröhlich, J.; Schubnel, B.

    2016-02-01

    Long sequences of successive direct (projective) measurements or observations of just a few "uninteresting" physical quantities pertaining to a quantum system, such as clicks of some detectors, may reveal indirect, but precise and unambiguous information on the values of some very "interesting" observables of the system. In this paper, the mathematics underlying this claim is developed; i.e., we attempt to contribute to a mathematical theory of indirect and, in particular, non-demolition observations and measurements in quantum mechanics. Our attempt leads us to make some novel uses of classical notions and results of probability theory, such as the "algebra of functions measurable at infinity", the Central Limit Theorem, results concerning relative entropy and its role in the theory of large deviations, etc.

  11. Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Angraini, Lily Maysari; Suparmi, Variani, Viska Inda

    2010-12-01

    SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

  12. Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

    SciTech Connect

    Angraini, Lily Maysari; Suparmi,; Variani, Viska Inda

    2010-12-23

    SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.

  13. A fully 3D atomistic quantum mechanical study on random dopant induced effects in 25nm MOSFETs

    SciTech Connect

    Wang, Lin-Wang; Jiang, Xiang-Wei; Deng, Hui-Xiong; Luo, Jun-Wei; Li, Shu-Shen; Wang, Lin-Wang; Xia, Jian-Bai

    2008-07-11

    We present a fully 3D atomistic quantum mechanical simulation for nanometered MOSFET using a coupled Schroedinger equation and Poisson equation approach. Empirical pseudopotential is used to represent the single particle Hamiltonian and linear combination of bulk band (LCBB) method is used to solve the million atom Schroedinger's equation. We studied gate threshold fluctuations and threshold lowering due to the discrete dopant configurations. We compared our results with semiclassical simulation results. We found quantum mechanical effects increase the threshold fluctuation while decreases the threshold lowering. The increase of threshold fluctuation is in agreement with previous study based on approximated density gradient approach to represent the quantum mechanical effect. However, the decrease in threshold lowering is in contrast with the previous density gradient calculations.

  14. Unstable trajectories and the quantum mechanical uncertainty

    SciTech Connect

    Moser, Hans R.

    2008-08-15

    There is still an ongoing discussion about various seemingly contradictory aspects of classical particle motion and its quantum mechanical counterpart. One of the best accepted viewpoints that intend to bridge the gap is the so-called Copenhagen Interpretation. A major issue there is to regard wave functions as probability amplitudes (usually for the position of a particle). However, the literature also reports on approaches that claim a trajectory for any quantum mechanical particle, Bohmian mechanics probably being the most prominent one among these ideas. We introduce a way to calculate trajectories as well, but our crucial ingredient is their well controlled local (thus also momentaneous) degree of instability. By construction, at every moment their unpredictability, i.e., their local separation rates of neighboring trajectories, is governed by the local value of the given modulus square of a wave function. We present extensive numerical simulations of the H and He atom, and for some velocity-related quantities, namely angular momentum and total energy, we inspect their agreement with the values appearing in wave mechanics. Further, we interpret the archetypal double slit interference experiment in the spirit of our findings. We also discuss many-particle problems far beyond He, which guides us to a variety of possible applications.

  15. TOPICAL REVIEW: Optimization using quantum mechanics: quantum annealing through adiabatic evolution

    NASA Astrophysics Data System (ADS)

    Santoro, Giuseppe E.; Tosatti, Erio

    2006-09-01

    We review here some recent work in the field of quantum annealing, alias adiabatic quantum computation. The idea of quantum annealing is to perform optimization by a quantum adiabatic evolution which tracks the ground state of a suitable time-dependent Hamiltonian, where 'planck' is slowly switched off. We illustrate several applications of quantum annealing strategies, starting from textbook toy-models—double-well potentials and other one-dimensional examples, with and without disorder. These examples display in a clear way the crucial differences between classical and quantum annealing. We then discuss applications of quantum annealing to challenging hard optimization problems, such as the random Ising model, the travelling salesman problem and Boolean satisfiability problems. The techniques used to implement quantum annealing are either deterministic Schrödinger's evolutions, for the toy models, or path-integral Monte Carlo and Green's function Monte Carlo approaches, for the hard optimization problems. The crucial role played by disorder and the associated non-trivial Landau-Zener tunnelling phenomena is discussed and emphasized.

  16. Unitary cocycle representations of the Galilean line group: Quantum mechanical principle of equivalence

    SciTech Connect

    MacGregor, B.R.; McCoy, A.E.; Wickramasekara, S.

    2012-09-15

    We present a formalism of Galilean quantum mechanics in non-inertial reference frames and discuss its implications for the equivalence principle. This extension of quantum mechanics rests on the Galilean line group, the semidirect product of the real line and the group of analytic functions from the real line to the Euclidean group in three dimensions. This group provides transformations between all inertial and non-inertial reference frames and contains the Galilei group as a subgroup. We construct a certain class of unitary representations of the Galilean line group and show that these representations determine the structure of quantum mechanics in non-inertial reference frames. Our representations of the Galilean line group contain the usual unitary projective representations of the Galilei group, but have a more intricate cocycle structure. The transformation formula for the Hamiltonian under the Galilean line group shows that in a non-inertial reference frame it acquires a fictitious potential energy term that is proportional to the inertial mass, suggesting the equivalence of inertial mass and gravitational mass in quantum mechanics. - Highlights: Black-Right-Pointing-Pointer A formulation of Galilean quantum mechanics in non-inertial reference frames is given. Black-Right-Pointing-Pointer The key concept is the Galilean line group, an infinite dimensional group. Black-Right-Pointing-Pointer Unitary, cocycle representations of the Galilean line group are constructed. Black-Right-Pointing-Pointer A non-central extension of the group underlies these representations. Black-Right-Pointing-Pointer Quantum equivalence principle and gravity emerge from these representations.

  17. Generation of families of spectra in PT-symmetric quantum mechanics and scalar bosonic field theory.

    PubMed

    Schmidt, Steffen; Klevansky, S P

    2013-04-28

    This paper explains the systematics of the generation of families of spectra for the -symmetric quantum-mechanical Hamiltonians H=p(2)+x(2)(ix)(ε), H=p(2)+(x(2))(δ) and H=p(2)-(x(2))(μ). In addition, it contrasts the results obtained with those found for a bosonic scalar field theory, in particular in one dimension, highlighting the similarities to and differences from the quantum-mechanical case. It is shown that the number of families of spectra can be deduced from the number of non-contiguous pairs of Stokes wedges that display PT symmetry. To do so, simple arguments that use the Wentzel-Kramers-Brillouin approximation are used, and these imply that the eigenvalues are real. However, definitive results are in most cases presently only obtainable numerically, and not all eigenvalues in each family may be real. Within the approximations used, it is illustrated that the difference between the quantum-mechanical and the field-theoretical cases lies in the number of accessible regions in which the eigenfunctions decay exponentially. This paper reviews and implements well-known techniques in complex analysis and PT-symmetric quantum theory.

  18. A quantum mechanics-based algorithm for vessel segmentation in retinal images

    NASA Astrophysics Data System (ADS)

    Youssry, Akram; El-Rafei, Ahmed; Elramly, Salwa

    2016-06-01

    Blood vessel segmentation is an important step in retinal image analysis. It is one of the steps required for computer-aided detection of ophthalmic diseases. In this paper, a novel quantum mechanics-based algorithm for retinal vessel segmentation is presented. The algorithm consists of three major steps. The first step is the preprocessing of the images to prepare the images for further processing. The second step is feature extraction where a set of four features is generated at each image pixel. These features are then combined using a nonlinear transformation for dimensionality reduction. The final step is applying a recently proposed quantum mechanics-based framework for image processing. In this step, pixels are mapped to quantum systems that are allowed to evolve from an initial state to a final state governed by Schrödinger's equation. The evolution is controlled by the Hamiltonian operator which is a function of the extracted features at each pixel. A measurement step is consequently performed to determine whether the pixel belongs to vessel or non-vessel classes. Many functional forms of the Hamiltonian are proposed, and the best performing form was selected. The algorithm is tested on the publicly available DRIVE database. The average results for sensitivity, specificity, and accuracy are 80.29, 97.34, and 95.83 %, respectively. These results are compared to some recently published techniques showing the superior performance of the proposed method. Finally, the implementation of the algorithm on a quantum computer and the challenges facing this implementation are introduced.

  19. Quantum mechanics. Mechanically detecting and avoiding the quantum fluctuations of a microwave field.

    PubMed

    Suh, J; Weinstein, A J; Lei, C U; Wollman, E E; Steinke, S K; Meystre, P; Clerk, A A; Schwab, K C

    2014-06-13

    Quantum fluctuations of the light field used for continuous position detection produce stochastic back-action forces and ultimately limit the sensitivity. To overcome this limit, the back-action forces can be avoided by giving up complete knowledge of the motion, and these types of measurements are called "back-action evading" or "quantum nondemolition" detection. We present continuous two-tone back-action evading measurements with a superconducting electromechanical device, realizing three long-standing goals: detection of back-action forces due to the quantum noise of a microwave field, reduction of this quantum back-action noise by 8.5 ± 0.4 decibels (dB), and measurement imprecision of a single quadrature of motion 2.4 ± 0.7 dB below the mechanical zero-point fluctuations. Measurements of this type will find utility in ultrasensitive measurements of weak forces and nonclassical states of motion.

  20. Supersymmetric quantum mechanics and solitons of the sine-Gordon and nonlinear Schrödinger equations.

    PubMed

    Koller, Andrew; Olshanii, Maxim

    2011-12-01

    We present a case demonstrating the connection between supersymmetric quantum mechanics (SUSYQM), reflectionless scattering, and soliton solutions of integrable partial differential equations. We show that the members of a class of reflectionless Hamiltonians, namely, Akulin's Hamiltonians, are connected via supersymmetric chains to a potential-free Hamiltonian, explaining their reflectionless nature. While the reflectionless property in question has been mentioned in the literature for over two decades, the enabling algebraic mechanism was previously unknown. Our results indicate that the multisoliton solutions of the sine-Gordon and nonlinear Schrödinger equations can be systematically generated via the supersymmetric chains connecting Akulin's Hamiltonians. Our findings also explain a well-known but little-understood effect in laser physics: when a two-level atom, initially in the ground state, is subjected to a laser pulse of the form V(t) = (nh/τ)/cosh(t/τ), with n being an integer and τ being the pulse duration, it remains in the ground state after the pulse has been applied, for any choice of the laser detuning.

  1. The metaphysics of quantum mechanics: Modal interpretations

    NASA Astrophysics Data System (ADS)

    Gluck, Stuart Murray

    2004-11-01

    This dissertation begins with the argument that a preferred way of doing metaphysics is through philosophy of physics. An understanding of quantum physics is vital to answering questions such as: What counts as an individual object in physical ontology? Is the universe fundamentally indeterministic? Are indiscernibles identical? This study explores how the various modal interpretations of quantum mechanics answer these sorts of questions; modal accounts are one of the two classes of interpretations along with so-called collapse accounts. This study suggests a new alternative within the class of modal views that yields a more plausible ontology, one in which the Principle of the Identity of Indisceribles is necessarily true. Next, it shows that modal interpretations can consistently deny that the universe must be fundamentally indeterministic so long as they accept certain other metaphysical commitments: either a perfect initial distribution of states in the universe or some form of primitive dispositional properties. Finally, the study sketches out a future research project for modal interpretations based on developing quantified quantum logic.

  2. The Simpson's paradox in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Selvitella, Alessandro

    2017-03-01

    In probability and statistics, the Simpson's paradox is a paradox in which a trend that appears in different groups of data disappears when these groups are combined, while the reverse trend appears for the aggregate data. In this paper, we give some results about the occurrence of the Simpson's paradox in quantum mechanics. In particular, we prove that the Simpson's paradox occurs for solutions of the quantum harmonic oscillator both in the stationary case and in the non-stationary case. In the non-stationary case, the Simpson's paradox is persistent: if it occurs at any time t =t ˜ , then it occurs at any time t ≠t ˜ . Moreover, we prove that the Simpson's paradox is not an isolated phenomenon, namely, that, close to initial data for which it occurs, there are lots of initial data (a open neighborhood), for which it still occurs. Differently from the case of the quantum harmonic oscillator, we also prove that the paradox appears (asymptotically) in the context of the nonlinear Schrödinger equation but at intermittent times.

  3. BiHermitian supersymmetric quantum mechanics

    NASA Astrophysics Data System (ADS)

    Zucchini, Roberto

    2007-04-01

    BiHermitian geometry, discovered long ago by Gates, Hull and Rocek, is the most general sigma model target space geometry allowing for (2, 2) world sheet supersymmetry. In this paper, we work out supersymmetric quantum mechanics for a biHermitian target space. We display the full supersymmetry of the model and illustrate in detail its quantization procedure. Finally, we show that the quantized model reproduces the Hodge theory for compact twisted generalized Kähler manifolds recently developed by Gualtieri in [33]. This allows us to recover and put in a broader context the results on the biHermitian topological sigma models obtained by Kapustin and Li in [9].

  4. Quantum Mechanical Studies of Molecular Hyperpolarizabilities.

    DTIC Science & Technology

    1980-04-30

    exponent , reflects the screening of an electron in a given orbital by the interior electrons in the atom or molecule. In practice, when studying...Basis sets have evolved over the years in molecular quantum mechanics until sets of orbital exponents for the different atoms composing the molecule have...and R. P. Hurst , J. Chem. Phys. 46, 2356 (1967); S. P. LickmannI and J. W. Moskowitz, J. Chem. Phys. 54, 3622 7T971). 26. T. H. Dunning, J. Chem. Phys

  5. Nonequilibrium quantum mechanics: A "hot quantum soup" of paramagnons

    NASA Astrophysics Data System (ADS)

    Scammell, H. D.; Sushkov, O. P.

    2017-01-01

    Motivated by recent measurements of the lifetime (decay width) of paramagnons in quantum antiferromagnet TlCuCl3, we investigate paramagnon decay in a heat bath and formulate an appropriate quantum theory. Our formulation can be split into two regimes: (i) a nonperturbative, "hot quantum soup" regime where the paramagnon width is comparable to its energy; (ii) a usual perturbative regime where the paramagnon width is significantly lower than its energy. Close to the Neel temperature, the paramagnon width becomes comparable to its energy and falls into the hot quantum soup regime. To describe this regime, we develop a new finite frequency, finite temperature technique for a nonlinear quantum field theory; the "golden rule of quantum kinetics." The formulation is generic and applicable to any three-dimensional quantum antiferromagnet in the vicinity of a quantum critical point. Specifically, we apply our results to TlCuCl3 and find agreement with experimental data. Additionally, we show that logarithmic running of the coupling constant in the upper critical dimension changes the commonly accepted picture of the quantum disordered and quantum critical regimes.

  6. The formal path integral and quantum mechanics

    SciTech Connect

    Johnson-Freyd, Theo

    2010-11-15

    Given an arbitrary Lagrangian function on R{sup d} and a choice of classical path, one can try to define Feynman's path integral supported near the classical path as a formal power series parameterized by 'Feynman diagrams', although these diagrams may diverge. We compute this expansion and show that it is (formally, if there are ultraviolet divergences) invariant under volume-preserving changes of coordinates. We prove that if the ultraviolet divergences cancel at each order, then our formal path integral satisfies a 'Fubini theorem' expressing the standard composition law for the time evolution operator in quantum mechanics. Moreover, we show that when the Lagrangian is inhomogeneous quadratic in velocity such that its homogeneous-quadratic part is given by a matrix with constant determinant, then the divergences cancel at each order. Thus, by 'cutting and pasting' and choosing volume-compatible local coordinates, our construction defines a Feynman-diagrammatic 'formal path integral' for the nonrelativistic quantum mechanics of a charged particle moving in a Riemannian manifold with an external electromagnetic field.

  7. Quantum Mechanical Study of Nanoscale MOSFET

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

    2001-01-01

    The steady state characteristics of MOSFETS that are of practical Interest are the drive current, off-current, dope of drain current versus drain voltage, and threshold voltage. In this section, we show that quantum mechanical simulations yield significantly different results from drift-diffusion based methods. These differences arise because of the following quantum mechanical features: (I) polysilicon gate depletion in a manner opposite to the classical case (II) dependence of the resonant levels in the channel on the gate voltage, (III) tunneling of charge across the gate oxide and from source to drain, (IV) quasi-ballistic flow of electrons. Conclusions dI/dV versus V does not increase in a manner commensurate with the increase in number of subbands. - The increase in dI/dV with bias is much smaller then the increase in the number of subbands - a consequence of bragg reflection. Our calculations show an increase in transmission with length of contact, as seen in experiments. It is desirable for molecular electronics applications to have a small contact area, yet large coupling. In this case, the circumferential dependence of the nanotube wave function dictates: - Transmission in armchair tubes saturates around unity - Transmission in zigzag tubes saturates at two.

  8. Mathematical model I. Electron and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Gadre, Nitin Ramchandra

    2011-03-01

    The basic particle electron obeys various theories like electrodynamics, quantum mechanics and special relativity. Particle under different experimental conditions behaves differently, allowing us to observe different characteristics which become basis for these theories. In this paper, we have made an attempt to suggest a classical picture by studying the requirements of these three modern theories. The basic presumption is: There must be certain structural characteristics in a particle like electron which make it obey postulates of modern theories. As it is `difficult' to find structure of electron experimentally, we make a mathematical attempt. For a classical approach, we require well defined systems and we have studied a system with two charged particles, proton and electron in a hydrogen atom. An attempt has been made to give a model to describe electron as seen by the proton. We then discuss how the model can satisfy the requirements of the three modern theories in a classical manner. The paper discusses basic aspects of relativity and electrodynamics. However the focus of the paper is on quantum mechanics.

  9. Differentiability of correlations in realistic quantum mechanics

    SciTech Connect

    Cabrera, Alejandro; Faria, Edson de; Pujals, Enrique; Tresser, Charles

    2015-09-15

    We prove a version of Bell’s theorem in which the locality assumption is weakened. We start by assuming theoretical quantum mechanics and weak forms of relativistic causality and of realism (essentially the fact that observable values are well defined independently of whether or not they are measured). Under these hypotheses, we show that only one of the correlation functions that can be formulated in the framework of the usual Bell theorem is unknown. We prove that this unknown function must be differentiable at certain angular configuration points that include the origin. We also prove that, if this correlation is assumed to be twice differentiable at the origin, then we arrive at a version of Bell’s theorem. On the one hand, we are showing that any realistic theory of quantum mechanics which incorporates the kinematic aspects of relativity must lead to this type of rough correlation function that is once but not twice differentiable. On the other hand, this study brings us a single degree of differentiability away from a relativistic von Neumann no hidden variables theorem.

  10. 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.

  11. Molecular model with quantum mechanical bonding information.

    PubMed

    Bohórquez, Hugo J; Boyd, Russell J; Matta, Chérif F

    2011-11-17

    The molecular structure can be defined quantum mechanically thanks to the theory of atoms in molecules. Here, we report a new molecular model that reflects quantum mechanical properties of the chemical bonds. This graphical representation of molecules is based on the topology of the electron density at the critical points. The eigenvalues of the Hessian are used for depicting the critical points three-dimensionally. The bond path linking two atoms has a thickness that is proportional to the electron density at the bond critical point. The nuclei are represented according to the experimentally determined atomic radii. The resulting molecular structures are similar to the traditional ball and stick ones, with the difference that in this model each object included in the plot provides topological information about the atoms and bonding interactions. As a result, the character and intensity of any given interatomic interaction can be identified by visual inspection, including the noncovalent ones. Because similar bonding interactions have similar plots, this tool permits the visualization of chemical bond transferability, revealing the presence of functional groups in large molecules.

  12. Quantum mechanical study of solvent effects in a prototype SN2 reaction in solution: Cl- attack on CH3Cl.

    PubMed

    Kuechler, Erich R; York, Darrin M

    2014-02-07

    The nucleophilic attack of a chloride ion on methyl chloride is an important prototype SN2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

  13. Quantum mechanical study of solvent effects in a prototype SN2 reaction in solution: Cl- attack on CH3Cl

    NASA Astrophysics Data System (ADS)

    Kuechler, Erich R.; York, Darrin M.

    2014-02-01

    The nucleophilic attack of a chloride ion on methyl chloride is an important prototype SN2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

  14. Hamiltonian hierarchy and the Hulthén potential

    NASA Astrophysics Data System (ADS)

    Gönül, B.; Özer, O.; Cançelik, Y.; Koçak, M.

    2000-10-01

    We deal with the Hamiltonian hierarchy problem of the Hulthén potential within the frame of the supersymmetric quantum mechanics and find that the associated supersymmetric partner potentials simulate the effect of the centrifugal barrier. Incorporating the supersymmetric solutions and using the first-order perturbation theory we obtain an expression for the energy levels of the Hulthén potential which gives satisfactory values for the non-zero angular momentum states.

  15. When a local Hamiltonian must be frustration-free

    PubMed Central

    Sattath, Or; Morampudi, Siddhardh C.; Laumann, Chris R.; Moessner, Roderich

    2016-01-01

    A broad range of quantum optimization problems can be phrased as the question of whether a specific system has a ground state at zero energy, i.e., whether its Hamiltonian is frustration-free. Frustration-free Hamiltonians, in turn, play a central role for constructing and understanding new phases of matter in quantum many-body physics. Unfortunately, determining whether this is the case is known to be a complexity-theoretically intractable problem. This makes it highly desirable to search for efficient heuristics and algorithms to, at least, partially answer this question. Here we prove a general criterion—a sufficient condition—under which a local Hamiltonian is guaranteed to be frustration-free by lifting Shearer’s theorem from classical probability theory to the quantum world. Remarkably, evaluating this condition proceeds via a fully classical analysis of a hardcore lattice gas at negative fugacity on the Hamiltonian’s interaction graph, which, as a statistical mechanics problem, is of interest in its own right. We concretely apply this criterion to local Hamiltonians on various regular lattices, while bringing to bear the tools of spin glass physics that permit us to obtain new bounds on the satisfiable to unsatisfiable transition in random quantum satisfiability. We are then led to natural conjectures for when such bounds will be tight, as well as to a novel notion of universality for these computer science problems. Besides providing concrete algorithms leading to detailed and quantitative insights, this work underscores the power of marrying classical statistical mechanics with quantum computation and complexity theory. PMID:27199483

  16. When a local Hamiltonian must be frustration-free

    NASA Astrophysics Data System (ADS)

    Sattath, Or; Morampudi, Siddhardh C.; Laumann, Chris R.; Moessner, Roderich

    2016-06-01

    A broad range of quantum optimization problems can be phrased as the question of whether a specific system has a ground state at zero energy, i.e., whether its Hamiltonian is frustration-free. Frustration-free Hamiltonians, in turn, play a central role for constructing and understanding new phases of matter in quantum many-body physics. Unfortunately, determining whether this is the case is known to be a complexity-theoretically intractable problem. This makes it highly desirable to search for efficient heuristics and algorithms to, at least, partially answer this question. Here we prove a general criterion—a sufficient condition—under which a local Hamiltonian is guaranteed to be frustration-free by lifting Shearer’s theorem from classical probability theory to the quantum world. Remarkably, evaluating this condition proceeds via a fully classical analysis of a hardcore lattice gas at negative fugacity on the Hamiltonian’s interaction graph, which, as a statistical mechanics problem, is of interest in its own right. We concretely apply this criterion to local Hamiltonians on various regular lattices, while bringing to bear the tools of spin glass physics that permit us to obtain new bounds on the satisfiable to unsatisfiable transition in random quantum satisfiability. We are then led to natural conjectures for when such bounds will be tight, as well as to a novel notion of universality for these computer science problems. Besides providing concrete algorithms leading to detailed and quantitative insights, this work underscores the power of marrying classical statistical mechanics with quantum computation and complexity theory.

  17. A molecular dynamics study of the conformation of the alanine dipeptide in aqueous solution using a quantum mechanical potential

    NASA Astrophysics Data System (ADS)

    Buesnel, Robert; Hillier, Ian H.; Masters, Andrew J.

    Molecular dynamics simulations of the aqueous solution of alanine dipeptide have been carried out for seven configurations characteristic of important regions of the Ramachandran plot. A hybrid quantum mechanical-molecular mechanical potential was used that describes the solute using the AM1 Hamiltonian and the solvent using the TIP3P model. The importance of differential solute polarization and the preferential stabilization of the extended structures alphaL, alphaR and beta have been identified. The results are compared with experiment and with the predictions of the ab initio polarizable continuum model of solvation.

  18. Student Understanding of Time Dependence in Quantum Mechanics

    ERIC Educational Resources Information Center

    Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.

    2015-01-01

    The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing…

  19. Anyons in quantum mechanics with a minimal length

    NASA Astrophysics Data System (ADS)

    Buisseret, Fabien

    2017-02-01

    The existence of anyons, i.e. quantum states with an arbitrary spin, is a generic feature of standard quantum mechanics in (2 + 1) -dimensional Minkowski spacetime. Here it is shown that relativistic anyons may exist also in quantum theories where a minimal length is present. The interplay between minimal length and arbitrary spin effects are discussed.

  20. Surveying Instructors' Attitudes and Approaches to Teaching Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Siddiqui, Shabnam; Singh, Chandralekha

    2010-10-01

    Understanding instructors' attitudes and approaches to teaching quantum mechanics can be helpful in developing research-based learning tools. Here we discuss the findings from a survey in which 13 instructors reflected on issues related to quantum mechanics teaching. Topics included opinions about the goals of a quantum mechanics course, general challenges in teaching the subject, students' preparation for the course, comparison between their own learning of quantum mechanics vs. how they teach it and the extent to which contemporary topics are incorporated into the syllabus.

  1. Tampering detection system using quantum-mechanical systems

    DOEpatents

    Humble, Travis S [Knoxville, TN; Bennink, Ryan S [Knoxville, TN; Grice, Warren P [Oak Ridge, TN

    2011-12-13

    The use of quantum-mechanically entangled photons for monitoring the integrity of a physical border or a communication link is described. The no-cloning principle of quantum information science is used as protection against an intruder's ability to spoof a sensor receiver using a `classical` intercept-resend attack. Correlated measurement outcomes from polarization-entangled photons are used to protect against quantum intercept-resend attacks, i.e., attacks using quantum teleportation.

  2. Exact and Optimal Quantum Mechanics/Molecular Mechanics Boundaries.

    PubMed

    Sun, Qiming; Chan, Garnet Kin-Lic

    2014-09-09

    Motivated by recent work in density matrix embedding theory, we define exact link orbitals that capture all quantum mechanical (QM) effects across arbitrary quantum mechanics/molecular mechanics (QM/MM) boundaries. Exact link orbitals are rigorously defined from the full QM solution, and their number is equal to the number of orbitals in the primary QM region. Truncating the exact set yields a smaller set of link orbitals optimal with respect to reproducing the primary region density matrix. We use the optimal link orbitals to obtain insight into the limits of QM/MM boundary treatments. We further analyze the popular general hybrid orbital (GHO) QM/MM boundary across a test suite of molecules. We find that GHOs are often good proxies for the most important optimal link orbital, although there is little detailed correlation between the detailed GHO composition and optimal link orbital valence weights. The optimal theory shows that anions and cations cannot be described by a single link orbital. However, expanding to include the second most important optimal link orbital in the boundary recovers an accurate description. The second optimal link orbital takes the chemically intuitive form of a donor or acceptor orbital for charge redistribution, suggesting that optimal link orbitals can be used as interpretative tools for electron transfer. We further find that two optimal link orbitals are also sufficient for boundaries that cut across double bonds. Finally, we suggest how to construct "approximately" optimal link orbitals for practical QM/MM calculations.

  3. Statistical origin of classical mechanics and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Chu, Shu-Yuan

    1993-11-01

    The classical action for interacting strings, obtained by generalizing the time-symmetric electrodynamics of Wheeler and Feynman, is exactly additive. The additivity of the string action suggests a connection between the area of the string world sheets and entropy. We find that the action principle of classical mechanics is the condition that the total entropy of the strings be at an extremum, and the path-integral representation of the quantum density matrix element is an approximation to the partition function of the string theory.

  4. Testing quantum mechanics using third-order correlations

    NASA Astrophysics Data System (ADS)

    Kinsler, Paul

    1996-04-01

    Semiclassical theories similar to stochastic electrodynamics are widely used in optics. The distinguishing feature of such theories is that the quantum uncertainty is represented by random statistical fluctuations. They can successfully predict some quantum-mechanical phenomena; for example, the squeezing of the quantum uncertainty in the parametric oscillator. However, since such theories are not equivalent to quantum mechanics, they will not always be useful. Complex number representations can be used to exactly model the quantum uncertainty, but care has to be taken that approximations do not reduce the description to a hidden variable one. This paper helps show the limitations of ``semiclassical theories,'' and helps show where a true quantum-mechanical treatment needs to be used. Third-order correlations are a test that provides a clear distinction between quantum and hidden variable theories in a way analogous to that provided by the ``all or nothing'' Greenberger-Horne-Zeilinger test of local hidden variable theories.

  5. Harmonizing General Relativity with Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Alfonso-Faus, Antonio

    2007-04-01

    Gravitation is the common underlying texture between General Relativity and Quantum Mechanics. We take gravitation as the link that can make possible the marriage between these two sciences. We use here the duality of Nature for gravitation: A continuous warped space, wave-like, and a discrete quantum gas, particle-like, both coexistent and producing an equilibrium state in the Universe. The result is a static, non expanding, spherical, unlimited and finite Universe, with no cosmological constant and no dark energy. Macht's Principle is reproduced here by the convergence of the two cosmological equations of Einstein. From this a Mass Boom concept is born given by M = t, M the mass of the Universe and t its age. Also a decreasing speed of light is the consequence of the Mass Boom, c = 1/t, which explains the Supernovae Type Ia observations without the need of expansion (nor, of course, accelerated expansion). Our Mass Boom model completely wipes out the problems and paradoxes built in the Big Bang model, like the horizon, monopole, entropy, flatness, fine tuning, etc. It also eliminates the need for inflation.

  6. Dynamical phase transitions in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Rotter, Ingrid

    2012-02-01

    The nucleus is described as an open many-body quantum system with a non-Hermitian Hamilton operator the eigenvalues of which are complex, in general. The eigenvalues may cross in the complex plane (exceptional points), the phases of the eigenfunctions are not rigid in approaching the crossing points and the widths bifurcate. By varying only one parameter, the eigenvalue trajectories usually avoid crossing and width bifurcation occurs at the critical value of avoided crossing. An analog spectroscopic redistribution takes place for discrete states below the particle decay threshold. By this means, a dynamical phase transition occurs in the many-level system starting at a critical value of the level density. Hence the properties of the low-lying nuclear states (described well by the shell model) and those of highly excited nuclear states (described by random ensembles) differ fundamentally from one another. The statement of Niels Bohr on the collective features of compound nucleus states at high level density is therefore not in contradiction to the shell-model description of nuclear (and atomic) states at low level density. Dynamical phase transitions are observed experimentally in different quantum mechanical systems by varying one or two parameters.

  7. Causal localizations in relativistic quantum mechanics

    SciTech Connect

    Castrigiano, Domenico P. L. Leiseifer, Andreas D.

    2015-07-15

    Causal localizations describe the position of quantum systems moving not faster than light. They are constructed for the systems with finite spinor dimension. At the center of interest are the massive relativistic systems. For every positive mass, there is the sequence of Dirac tensor-localizations, which provides a complete set of inequivalent irreducible causal localizations. They obey the principle of special relativity and are fully Poincaré covariant. The boosters are determined by the causal position operator and the other Poincaré generators. The localization with minimal spinor dimension is the Dirac localization. Thus, the Dirac equation is derived here as a mere consequence of the principle of causality. Moreover, the higher tensor-localizations, not known so far, follow from Dirac’s localization by a simple construction. The probability of localization for positive energy states results to be described by causal positive operator valued (PO-) localizations, which are the traces of the causal localizations on the subspaces of positive energy. These causal Poincaré covariant PO-localizations for every irreducible massive relativistic system were, all the more, not known before. They are shown to be separated. Hence, the positive energy systems can be localized within every open region by a suitable preparation as accurately as desired. Finally, the attempt is made to provide an interpretation of the PO-localization operators within the frame of conventional quantum mechanics attributing an important role to the negative energy states.

  8. Causal localizations in relativistic quantum mechanics

    NASA Astrophysics Data System (ADS)

    Castrigiano, Domenico P. L.; Leiseifer, Andreas D.

    2015-07-01

    Causal localizations describe the position of quantum systems moving not faster than light. They are constructed for the systems with finite spinor dimension. At the center of interest are the massive relativistic systems. For every positive mass, there is the sequence of Dirac tensor-localizations, which provides a complete set of inequivalent irreducible causal localizations. They obey the principle of special relativity and are fully Poincaré covariant. The boosters are determined by the causal position operator and the other Poincaré generators. The localization with minimal spinor dimension is the Dirac localization. Thus, the Dirac equation is derived here as a mere consequence of the principle of causality. Moreover, the higher tensor-localizations, not known so far, follow from Dirac's localization by a simple construction. The probability of localization for positive energy states results to be described by causal positive operator valued (PO-) localizations, which are the traces of the causal localizations on the subspaces of positive energy. These causal Poincaré covariant PO-localizations for every irreducible massive relativistic system were, all the more, not known before. They are shown to be separated. Hence, the positive energy systems can be localized within every open region by a suitable preparation as accurately as desired. Finally, the attempt is made to provide an interpretation of the PO-localization operators within the frame of conventional quantum mechanics attributing an important role to the negative energy states.

  9. Extending quantum mechanics entails extending special relativity

    NASA Astrophysics Data System (ADS)

    Aravinda, S.; Srikanth, R.

    2016-05-01

    The complementarity between signaling and randomness in any communicated resource that can simulate singlet statistics is generalized by relaxing the assumption of free will in the choice of measurement settings. We show how to construct an ontological extension for quantum mechanics (QMs) through the oblivious embedding of a sound simulation protocol in a Newtonian spacetime. Minkowski or other intermediate spacetimes are ruled out as the locus of the embedding by virtue of hidden influence inequalities. The complementarity transferred from a simulation to the extension unifies a number of results about quantum non-locality, and implies that special relativity has a different significance for the ontological model and for the operational theory it reproduces. Only the latter, being experimentally accessible, is required to be Lorentz covariant. There may be certain Lorentz non-covariant elements at the ontological level, but they will be inaccessible at the operational level in a valid extension. Certain arguments against the extendability of QM, due to Conway and Kochen (2009) and Colbeck and Renner (2012), are attributed to their assumption that the spacetime at the ontological level has Minkowski causal structure.

  10. The gravity duals of modular Hamiltonians

    NASA Astrophysics Data System (ADS)

    Jafferis, Daniel L.; Suh, S. Josephine

    2016-09-01

    In this work, we investigate modular Hamiltonians defined with respect to arbitrary spatial regions in quantum field theory states which have semi-classical gravity duals. We find prescriptions in the gravity dual for calculating the action of the modular Hamiltonian on its defining state, including its dual metric, and also on small excitations around the state. Curiously, use of the covariant holographic entanglement entropy formula leads us to the conclusion that the modular Hamiltonian, which in the quantum field theory acts only in the causal completion of the region, does not commute with bulk operators whose entire gauge-invariant description is space-like to the causal completion of the region.

  11. Hamiltonian Structure of the Schrödinger Classical Dynamical System

    NASA Astrophysics Data System (ADS)

    Tessarotto, Massimo; Mond, Michael; Batic, Davide

    2016-09-01

    The connection between quantum mechanics and classical statistical mechanics has motivated in the past the representation of the Schrödinger quantum-wave equation in terms of "projections" onto the quantum configuration space of suitable phase-space asymptotic kinetic models. This feature has suggested the search of a possible exact super-dimensional classical dynamical system (CDS), denoted as Schrödinger CDS, which uniquely determines the time-evolution of the underlying quantum state describing a set of N like and mutually interacting quantum particles. In this paper the realization of the same CDS in terms of a coupled set of Hamiltonian systems is established. These are respectively associated with a quantum-hydrodynamic CDS advancing in time the quantum fluid velocity and a further one the RD-CDS, describing the relative dynamics with respect to the quantum fluid.

  12. Are quantum-mechanical-like models possible, or necessary, outside quantum physics?

    NASA Astrophysics Data System (ADS)

    Plotnitsky, Arkady

    2014-12-01

    This article examines some experimental conditions that invite and possibly require recourse to quantum-mechanical-like mathematical models (QMLMs), models based on the key mathematical features of quantum mechanics, in scientific fields outside physics, such as biology, cognitive psychology, or economics. In particular, I consider whether the following two correlative features of quantum phenomena that were decisive for establishing the mathematical formalism of quantum mechanics play similarly important roles in QMLMs elsewhere. The first is the individuality and discreteness of quantum phenomena, and the second is the irreducibly probabilistic nature of our predictions concerning them, coupled to the particular character of the probabilities involved, as different from the character of probabilities found in classical physics. I also argue that these features could be interpreted in terms of a particular form of epistemology that suspends and even precludes a causal and, in the first place, realist description of quantum objects and processes. This epistemology limits the descriptive capacity of quantum theory to the description, classical in nature, of the observed quantum phenomena manifested in measuring instruments. Quantum mechanics itself only provides descriptions, probabilistic in nature, concerning numerical data pertaining to such phenomena, without offering a physical description of quantum objects and processes. While QMLMs share their use of the quantum-mechanical or analogous mathematical formalism, they may differ by the roles, if any, the two features in question play in them and by different ways of interpreting the phenomena they considered and this formalism itself. This article will address those differences as well.

  13. Quantum mechanics of a generalised rigid body

    NASA Astrophysics Data System (ADS)

    Gripaios, Ben; Sutherland, Dave

    2016-05-01

    We consider the quantum version of Arnold’s generalisation of a rigid body in classical mechanics. Thus, we quantise the motion on an arbitrary Lie group manifold of a particle whose classical trajectories correspond to the geodesics of any one-sided-invariant metric. We show how the derivation of the spectrum of energy eigenstates can be simplified by making use of automorphisms of the Lie algebra and (for groups of type I) by methods of harmonic analysis. We show how the method can be extended to cosets, generalising the linear rigid rotor. As examples, we consider all connected and simply connected Lie groups up to dimension 3. This includes the universal cover of the archetypical rigid body, along with a number of new exactly solvable models. We also discuss a possible application to the topical problem of quantising a perfect fluid.

  14. Gauge invariance and reciprocity in quantum mechanics

    SciTech Connect

    Leung, P. T.; Young, K.

    2010-03-15

    Reciprocity in wave propagation usually refers to the symmetry of the Green's function under the interchange of the source and the observer coordinates, but this condition is not gauge invariant in quantum mechanics, a problem that is particularly significant in the presence of a vector potential. Several possible alternative criteria are given and analyzed with reference to different examples with nonzero magnetic fields and/or vector potentials, including the case of a multiply connected spatial domain. It is shown that the appropriate reciprocity criterion allows for specific phase factors separable into functions of the source and observer coordinates and that this condition is robust with respect to the addition of any scalar potential. In the Aharonov-Bohm effect, reciprocity beyond monoenergetic experiments holds only because of subsidiary conditions satisfied in actual experiments: the test charge is in units of e and the flux is produced by a condensate of particles with charge 2e.

  15. Waveform information from quantum mechanical entropy

    NASA Astrophysics Data System (ADS)

    Funkhouser, Scott; Suski, William; Winn, Andrew

    2016-06-01

    Although the entropy of a given signal-type waveform is technically zero, it is nonetheless desirable to use entropic measures to quantify the associated information. Several such prescriptions have been advanced in the literature but none are generally successful. Here, we report that the Fourier-conjugated `total entropy' associated with quantum-mechanical probabilistic amplitude functions (PAFs) is a meaningful measure of information in non-probabilistic real waveforms, with either the waveform itself or its (normalized) analytic representation acting in the role of the PAF. Detailed numerical calculations are presented for both adaptations, showing the expected informatic behaviours in a variety of rudimentary scenarios. Particularly noteworthy are the sensitivity to the degree of randomness in a sequence of pulses and potential for detection of weak signals.

  16. Quantum mechanical calculations to chemical accuracy

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1991-01-01

    The accuracy of current molecular-structure calculations is illustrated with examples of quantum mechanical solutions for chemical problems. Two approaches are considered: (1) the coupled-cluster singles and doubles (CCSD) with a perturbational estimate of the contribution of connected triple excitations, or CCDS(T); and (2) the multireference configuration-interaction (MRCI) approach to the correlation problem. The MRCI approach gains greater applicability by means of size-extensive modifications such as the averaged-coupled pair functional approach. The examples of solutions to chemical problems include those for C-H bond energies, the vibrational frequencies of O3, identifying the ground state of Al2 and Si2, and the Lewis-Rayleigh afterglow and the Hermann IR system of N2. Accurate molecular-wave functions can be derived from a combination of basis-set saturation studies and full configuration-interaction calculations.

  17. 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.

  18. Quantum mechanics of conformally and minimally coupled Friedmann-Robertson-Walker cosmology

    NASA Astrophysics Data System (ADS)

    Kim, Sang Pyo

    1992-10-01

    The expansion method by a time-dependent basis of the eigenfunctions for the space-coordinate-dependent sub-Hamiltonian is one of the most natural frameworks for quantum systems, relativistic as well as nonrelativistic. The complete set of wave functions is found in the product integral formulation, whose constants of integration are fixed by Cauchy initial data. The wave functions for the Friedmann-Robertson-Walker (FRW) cosmology conformally and minimally coupled to a scalar field with a power-law potential or a polynomial potential are expanded in terms of the eigenfunctions of the scalar field sub-Hamiltonian part. The resultant gravitational field part which is an ``intrinsic'' timelike variable-dependent matrix-valued differential equation is solved again in the product integral formulation. There are classically allowed regions for the ``intrinsic'' timelike variable depending on the scalar field quantum numbers and these regions increase accordingly as the quantum numbers increase. For a fixed large three-geometry the wave functions corresponding to the low excited (small quantum number) states of the scalar field are exponentially damped or diverging and the wave functions corresponding to the high excited (large quantum number) states are still oscillatory but become eventually exponential as the three-geometry becomes larger. Furthermore, a proposal is advanced that the wave functions exponentially damped for a large three-geometry may be interpreted as ``tunneling out'' wave functions into, and the wave functions exponentially diverging as ``tunneling in'' from, different universes with the same or different topologies, the former being interpreted as the recently proposed Hawking-Page wormhole wave functions. It is observed that there are complex as well as Euclidean actions depending on the quantum numbers of the scalar field part outside the classically allowed region both of the gravitational and scalar fields, suggesting the usefulness of complex

  19. New methods for quantum mechanical reaction dynamics

    SciTech Connect

    Thompson, Ward Hugh

    1996-12-01

    Quantum mechanical methods are developed to describe the dynamics of bimolecular chemical reactions. We focus on developing approaches for directly calculating the desired quantity of interest. Methods for the calculation of single matrix elements of the scattering matrix (S-matrix) and initial state-selected reaction probabilities are presented. This is accomplished by the use of absorbing boundary conditions (ABC) to obtain a localized (L2) representation of the outgoing wave scattering Green`s function. This approach enables the efficient calculation of only a single column of the S-matrix with a proportionate savings in effort over the calculation of the entire S-matrix. Applying this method to the calculation of the initial (or final) state-selected reaction probability, a more averaged quantity, requires even less effort than the state-to-state S-matrix elements. It is shown how the same representation of the Green`s function can be effectively applied to the calculation of negative ion photodetachment intensities. Photodetachment spectroscopy of the anion ABC- can be a very useful method for obtaining detailed information about the neutral ABC potential energy surface, particularly if the ABC- geometry is similar to the transition state of the neutral ABC. Total and arrangement-selected photodetachment spectra are calculated for the H3O- system, providing information about the potential energy surface for the OH + H2 reaction when compared with experimental results. Finally, we present methods for the direct calculation of the thermal rate constant from the flux-position and flux-flux correlation functions. The spirit of transition state theory is invoked by concentrating on the short time dynamics in the area around the transition state that determine reactivity. These methods are made efficient by evaluating the required quantum mechanical trace in the basis of eigenstates of the

  20. Categorical quantum mechanics II: Classical-quantum interaction

    NASA Astrophysics Data System (ADS)

    Coecke, Bob; Kissinger, Aleks

    2016-08-01

    This is the second part of a three-part overview, in which we derive the category-theoretic backbone of quantum theory from a process ontology, treating quantum theory as a theory of systems, processes and their interactions. In this part, we focus on classical-quantum interaction. Classical and quantum systems are treated as distinct types, of which the respective behavioral properties are specified in terms of processes and their compositions. In particular, classicality is witnessed by ‘spiders’ which fuse together whenever they connect. We define mixedness and show that pure processes are extremal in the space of all processes, and we define entanglement and show that quantum theory indeed exhibits entanglement. We discuss the classification of tripartite qubit entanglement and show that both the GHZ-state and the W-state come from spider-like families of processes, which differ only in how they behave when they are connected by two or more wires. We define measurements and provide fully comprehensive descriptions of several quantum protocols involving classical data flow. Finally, we give a notion of ‘genuine quantumness’, from which special processes called ‘phase spiders’ arise, and get a first glimpse of quantum nonlocality.

  1. Reverse Causation and the Transactional Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Cramer, John G.

    2006-10-01

    In the first part of the paper we present the transactional interpretation of quantum mechanics, a method of viewing the formalism of quantum mechanics that provides a way of visualizing quantum events and experiments. In the second part, we present an EPR gedankenexperiment that appears to lead to observer-level reverse causation. A transactional analysis of the experiment is presented. It easily accounts for the reported observations but does not reveal any barriers to its modification for reverse causation.

  2. Categorization of Quantum Mechanics Problems by Professors and Students

    ERIC Educational Resources Information Center

    Lin, Shih-Yin; Singh, Chandralekha

    2010-01-01

    We discuss the categorization of 20 quantum mechanics problems by physics professors and undergraduate students from two honours-level quantum mechanics courses. Professors and students were asked to categorize the problems based upon similarity of solution. We also had individual discussions with professors who categorized the problems. Faculty…

  3. Developing and Evaluating Animations for Teaching Quantum Mechanics Concepts

    ERIC Educational Resources Information Center

    Kohnle, Antje; Douglass, Margaret; Edwards, Tom J.; Gillies, Alastair D.; Hooley, Christopher A.; Sinclair, Bruce D.

    2010-01-01

    In this paper, we describe animations and animated visualizations for introductory and intermediate-level quantum mechanics instruction developed at the University of St Andrews. The animations aim to help students build mental representations of quantum mechanics concepts. They focus on known areas of student difficulty and misconceptions by…

  4. Do Free Quantum-Mechanical Wave Packets Always Spread?

    ERIC Educational Resources Information Center

    Klein, James R.

    1980-01-01

    The spreading or shrinking of free three-dimensional quantum-mechanical wave packets is addressed. A seeming paradox concerning the time evolution operator and nonspreading wave packets is discussed, and the necessity of taking into account the appropriate mathematical structure of quantum mechanics is emphasized. Teaching implications are given.…

  5. Design and Validation of the Quantum Mechanics Conceptual Survey

    ERIC Educational Resources Information Center

    McKagan, S. B.; Perkins, K. K.; Wieman, C. E.

    2010-01-01

    The Quantum Mechanics Conceptual Survey (QMCS) is a 12-question survey of students' conceptual understanding of quantum mechanics. It is intended to be used to measure the relative effectiveness of different instructional methods in modern physics courses. In this paper, we describe the design and validation of the survey, a process that included…

  6. In Defense of a Heuristic Interpretation of Quantum Mechanics

    ERIC Educational Resources Information Center

    Healy, Eamonn F.

    2010-01-01

    Although the presentation of quantum mechanics found in traditional textbooks is intellectually well founded, it suffers from a number of deficiencies. Specifically introducing quantum mechanics as a solution to the arcane dilemma, the ultraviolet catastrophe, does little to impress a nonscientific audience of the tremendous paradigmatic shift…

  7. Students' Conceptual Difficulties in Quantum Mechanics: Potential Well Problems

    ERIC Educational Resources Information Center

    Ozcan, Ozgur; Didis, Nilufer; Tasar, Mehmet Fatih

    2009-01-01

    In this study, students' conceptual difficulties about some basic concepts in quantum mechanics like one-dimensional potential well problems and probability density of tunneling particles were identified. For this aim, a multiple choice instrument named Quantum Mechanics Conceptual Test has been developed by one of the researchers of this study…

  8. Quantum Mechanics from Periodic Dynamics: the bosonic case

    SciTech Connect

    Dolce, Donatello

    2010-05-04

    Enforcing the periodicity hypothesis of the 'old' formulation of Quantum Mechanics we show the possibility for a new scenario where Special Relativity and Quantum Mechanics are unified in a deterministic field theory. A novel interpretation of the AdS/CFT conjecture is discussed.

  9. An Infinite Order Discrete Variable Representation of an Effective Mass Hamiltonian: Application to Exciton Wave Functions in Quantum Confined Nanostructures.

    PubMed

    Kaledin, Alexey L; Lian, Tianquan; Hill, Craig L; Musaev, Djamaladdin G

    2014-08-12

    We describe an extension of the conventional Fourier grid discrete variable representation (DVR) to the bound state problem of a particle with a position-dependent mass. An infinite order DVR, derived for a variable mass kinetic energy operator, coupled with an efficient grid contraction scheme yields essentially exact eigenvalues for a chosen grid spacing. Implementation of the method is shown to be very practical due to the fact that in a DVR no integral evaluation is necessary and that the resultant kinetic energy matrix is sparse. Numerical calculations are presented for exciton states of spherical, cylindrical, and toric Type I (CdSe/ZnS) core-shell quantum dots. In these examples, electron-hole interaction is treated explicitly by solving a self-consistent Schrödinger-Poisson equation on a contracted DVR grid. Prospective applications of the developed approach to calculating electron transfer rates between adsorbed molecular acceptors and quantum confined nanocrystals of generic shape, dimensionality, and composition are also discussed.

  10. A snapshot of foundational attitudes toward quantum mechanics

    NASA Astrophysics Data System (ADS)

    Schlosshauer, Maximilian; Kofler, Johannes; Zeilinger, Anton

    2013-08-01

    Foundational investigations in quantum mechanics, both experimental and theoretical, gave birth to the field of quantum information science. Nevertheless, the foundations of quantum mechanics themselves remain hotly debated in the scientific community, and no consensus on essential questions has been reached. Here, we present the results of a poll carried out among 33 participants of a conference on the foundations of quantum mechanics. The participants completed a questionnaire containing 16 multiple-choice questions probing opinions on quantum-foundational issues. Participants included physicists, philosophers, and mathematicians. We describe our findings, identify commonly held views, and determine strong, medium, and weak correlations between the answers. Our study provides a unique snapshot of current views in the field of quantum foundations, as well as an analysis of the relationships between these views.

  11. Chirality, quantum mechanics, and biological determinism

    NASA Astrophysics Data System (ADS)

    Davies, P. C. W.

    2006-08-01

    life with biochemical make-up resembling that of known life. Whilst the experimental search for a second sample of life - possibly by detecting a chiral "anomaly" - continues, some theoretical investigations may be pursued to narrow down the options. Chiral determinism would be an intrinsically quantum process. There are hints that quantum mechanics plays a key role in biology, but the claim remains contentious. Here I review some of the evidence for quantum aspects of biology. I also summarize some proposals for testing biological determinism by seeking evidence for a multiple genesis events on Earth, and for identifying extant "alien microbes" - micro-organisms descended from an independent origin from familiar life.

  12. Generalized James' effective Hamiltonian method

    NASA Astrophysics Data System (ADS)

    Shao, Wenjun; Wu, Chunfeng; Feng, Xun-Li

    2017-03-01

    James' effective Hamiltonian method has been extensively adopted to investigate largely detuned interacting quantum systems. This method only corresponds to the second-order perturbation theory and cannot be exploited to treat problems which should be solved by using the third- or higher-order perturbation theory. In this paper, we generalize James' effective Hamiltonian method to the higher-order case. Using the method developed here, we reexamine two recently published examples [L. Garziano et al., Phys. Rev. Lett. 117, 043601 (2016), 10.1103/PhysRevLett.117.043601; Ken K. W. Ma and C. K. Law, Phys. Rev. A 92, 023842 (2015), 10.1103/PhysRevA.92.023842]; our results turn out to be the same as the original ones derived from the third-order perturbation theory and adiabatic elimination method, respectively. For some specific problems, this method can simplify the calculating procedure and the resultant effective Hamiltonian is more general.

  13. Hermitian Hamiltonian equivalent to a given non-Hermitian one: manifestation of spectral singularity.

    PubMed

    Samsonov, Boris F

    2013-04-28

    One of the simplest non-Hermitian Hamiltonians, first proposed by Schwartz in 1960, that may possess a spectral singularity is analysed from the point of view of the non-Hermitian generalization of quantum mechanics. It is shown that the η operator, being a second-order differential operator, has supersymmetric structure. Asymptotic behaviour of the eigenfunctions of a Hermitian Hamiltonian equivalent to the given non-Hermitian one is found. As a result, the corresponding scattering matrix and cross section are given explicitly. It is demonstrated that the possible presence of a spectral singularity in the spectrum of the non-Hermitian Hamiltonian may be detected as a resonance in the scattering cross section of its Hermitian counterpart. Nevertheless, just at the singular point, the equivalent Hermitian Hamiltonian becomes undetermined.

  14. Nonsupersymmetric strong coupling background from the large N quantum mechanics of two matrices coupled via a Yang-Mills interaction

    SciTech Connect

    Rodrigues, Joao P.; Zaidi, Alia

    2010-10-15

    We derive a planar sector of the large N nonsupersymmetric background of the quantum mechanical Hamiltonian of two Hermitian matrices coupled via a Yang-Mills interaction, in terms of the density of eigenvalues of one of the matrices. This background satisfies an implicit nonlinear integral equation, with a perturbative small coupling expansion and a solvable large coupling solution, which is obtained. The energy of system and the expectation value of several correlators are obtained in this strong coupling limit. They are free of infrared divergences.

  15. Classical Hamiltonian structures in wave packet dynamics

    NASA Astrophysics Data System (ADS)

    Gray, Stephen K.; Verosky, John M.

    1994-04-01

    The general, N state matrix representation of the time-dependent Schrödinger equation is equivalent to an N degree of freedom classical Hamiltonian system. We describe how classical mechanical methods and ideas can be applied towards understanding and modeling exact quantum dynamics. Two applications are presented. First, we illustrate how qualitative insights may be gained by treating the two state problem with a time-dependent coupling. In the case of periodic coupling, Poincaré surfaces of section are used to view the quantum dynamics, and features such as the Floquet modes take on interesting interpretations. The second application illustrates computational implications by showing how Liouville's theorem, or more generally the symplectic nature of classical Hamiltonian dynamics, provides a new perspective for carrying out numerical wave packet propagation. We show how certain simple and explicit symplectic integrators can be used to numerically propagate wave packets. The approach is illustrated with an application to the problem of a diatomic molecule interacting with a laser, although it and related approaches may be useful for describing a variety of problems.

  16. Statistical mechanics of quantum-classical systems with holonomic constraints.

    PubMed

    Sergi, Alessandro

    2006-01-14

    The statistical mechanics of quantum-classical systems with holonomic constraints is formulated rigorously by unifying the classical Dirac bracket and the quantum-classical bracket in matrix form. The resulting Dirac quantum-classical theory, which conserves the holonomic constraints exactly, is then used to formulate time evolution and statistical mechanics. The correct momentum-jump approximation for constrained systems arises naturally from this formalism. Finally, in analogy with what was found in the classical case, it is shown that the rigorous linear-response function of constrained quantum-classical systems contains nontrivial additional terms which are absent in the response of unconstrained systems.

  17. Construction of traveling clusters in the Hamiltonian mean-field model by nonequilibrium statistical mechanics and Bernstein-Greene-Kruskal waves.

    PubMed

    Yamaguchi, Yoshiyuki Y

    2011-07-01

    Traveling clusters are ubiquitously observed in the Hamiltonian mean-field model for a wide class of initial states, which are not predicted to become spatially inhomogeneous states by nonequilibrium statistical mechanics and by nonlinear Landau damping. To predict such a cluster state from a given initial state, we combine nonequilibrium statistical mechanics and a construction method of Bernstein-Greene-Kruskal (BGK) waves with the aid of phenomenological assumptions. The phenomenological theory is partially successful, and the theoretically constructed cluster states are in good agreement with N-body simulations. Robustness of the theory is also discussed for unsuccessful initial states.

  18. High-efficiency quantum state transfer and quantum memory using a mechanical oscillator

    NASA Astrophysics Data System (ADS)

    Sete, Eyob A.; Eleuch, H.

    2015-03-01

    We analyze an optomechanical system that can be used to efficiently transfer a quantum state between an optical cavity and a distant mechanical oscillator coupled to a second optical cavity. We show that for a moderate mechanical Q factor it is possible to achieve a transfer efficiency of 99.4 % by using adjustable cavity damping rates and destructive interference. We also show that the quantum mechanical oscillator can be used as a quantum memory device with an efficiency of 96 % employing a pulsed optomechanical coupling. Although the mechanical dissipation slightly decreases the efficiency, its effect can be significantly reduced by designing a high-Q mechanical oscillator.

  19. Properties of the Katugampola fractional derivative with potential application in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Anderson, Douglas R.; Ulness, Darin J.

    2015-06-01

    Katugampola [e-print arXiv:1410.6535] recently introduced a limit based fractional derivative, Dα (referred to in this work as the Katugampola fractional derivative) that maintains many of the familiar properties of standard derivatives such as the product, quotient, and chain rules. Typically, fractional derivatives are handled using an integral representation and, as such, are non-local in character. The current work starts with a key property of the Katugampola fractional derivative, D α [ y ] = t 1 - α /d y d t , and the associated differential operator, Dα = t1-αD1. These operators, their inverses, commutators, anti-commutators, and several important differential equations are studied. The anti-commutator serves as a basis for the development of a self-adjoint operator which could potentially be useful in quantum mechanics. A Hamiltonian is constructed from this operator and applied to the particle in a box model.

  20. Natural star-products on symplectic manifolds and related quantum mechanical operators

    SciTech Connect

    Błaszak, Maciej Domański, Ziemowit

    2014-05-15

    In this paper is considered a problem of defining natural star-products on symplectic manifolds, admissible for quantization of classical Hamiltonian systems. First, a construction of a star-product on a cotangent bundle to an Euclidean configuration space is given with the use of a sequence of pair-wise commuting vector fields. The connection with a covariant representation of such a star-product is also presented. Then, an extension of the construction to symplectic manifolds over flat and non-flat pseudo-Riemannian configuration spaces is discussed. Finally, a coordinate free construction of related quantum mechanical operators from Hilbert space over respective configuration space is presented. -- Highlights: •Invariant representations of natural star-products on symplectic manifolds are considered. •Star-products induced by flat and non-flat connections are investigated. •Operator representations in Hilbert space of considered star-algebras are constructed.

  1. Quantum mechanical treatment of traveling light in an absorptive medium of two-level systems

    NASA Astrophysics Data System (ADS)

    Inoue, K.

    2016-12-01

    Quantum mechanical treatment of a light wave that propagates through an absorptive medium is presented. Unlike a phenomenological beam-splitter model conventionally employed to describe a traveling light in a lossy medium, the time evolution of the field operator is derived using the Heisenberg equation with the Hamiltonian for a physical system, where the light wave interacts with an ensemble of two-level systems in a medium. Using the obtained time-evolved field operators, the mean values and variances of the light amplitude and the photon number are evaluated. The results are in agreement with those obtained in the beam-splitter model, giving a logical theoretical basis for the phenomenological beam-splitter model.

  2. Resonances of quantum mechanical scattering systems and Lax-Phillips scattering theory

    NASA Astrophysics Data System (ADS)

    Baumgärtel, Hellmut

    2010-11-01

    For selected classes of quantum mechanical scattering systems a canonical association of a decay semigroup is presented. The spectrum of the generator of this semigroup is a pure eigenvalue spectrum and it coincides with the set of all resonances. The essential condition for the results is the meromorphic continuability of the scattering matrix onto {C}setminus (-infty,0] and the rims {R}-± i0. Further finite multiplicity is assumed. The approach is based on an adaption of the Lax-Phillips scattering theory to semibounded Hamiltonians. It is applied to trace class perturbations with analyticity conditions. A further example is the potential scattering for central-symmetric potentials with compact support and angular momentum 0.

  3. Quantum mechanical model for J / ψ suppression in the LHC era

    NASA Astrophysics Data System (ADS)

    Peña, C.; Blaschke, D.

    2014-07-01

    We discuss the interplay of screening, absorption and regeneration effects, on the quantum mechanical evolution of quarkonia states, within a time-dependent harmonic oscillator (THO) model with complex oscillator strength. We compare the results with data for RAA /RAA (CNM) from CERN and RHIC experiments. In the absence of a measurement of cold nuclear matter (CNM) effects at LHC we estimate their role and interpret the recent data from the ALICE experiment. We also discuss the temperature dependence of the real and imaginary parts of the oscillator frequency which stand for screening and absorption/regeneration, respectively. We point out that a structure in the J / ψ suppression pattern for In-In collisions at SPS is possibly related to the recently found X (3872) state in the charmonium spectrum. Theoretical support for this hypothesis comes from the cluster expansion of the plasma Hamiltonian for heavy quarkonia in a strongly correlated medium.

  4. Calendar effects in quantum mechanics in view of interactive holography

    NASA Astrophysics Data System (ADS)

    Berkovich, Simon

    2013-04-01

    Quantum mechanics in terms of interactive holography appears as `normal' science [1]. With the holography quantum behavior is determined by the interplay of material formations and their conjugate images. To begin with, this effortlessly elucidates the nonlocality in quantum entanglements. Then, it has been shown that Schr"odinger's dynamics for a single particle arises from Bi-Fragmental random walks of the particle itself and its holographic image. For many particles this picture blurs with fragments merging as bosons or fermions. In biomolecules, swapping of particles and their holographic placeholders leads to self-replication of the living matter. Because of broad interpretations of quantum formalism direct experiments attributing it to holography may not be very compelling. The holographic mechanism better reveals as an absolute frame of reference. A number of physical and biological events exhibit annual variations when Earth orbital position changes with respect to the universal holographic mechanism. The well established calendar variations of heart attacks can be regarded as a positive outcome of a generalization of the Michelson experiment, where holography is interferometry and ailing hearts are detectors of pathologically replicated proteins. Also, there have been already observed calendar changes in radioactive decay rates. The same could be expected for various fine quantum experiences, like, e.g., Josephson tunneling. In other words, Quantum Mechanics (February) Quantum Mechanics (August). [1] S. Berkovich, ``A comprehensive explanation of quantum mechanics,'' www.cs.gwu.edu/research/technical-report/170 .

  5. Review of student difficulties in upper-level quantum mechanics

    NASA Astrophysics Data System (ADS)

    Singh, Chandralekha; Marshman, Emily

    2015-12-01

    [This paper is part of the Focused Collection on Upper Division Physics Courses.] Learning advanced physics, in general, is challenging not only due to the increased mathematical sophistication but also because one must continue to build on all of the prior knowledge acquired at the introductory and intermediate levels. In addition, learning quantum mechanics can be especially challenging because the paradigms of classical mechanics and quantum mechanics are very different. Here, we review research on student reasoning difficulties in learning upper-level quantum mechanics and research on students' problem-solving and metacognitive skills in these courses. Some of these studies were multiuniversity investigations. The investigations suggest that there is large diversity in student performance in upper-level quantum mechanics regardless of the university, textbook, or instructor, and many students in these courses have not acquired a functional understanding of the fundamental concepts. The nature of reasoning difficulties in learning quantum mechanics is analogous to reasoning difficulties found via research in introductory physics courses. The reasoning difficulties were often due to overgeneralizations of concepts learned in one context to another context where they are not directly applicable. Reasoning difficulties in distinguishing between closely related concepts and in making sense of the formalism of quantum mechanics were common. We conclude with a brief summary of the research-based approaches that take advantage of research on student difficulties in order to improve teaching and learning of quantum mechanics.

  6. Quantum simulation of classical thermal states.

    PubMed

    Dür, W; Van den Nest, M

    2011-10-21

    We establish a connection between ground states of local quantum Hamiltonians and thermal states of classical spin systems. For any discrete classical statistical mechanical model in any spatial dimension, we find an associated quantum state such that the reduced density operator behaves as the thermal state of the classical system. We show that all these quantum states are unique ground states of a universal 5-body local quantum Hamiltonian acting on a (polynomially enlarged) qubit system on a 2D lattice. The only free parameters of the quantum Hamiltonian are coupling strengths of two-body interactions, which allow one to choose the type and dimension of the classical model as well as the interaction strength and temperature. This opens the possibility to study and simulate classical spin models in arbitrary dimension using a 2D quantum system.

  7. Observation and superselection in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Landsman, N. P.

    We attempt to clarify the main conceptual issues in approaches to 'objectification' or 'measurement' in quantum mechanics which are based on superselection rules. Such approaches venture to derive the emergence of classical 'reality' relative to a class of observers; those believing that the classical world exists intrinsically and absolutely are advised against reading this paper. The prototype approach (K. Hepp, Helv. Phys. Acta 45 (1972), 237-248) where superselection sectors are assumed in the state space of the apparatus is shown to be untenable. Instead, one should couple system and apparatus to an environment, and postulate superselection rules for the latter. These are motivated by the locality of any observer or other (actual or virtual) monitoring system. In this way 'environmental' solutions to the measurement problem (H.D. Zeh, Found. Phys. 1 (1970), 69-76; W. H. Zurek, Phys. Rev. D26 (1982), 1862-1880 and Progr. Theor. Phys. 89 (1993), 281-312) become consistent and acceptable, too. Points of contact with the modal interpretation are briefly discussed. We propose a minimal value attribution to observables in theories with superselection rules, in which only central observables have properties. In particular, the eigenvector-eigenvalue link is dropped. This is mainly motivated by Ockham's razor.

  8. "Mysticism" in Quantum Mechanics: The Forgotten Controversy

    ERIC Educational Resources Information Center

    Marin, Juan Miguel

    2009-01-01

    This paper argues that a European controversy over a "mystical" hypothesis, one assigning the mind a role to play at the material level of reality, shaped much of the debate over the interpretation of the quantum equations. It traces back the controversy to the past two decades, beginning in the late 1920s--birth of quantum theory--and concluding…

  9. The physical principles of quantum mechanics. A critical review

    NASA Astrophysics Data System (ADS)

    Strocchi, F.

    2012-01-01

    The standard presentation of the principles of quantum mechanics is critically reviewed both from the experimental/operational point and with respect to the request of mathematical consistency and logical economy. A simpler and more physically motivated formulation is discussed. The existence of non commuting observables, which characterizes quantum mechanics with respect to classical mechanics, is related to operationally testable complementarity relations, rather than to uncertainty relations. The drawbacks of Dirac argument for canonical quantization are avoided by a more geometrical approach.

  10. Quantum Hamilton mechanics: Hamilton equations of quantum motion, origin of quantum operators, and proof of quantization axiom

    SciTech Connect

    Yang, C.-D. . E-mail: cdyang@mail.ncku.edu.tw

    2006-12-15

    This paper gives a thorough investigation on formulating and solving quantum problems by extended analytical mechanics that extends canonical variables to complex domain. With this complex extension, we show that quantum mechanics becomes a part of analytical mechanics and hence can be treated integrally with classical mechanics. Complex canonical variables are governed by Hamilton equations of motion, which can be derived naturally from Schroedinger equation. Using complex canonical variables, a formal proof of the quantization axiom p {sup {yields}} p = -ih{nabla}, which is the kernel in constructing quantum-mechanical systems, becomes a one-line corollary of Hamilton mechanics. The derivation of quantum operators from Hamilton mechanics is coordinate independent and thus allows us to derive quantum operators directly under any coordinate system without transforming back to Cartesian coordinates. Besides deriving quantum operators, we also show that the various prominent quantum effects, such as quantization, tunneling, atomic shell structure, Aharonov-Bohm effect, and spin, all have the root in Hamilton mechanics and can be described entirely by Hamilton equations of motion.

  11. Ruling out multi-order interference in quantum mechanics.

    PubMed

    Sinha, Urbasi; Couteau, Christophe; Jennewein, Thomas; Laflamme, Raymond; Weihs, Gregor

    2010-07-23

    Quantum mechanics and gravitation are two pillars of modern physics. Despite their success in describing the physical world around us, they seem to be incompatible theories. There are suggestions that one of these theories must be generalized to achieve unification. For example, Born's rule--one of the axioms of quantum mechanics--could be violated. Born's rule predicts that quantum interference, as shown by a double-slit diffraction experiment, occurs from pairs of paths. A generalized version of quantum mechanics might allow multipath (i.e., higher-order) interference, thus leading to a deviation from the theory. We performed a three-slit experiment with photons and bounded the magnitude of three-path interference to less than 10(-2) of the expected two-path interference, thus ruling out third- and higher-order interference and providing a bound on the accuracy of Born's rule. Our experiment is consistent with the postulate both in semiclassical and quantum regimes.

  12. Robust online Hamiltonian learning

    NASA Astrophysics Data System (ADS)

    Granade, Christopher E.; Ferrie, Christopher; Wiebe, Nathan; Cory, D. G.

    2012-10-01

    In this work we combine two distinct machine learning methodologies, sequential Monte Carlo and Bayesian experimental design, and apply them to the problem of inferring the dynamical parameters of a quantum system. We design the algorithm with practicality in mind by including parameters that control trade-offs between the requirements on computational and experimental resources. The algorithm can be implemented online (during experimental data collection), avoiding the need for storage and post-processing. Most importantly, our algorithm is capable of learning Hamiltonian parameters even when the parameters change from experiment-to-experiment, and also when additional noise processes are present and unknown. The algorithm also numerically estimates the Cramer-Rao lower bound, certifying its own performance.

  13. Bell operator and Gaussian squeezed states in noncommutative quantum mechanics

    NASA Astrophysics Data System (ADS)

    Bastos, Catarina; Bernardini, Alex E.; Bertolami, Orfeu; Dias, Nuno Costa; Prata, João Nuno

    2016-05-01

    We examine putative corrections to the Bell operator due to the noncommutativity in the phase space. Starting from a Gaussian squeezed envelope whose time evolution is driven by commutative (standard quantum mechanics) and noncommutative dynamics, respectively, we conclude that although the time-evolving covariance matrix in the noncommutative case is different from the standard case, the squeezing parameter dominates and there are no noticeable noncommutative corrections to the Bell operator. This indicates that, at least for squeezed states, the privileged states to test Bell correlations, noncommutativity versions of quantum mechanics remain as nonlocal as quantum mechanics itself.

  14. Predicting crystal structure by merging data mining with quantum mechanics.

    PubMed

    Fischer, Christopher C; Tibbetts, Kevin J; Morgan, Dane; Ceder, Gerbrand

    2006-08-01

    Modern methods of quantum mechanics have proved to be effective tools to understand and even predict materials properties. An essential element of the materials design process, relevant to both new materials and the optimization of existing ones, is knowing which crystal structures will form in an alloy system. Crystal structure can only be predicted effectively with quantum mechanics if an algorithm to direct the search through the large space of possible structures is found. We present a new approach to the prediction of structure that rigorously mines correlations embodied within experimental data and uses them to direct quantum mechanical techniques efficiently towards the stable crystal structure of materials.

  15. The actual content of quantum theoretical kinematics and mechanics

    NASA Technical Reports Server (NTRS)

    Heisenberg, W.

    1983-01-01

    First, exact definitions are supplied for the terms: position, velocity, energy, etc. (of the electron, for instance), such that they are valid also in quantum mechanics. Canonically conjugated variables are determined simultaneously only with a characteristic uncertainty. This uncertainty is the intrinsic reason for the occurrence of statistical relations in quantum mechanics. Mathematical formulation is made possible by the Dirac-Jordan theory. Beginning from the basic principles thus obtained, macroscopic processes are understood from the viewpoint of quantum mechanics. Several imaginary experiments are discussed to elucidate the theory.

  16. Quantum mechanics/molecular mechanics restrained electrostatic potential fitting.

    PubMed

    Burger, Steven K; Schofield, Jeremy; Ayers, Paul W

    2013-12-05

    We present a quantum mechanics/molecular mechanics (QM/MM) method to evaluate the partial charges of amino acid residues for use in MM potentials based on their protein environment. For each residue of interest, the nearby residues are included in the QM system while the rest of the protein is treated at the MM level of theory. After a short structural optimization, the partial charges of the central residue are fit to the electrostatic potential using the restrained electrostatic potential (RESP) method. The resulting charges and electrostatic potential account for the individual environment of the residue, although they lack the transferable nature of library partial charges. To evaluate the quality of the QM/MM RESP charges, thermodynamic integration is used to measure the pKa shift of the aspartic acid residues in three different proteins, turkey egg lysozyme, beta-cryptogein, and Thioredoxin. Compared to the AMBER ff99SB library values, the QM/MM RESP charges show better agreement between the calculated and experimental pK(a) values for almost all of the residues considered.

  17. Quantum mechanics of hyperbolic orbits in the Kepler problem

    SciTech Connect

    Rauh, Alexander; Parisi, Juergen

    2011-04-15

    The problem of deriving macroscopic properties from the Hamiltonian of the hydrogen atom is resumed by extending previous results in the literature, which predicted elliptic orbits, into the region of hyperbolic orbits. As a main tool, coherent states of the harmonic oscillator are used which are continued to imaginary frequencies. The Kustaanheimo-Stiefel (KS) map is applied to transform the original configuration space into the product space of four harmonic oscillators with a constraint. The relation derived between real time and oscillator (pseudo) time includes quantum corrections. In the limit ({h_bar}/2{pi}){yields}0, the time-dependent mean values of position and velocity describe the classical motion on a hyperbola and a circular hodograph, respectively. Moreover, the connection between pseudotime and real time comes out in analogy to Kepler's equation for elliptic orbits. The mean-square-root deviations of position and velocity components behave similarly in time to the corresponding ones of a spreading Gaussian wave packet in free space. To check the approximate treatment of the constraint, its contribution to the mean energy is determined with the result that it is negligible except for energy values close to the parabolic orbit with eccentricity equal to 1. It is inevitable to introduce a suitable scalar product in R{sup 4} which makes both the transformed Hamiltonian and the velocity operators Hermitian. An elementary necessary criterion is given for the energy interval where the constraint can be approximated by averaging.

  18. Theoretical research of the spin-Hamiltonian parameters for two rhombic W5+ centers in KTiOPO4 (KTP) crystal through a two-mechanism model

    NASA Astrophysics Data System (ADS)

    Mei, Yang; Chen, Bo-Wei; Wei, Chen-Fu; Zheng, Wen-Chen

    2016-09-01

    The high-order perturbation formulas based on the two-mechanism model are employed to calculate the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) for two approximately rhombic W5+ centers in KTiOPO4 (KTP) crystal. In the model, both the widely-applied crystal-field (CF) mechanism concerning the interactions of CF excited states with the ground state and the generally-neglected charge-transfer (CT) mechanism concerning the interactions of CT excited states with the ground state are included. The calculated results agree with the experimental values, and the signs of constants Ai are suggested. The calculations indicate that (i) for the high valence state dn ions in crystals, the contributions to spin-Hamiltonian parameters should take into account both the CF and CT mechanisms and (ii) the large g-shifts |Δgi | (=|gi-ge |, where ge≈ 2.0023) for W5+ centers in crystals are due to the large spin-orbit parameter of free W5+ ion.

  19. New Potentials for Old: The Darboux Transformation in Quantum Mechanics

    ERIC Educational Resources Information Center

    Williams, Brian Wesley; Celius, Tevye C.

    2008-01-01

    The Darboux transformation in quantum mechanics is reviewed at a basic level. Examples of how this transformation leads to exactly solvable potentials related to the "particle in a box" and the harmonic oscillator are shown in detail. The connection between the Darboux transformation and some modern operator based approaches to quantum mechanics…

  20. Multiscale Quantum Mechanics/Molecular Mechanics Simulations with Neural Networks.

    PubMed

    Shen, Lin; Wu, Jingheng; Yang, Weitao

    2016-10-11

    Molecular dynamics simulation with multiscale quantum mechanics/molecular mechanics (QM/MM) methods is a very powerful tool for understanding the mechanism of chemical and biological processes in solution or enzymes. However, its computational cost can be too high for many biochemical systems because of the large number of ab initio QM calculations. Semiempirical QM/MM simulations have much higher efficiency. Its accuracy can be improved with a correction to reach the ab initio QM/MM level. The computational cost on the ab initio calculation for the correction determines the efficiency. In this paper we developed a neural network method for QM/MM calculation as an extension of the neural-network representation reported by Behler and Parrinello. With this approach, the potential energy of any configuration along the reaction path for a given QM/MM system can be predicted at the ab initio QM/MM level based on the semiempirical QM/MM simulations. We further applied this method to three reactions in water to calculate the free energy changes. The free-energy profile obtained from the semiempirical QM/MM simulation is corrected to the ab initio QM/MM level with the potential energies predicted with the constructed neural network. The results are in excellent accordance with the reference data that are obtained from the ab initio QM/MM molecular dynamics simulation or corrected with direct ab initio QM/MM potential energies. Compared with the correction using direct ab initio QM/MM potential energies, our method shows a speed-up of 1 or 2 orders of magnitude. It demonstrates that the neural network method combined with the semiempirical QM/MM calculation can be an efficient and reliable strategy for chemical reaction simulations.

  1. On Heat in a Quantum Mechanical Process

    NASA Astrophysics Data System (ADS)

    Deesuwan, Tanapat; Anders, Janet

    2013-05-01

    Heat is the portion of energy exchange between systems in thermodynamic process which, unlike work, is always associated with the change of the entropies of the systems. In the context of quantum thermodynamics, heat process is described by an incoherent generalised quantum evolution, which is a map between two quantum states that does not preserve the entropy. Based on an information-theoretic reasoning, we propose that heat involving in a general quantum thermodynamic process can be separated into two types: one that is due to the unital subclass of the evolutions and another one that is due to the others. According to these categories, we show how the former type of heat can be incorporated into Jarzynski equality, resulting in a generalised version of the equality. We also derive a Jarzynski inequality which incorporates all heat into the picture and show that this situation is just equivalent to the presence of Maxwell's demon.

  2. Quantum Mechanics in Biology: Photoexcitations in DNA

    NASA Astrophysics Data System (ADS)

    Bittner, Eric R.; Czader, Arkadiusz

    We consider here the theoretical and quantum chemical description of the photoexcitated states in DNA duplexes. We discuss the motivation and limitations of an exciton model and use this as the starting point for more detailed excited state quantum chemical evaluations. In particular, we focus upon the role of interbase proton transfer between Watson/Crick pairs in localizing an excitation and then quenching it through intersystem crossing and charge transfer.

  3. Researching the spin-Hamiltonian parameters of Cr5+ ions in CaWO4 and CaMoO4 crystals with the two-mechanism model

    NASA Astrophysics Data System (ADS)

    Zhang, Liang; Mei, Yang; Wei, Cheng-Fu; Zheng, Wen-Chen

    2015-11-01

    The high-order perturbation formulas based on the two-mechanism model are adopted to calculate the spin-Hamiltonian parameters (g factors g//, g⊥ and hyperfine structure constants A//, A⊥) of the tetragonal Cr5+ centers in CaWO4 and CaMoO4 crystals. In the model, besides the vastly used crystal-field (CF) mechanism concerning the CF excited states, the generally omitted charge-transfer (CT) mechanism related to CT excited states are taken into account. The calculated results are rationally coincident with the experimental values. The signs of constants A//, A⊥ and the impurity-induced angular distortion of Cr5+ centers in both crystals are suggested from the calculations. The results (including the relative importance of CT mechanism) are discussed.

  4. Why are probabilistic laws governing quantum mechanics and neurobiology?

    NASA Astrophysics Data System (ADS)

    Kröger, Helmut

    2005-08-01

    We address the question: Why are dynamical laws governing in quantum mechanics and in neuroscience of probabilistic nature instead of being deterministic? We discuss some ideas showing that the probabilistic option offers advantages over the deterministic one.

  5. Generalized Weyl-Wigner map and Vey quantum mechanics

    NASA Astrophysics Data System (ADS)

    Dias, Nuno Costa; Prata, João Nuno

    2001-12-01

    The Weyl-Wigner map yields the entire structure of Moyal quantum mechanics directly from the standard operator formulation. The covariant generalization of Moyal theory, also known as Vey quantum mechanics, was presented in the literature many years ago. However, a derivation of the formalism directly from standard operator quantum mechanics, clarifying the relation between the two formulations, is still missing. In this article we present a covariant generalization of the Weyl order prescription and of the Weyl-Wigner map and use them to derive Vey quantum mechanics directly from the standard operator formulation. The procedure displays some interesting features: it yields all the key ingredients and provides a more straightforward interpretation of the Vey theory including a direct implementation of unitary operator transformations as phase space coordinate transformations in the Vey idiom. These features are illustrated through a simple example.

  6. Particles, Waves, and the Interpretation of Quantum Mechanics

    ERIC Educational Resources Information Center

    Christoudouleas, N. D.

    1975-01-01

    Presents an explanation, without mathematical equations, of the basic principles of quantum mechanics. Includes wave-particle duality, the probability character of the wavefunction, and the uncertainty relations. (MLH)

  7. Macroscopic test of quantum mechanics versus stochastic electrodynamics

    NASA Astrophysics Data System (ADS)

    Chaturvedi, S.; Drummond, Peter D.

    1997-02-01

    We identify a test of quantum mechanics versus macroscopic local realism in the form of stochastic electrodynamics. The test uses the steady-state triple quadrature correlations of a parametric oscillator below threshold.

  8. A Simplified Quantum Mechanical Model of Diatomic Molecules

    ERIC Educational Resources Information Center

    Nielsen, Lars Drud

    1978-01-01

    Introduces a simple one-dimensional model of a diatomic molecule that can explain all the essential features of a real two particle quantum mechanical system and gives quantitative results in fair agreement with those of a hydrogen molecule. (GA)

  9. Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism.

    PubMed

    Hamada, Yojiro; Kanematsu, Yusuke; Tachikawa, Masanori

    2016-10-11

    The sialyltransferase is an enzyme that transfers the sialic acid moiety from cytidine 5'-monophospho-N-acetyl-neuraminic acid (CMP-NeuAc) to the terminal position of glycans. To elucidate the catalytic mechanism of sialyltransferase, we explored the potential energy surface along the sialic acid transfer reaction coordinates by the hybrid quantum mechanics/molecular mechanics method on the basis of the crystal structure of sialyltransferase CstII. Our calculation demonstrated that CstII employed an SN1-like reaction mechanism via the formation of a short-lived oxocarbenium ion intermediate. The computational barrier height was 19.5 kcal/mol, which reasonably corresponded with the experimental reaction rate. We also found that two tyrosine residues (Tyr156 and Tyr162) played a vital role in stabilizing the intermediate and the transition states by quantum mechanical interaction with CMP.

  10. Contexts, Systems and Modalities: A New Ontology for Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Auffèves, Alexia; Grangier, Philippe

    2016-02-01

    In this article we present a possible way to make usual quantum mechanics fully compatible with physical realism, defined as the statement that the goal of physics is to study entities of the natural world, existing independently from any particular observer's perception, and obeying universal and intelligible rules. Rather than elaborating on the quantum formalism itself, we propose a new quantum ontology, where physical properties are attributed jointly to the system, and to the context in which it is embedded. In combination with a quantization principle, this non-classical definition of physical reality sheds new light on counter-intuitive features of quantum mechanics such as the origin of probabilities, non-locality, and the quantum-classical boundary.

  11. Probability in the Many-Worlds Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Vaidman, Lev

    It is argued that, although in the Many-Worlds Interpretation of quantum mechanics there is no "probability" for an outcome of a quantum experiment in the usual sense, we can understand why we have an illusion of probability. The explanation involves: (a) A "sleeping pill" gedanken experiment which makes correspondence between an illegitimate question: "What is the probability of an outcome of a quantum measurement?" with a legitimate question: "What is the probability that `I' am in the world corresponding to that outcome?"; (b) A gedanken experiment which splits the world into several worlds which are identical according to some symmetry condition; and (c) Relativistic causality, which together with (b) explain the Born rule of standard quantum mechanics. The Quantum Sleeping Beauty controversy and "caring measure" replacing probability measure are discussed.

  12. On the hypothesis that quantum mechanism manifests classical mechanics: Numerical approach to the correspondence in search of quantum chaos

    SciTech Connect

    Lee, Sang-Bong

    1993-09-01

    Quantum manifestation of classical chaos has been one of the extensively studied subjects for more than a decade. Yet clear understanding of its nature still remains to be an open question partly due to the lack of a canonical definition of quantum chaos. The classical definition seems to be unsuitable in quantum mechanics partly because of the Heisenberg quantum uncertainty. In this regard, quantum chaos is somewhat misleading and needs to be clarified at the very fundamental level of physics. Since it is well known that quantum mechanics is more fundamental than classical mechanics, the quantum description of classically chaotic nature should be attainable in the limit of large quantum numbers. The focus of my research, therefore, lies on the correspondence principle for classically chaotic systems. The chaotic damped driven pendulum is mainly studied numerically using the split operator method that solves the time-dependent Schroedinger equation. For classically dissipative chaotic systems in which (multi)fractal strange attractors often emerge, several quantum dissipative mechanisms are also considered. For instance, Hoover`s and Kubo-Fox-Keizer`s approaches are studied with some computational analyses. But the notion of complex energy with non-Hermiticity is extensively applied. Moreover, the Wigner and Husimi distribution functions are examined with an equivalent classical distribution in phase-space, and dynamical properties of the wave packet in configuration and momentum spaces are also explored. The results indicate that quantum dynamics embraces classical dynamics although the classicalquantum correspondence fails to be observed in the classically chaotic regime. Even in the semi-classical limits, classically chaotic phenomena would eventually be suppressed by the quantum uncertainty.

  13. $\\cN$-FOLD SUPERSYMMETRY IN QUANTUM MECHANICAL MATRIX MODELS

    NASA Astrophysics Data System (ADS)

    Tanaka, Toshiaki

    2012-03-01

    We formulate Ņ-fold supersymmetry in quantum mechanical matrix models. As an example, we construct general two-by-two Hermitian matrix two-fold supersymmetric quantum mechanical systems. We find that there are two inequivalent such systems, both of which are characterized by two arbitrary scalar functions, and one of which does not reduce to the scalar system. The obtained systems are all weakly quasi-solvable.

  14. Geometrical description of algebraic structures: Applications to Quantum Mechanics

    SciTech Connect

    Carinena, J. F.; Ibort, A.; Marmo, G.; Morandi, G.

    2009-05-06

    Geometrization of physical theories have always played an important role in their analysis and development. In this contribution we discuss various aspects concerning the geometrization of physical theories: from classical mechanics to quantum mechanics. We will concentrate our attention into quantum theories and we will show how to use in a systematic way the transition from algebraic to geometrical structures to explore their geometry, mainly its Jordan-Lie structure.

  15. Bohmian mechanics with complex action: A new trajectory-based formulation of quantum mechanics

    SciTech Connect

    Goldfarb, Yair; Degani, Ilan; Tannor, David J.

    2006-12-21

    In recent years there has been a resurgence of interest in Bohmian mechanics as a numerical tool because of its local dynamics, which suggest the possibility of significant computational advantages for the simulation of large quantum systems. However, closer inspection of the Bohmian formulation reveals that the nonlocality of quantum mechanics has not disappeared--it has simply been swept under the rug into the quantum force. In this paper we present a new formulation of Bohmian mechanics in which the quantum action, S, is taken to be complex. This leads to a single equation for complex S, and ultimately complex x and p but there is a reward for this complexification - a significantly higher degree of localization. The quantum force in the new approach vanishes for Gaussian wave packet dynamics, and its effect on barrier tunneling processes is orders of magnitude lower than that of the classical force. In fact, the current method is shown to be a rigorous extension of generalized Gaussian wave packet dynamics to give exact quantum mechanics. We demonstrate tunneling probabilities that are in virtually perfect agreement with the exact quantum mechanics down to 10{sup -7} calculated from strictly localized quantum trajectories that do not communicate with their neighbors. The new formulation may have significant implications for fundamental quantum mechanics, ranging from the interpretation of non-locality to measures of quantum complexity.

  16. Bohmian mechanics with complex action: a new trajectory-based formulation of quantum mechanics.

    PubMed

    Goldfarb, Yair; Degani, Ilan; Tannor, David J

    2006-12-21

    In recent years there has been a resurgence of interest in Bohmian mechanics as a numerical tool because of its local dynamics, which suggest the possibility of significant computational advantages for the simulation of large quantum systems. However, closer inspection of the Bohmian formulation reveals that the nonlocality of quantum mechanics has not disappeared-it has simply been swept under the rug into the quantum force. In this paper we present a new formulation of Bohmian mechanics in which the quantum action, S, is taken to be complex. This leads to a single equation for complex S, and ultimately complex x and p but there is a reward for this complexification-a significantly higher degree of localization. The quantum force in the new approach vanishes for Gaussian wave packet dynamics, and its effect on barrier tunneling processes is orders of magnitude lower than that of the classical force. In fact, the current method is shown to be a rigorous extension of generalized Gaussian wave packet dynamics to give exact quantum mechanics. We demonstrate tunneling probabilities that are in virtually perfect agreement with the exact quantum mechanics down to 10(-7) calculated from strictly localized quantum trajectories that do not communicate with their neighbors. The new formulation may have significant implications for fundamental quantum mechanics, ranging from the interpretation of non-locality to measures of quantum complexity.

  17. Quantum-mechanical definition of atoms and their interactions in molecules

    NASA Astrophysics Data System (ADS)

    Langhoff, Peter; Ben-Nun, Michal; Mills, Jeffrey; Boatz, Jerry; Gallup, Gordon

    2014-05-01

    Assignments of indistinguishable electrons to particular atomic nuclei in a molecule are generally regarded as meaningless, as are associated definitions of fragment atomic and atomic-interaction operators. As a consequence, a generally agreed upon quantum-mechanical definition of a ``chemical bond'' between atoms in a molecule is largely absent. In the present report, a computationally-viable quantum-mechanical definition of chemical bonding between atoms in a molecule is presented based on the Born-Oppenheimer approximation, the Couloumb Hamiltonian operator, and the conditional context afforded by representation theory. An orthonormal (Eisenschitz-London) outer product of atomic spectral eigenstates is employed to provide meaningful assignments of electrons to particular atomic nuclei in a molecule, as well as support of corresponding well-defined self-adjoint atomic and atomic-interaction fragment operators. Total molecular energies obtained in this representation are partitioned into a sum of atomic terms which describe distributions of atomic energy promotions for the individual atoms and a pairwise-atomic sum of distributions among universal interaction energies which describe chemical bonds among the constituent atoms. Illustrative clarifying applications are reported. Supported in part by US Air Force Research Laboratory.

  18. Quantum mechanical effects in plasmonic structures with subnanometre gaps

    PubMed Central

    Zhu, Wenqi; Esteban, Ruben; Borisov, Andrei G.; Baumberg, Jeremy J.; Nordlander, Peter; Lezec, Henri J.; Aizpurua, Javier; Crozier, Kenneth B.

    2016-01-01

    Metallic structures with nanogap features have proven highly effective as building blocks for plasmonic systems, as they can provide a wide tuning range of operating frequencies and large near-field enhancements. Recent work has shown that quantum mechanical effects such as electron tunnelling and nonlocal screening become important as the gap distances approach the subnanometre length-scale. Such quantum effects challenge the classical picture of nanogap plasmons and have stimulated a number of theoretical and experimental studies. This review outlines the findings of many groups into quantum mechanical effects in nanogap plasmons, and discusses outstanding challenges and future directions. PMID:27255556

  19. Acoustic Analog to Quantum Mechanical Level-Splitting

    NASA Astrophysics Data System (ADS)

    Hilbert, Shawn

    2010-03-01

    One difficulty in teaching quantum mechanics is the lack of classroom demonstrations. To sidestep this issue, analogies can provide an enlightening alternative. Acoustics governance by the same time-independent wave equation as quantum mechanics supports it use in such analogies. This presentation examines one such analogy for an infinite potential well with a delta potential perturbation. The physical acoustic system consists of continuous sounds waves traveling in a pair of tubes which are separated by a variable diaphragm. The level-splitting nature of the quantum system can be mimicked in the acoustic system.

  20. Evolutionary approach for determining first-principles hamiltonians.

    PubMed

    Hart, Gus L W; Blum, Volker; Walorski, Michael J; Zunger, Alex

    2005-05-01

    Modern condensed-matter theory from first principles is highly successful when applied to materials of given structure-type or restricted unit-cell size. But this approach is limited where large cells or searches over millions of structure types become necessary. To treat these with first-principles accuracy, one 'coarse-grains' the many-particle Schrodinger equation into 'model hamiltonians' whose variables are configurational order parameters (atomic positions, spin and so on), connected by a few 'interaction parameters' obtained from a microscopic theory. But to construct a truly quantitative model hamiltonian, one must know just which types of interaction parameters to use, from possibly 10(6)-10(8) alternative selections. Here we show how genetic algorithms, mimicking biological evolution ('survival of the fittest'), can be used to distil reliable model hamiltonian parameters from a database of first-principles calculations. We demonstrate this for a classic dilemma in solid-state physics, structural inorganic chemistry and metallurgy: how to predict the stable crystal structure of a compound given only its composition. The selection of leading parameters based on a genetic algorithm is general and easily applied to construct any other type of complex model hamiltonian from direct quantum-mechanical results.

  1. Quantum mechanics simulation of protein dynamics on long timescale.

    PubMed

    Liu, H; Elstner, M; Kaxiras, E; Frauenheim, T; Hermans, J; Yang, W

    2001-09-01

    Protein structure and dynamics are the keys to a wide range of problems in biology. In principle, both can be fully understood by using quantum mechanics as the ultimate tool to unveil the molecular interactions involved. Indeed, quantum mechanics of atoms and molecules have come to play a central role in chemistry and physics. In practice, however, direct application of quantum mechanics to protein systems has been prohibited by the large molecular size of proteins. As a consequence, there is no general quantum mechanical treatment that not only exceeds the accuracy of state-of-the-art empirical models for proteins but also maintains the efficiency needed for extensive sampling in the conformational space, a requirement mandated by the complexity of protein systems. Here we show that, given recent developments in methods, a general quantum mechanical-based treatment can be constructed. We report a molecular dynamics simulation of a protein, crambin, in solution for 350 ps in which we combine a semiempirical quantum-mechanical description of the entire protein with a description of the surrounding solvent, and solvent-protein interactions based on a molecular mechanics force field. Comparison with a recent very high-resolution crystal structure of crambin (Jelsch et al., Proc Natl Acad Sci USA 2000;102:2246-2251) shows that geometrical detail is better reproduced in this simulation than when several alternate molecular mechanics force fields are used to describe the entire system of protein and solvent, even though the structure is no less flexible. Individual atomic charges deviate in both directions from "canonical" values, and some charge transfer is found between the N and C-termini. The capability of simulating protein dynamics on and beyond the few hundred ps timescale with a demonstrably accurate quantum mechanical model will bring new opportunities to extend our understanding of a range of basic processes in biology such as molecular recognition and enzyme

  2. Quantum epistemology from subquantum ontology: Quantum mechanics from theory of classical random fields

    NASA Astrophysics Data System (ADS)

    Khrennikov, Andrei

    2017-02-01

    The scientific methodology based on two descriptive levels, ontic (reality as it is) and epistemic (observational), is briefly presented. Following Schrödinger, we point to the possible gap between these two descriptions. Our main aim is to show that, although ontic entities may be unaccessible for observations, they can be useful for clarification of the physical nature of operational epistemic entities. We illustrate this thesis by the concrete example: starting with the concrete ontic model preceding quantum mechanics (the latter is treated as an epistemic model), namely, prequantum classical statistical field theory (PCSFT), we propose the natural physical interpretation for the basic quantum mechanical entity-the quantum state ("wave function"). The correspondence PCSFT ↦ QM is not straightforward, it couples the covariance operators of classical (prequantum) random fields with the quantum density operators. We use this correspondence to clarify the physical meaning of the pure quantum state and the superposition principle-by using the formalism of classical field correlations.

  3. The Möbius symmetry of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Faraggi, Alon E.; Matone, Marco

    2015-07-01

    The equivalence postulate approach to quantum mechanics aims to formulate quantum mechanics from a fundamental geometrical principle. Underlying the formulation there exists a basic cocycle condition which is invariant under D-dimensional Mobius transformations with respect to the Euclidean or Minkowski metrics. The invariance under global Mobius transformations implies that spatial space is compact. Furthermore, it implies energy quantisation and undefinability of quantum trajectories without assuming any prior interpretation of the wave function. The approach may be viewed as conventional quantum mechanics with the caveat that spatial space is compact, as dictated by the Möbius symmetry, with the classical limit corresponding to the decompactification limit. Correspondingly, there exists a finite length scale in the formalism and consequently an intrinsic regularisation scheme. Evidence for the compactness of space may exist in the cosmic microwave background radiation.

  4. Virtual Learning Environment for Interactive Engagement with Advanced Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Pedersen, Mads Kock; Skyum, Birk; Heck, Robert; Müller, Romain; Bason, Mark; Lieberoth, Andreas; Sherson, Jacob F.

    2016-06-01

    A virtual learning environment can engage university students in the learning process in ways that the traditional lectures and lab formats cannot. We present our virtual learning environment StudentResearcher, which incorporates simulations, multiple-choice quizzes, video lectures, and gamification into a learning path for quantum mechanics at the advanced university level. StudentResearcher is built upon the experiences gathered from workshops with the citizen science game Quantum Moves at the high-school and university level, where the games were used extensively to illustrate the basic concepts of quantum mechanics. The first test of this new virtual learning environment was a 2014 course in advanced quantum mechanics at Aarhus University with 47 enrolled students. We found increased learning for the students who were more active on the platform independent of their previous performances.

  5. Optimal state discrimination and unstructured search in nonlinear quantum mechanics

    NASA Astrophysics Data System (ADS)

    Childs, Andrew M.; Young, Joshua

    2016-02-01

    Nonlinear variants of quantum mechanics can solve tasks that are impossible in standard quantum theory, such as perfectly distinguishing nonorthogonal states. Here we derive the optimal protocol for distinguishing two states of a qubit using the Gross-Pitaevskii equation, a model of nonlinear quantum mechanics that arises as an effective description of Bose-Einstein condensates. Using this protocol, we present an algorithm for unstructured search in the Gross-Pitaevskii model, obtaining an exponential improvement over a previous algorithm of Meyer and Wong. This result establishes a limitation on the effectiveness of the Gross-Pitaevskii approximation. More generally, we demonstrate similar behavior under a family of related nonlinearities, giving evidence that the ability to quickly discriminate nonorthogonal states and thereby solve unstructured search is a generic feature of nonlinear quantum mechanics.

  6. 'Mysticism' in quantum mechanics: the forgotten controversy

    NASA Astrophysics Data System (ADS)

    Marin, Juan Miguel

    2009-07-01

    This paper argues that a European controversy over a 'mystical' hypothesis, one assigning the mind a role to play at the material level of reality, shaped much of the debate over the interpretation of the quantum equations. It traces back the controversy to the past two decades, beginning in the late 1920s—birth of quantum theory—and concluding with Erwin Schrödinger's lectures published as 'Mind and Matter'. Becoming aware of the issues at stake can help us understand the historical, philosophical and cultural background from which today's physics emerged.

  7. Deformation quantization: Quantum mechanics lives and works in phase space

    NASA Astrophysics Data System (ADS)

    Zachos, Cosmas K.

    2014-09-01

    Wigner's 1932 quasi-probability Distribution Function in phase-space, his first paper in English, is a special (Weyl) representation of the density matrix. It has been useful in describing quantum flows in semiclassical limits; quantum optics; nuclear and physics; decoherence (eg, quantum computing); quantum chaos; "Welcher Weg" puzzles; molecular Talbot-Lau interferometry; atomic measurements. It is further of great importance in signal processing (time-frequency analysis). Nevertheless, a remarkable aspect of its internal logic, pioneered by H. Groenewold and J. Moyal, has only blossomed in the last quarter-century: It furnishes a third, alternate, formulation of Quantum Mechanics, independent of the conventional Hilbert Space (the gold medal), or Path Integral (the silver medal) formulations, and perhaps more intuitive, since it shares language with classical mechanics: one need not choose sides between coordinate or momentum space variables, since it is formulated simultaneously in terms of position and momentum. This bronze medal formulation is logically complete and self-standing, and accommodates the uncertainty principle in an unexpected manner, so that it offers unique insights into the classical limit of quantum theory. The observables in this formulation are cnumber functions in phase space instead of operators, with the same interpretation as their classical counterparts, only now composed together in novel algebraic ways using star products. One might then envision an imaginary world in which this formulation of quantum mechanics had preceded the conventional Hilbert-space formulation, and its own techniques and methods had arisen independently, perhaps out of generalizations of classical mechanics and statistical mechanics. A sampling of such intriguing techniques and methods has already been published in C. K. Zachos, Int Jou Mod Phys A17 297-316 (2002), and T. L. Curtright, D. B. Fairlie, and C. K. Zachos, A Concise Treatise on Quantum Mechanics in

  8. Quantum mechanics and reality: An interpretation of Everett's theory

    NASA Astrophysics Data System (ADS)

    Lehner, Christoph Albert

    The central part of Everett's formulation of quantum mechanics is a quantum mechanical model of memory and of observation as the recording of information in a memory. To use this model as an answer to the measurement problem, Everett has to assume that a conscious observer can be in a superposition of such memory states and be unaware of it. This assumption has puzzled generations of readers. The fundamental aim of this dissertation is to find a set of simpler assumptions which are sufficient to show that Everett's model is empirically adequate. I argue that Everett's model needs three assumptions to account for the process of observation: an assumption of decoherence of observers as quantum mechanical systems; an assumption of supervenience of mental states (qualities) over quantum mechanical properties; and an assumption about the interpretation of quantum mechanical states in general: quantum mechanical states describe ensembles of states of affairs coexisting in the same system. I argue that the only plausible understanding of such ensembles is as ensembles of possibilities, and that all standard no-collapse interpretations agree in this reading of quantum mechanical states. Their differences can be understood as different theories about what marks the real state within this ensemble, and Everett's theory as the claim that no additional 'mark of reality' is necessary. Using the three assumptions, I argue that introspection cannot determine the objective quantum mechanical state of an observer. Rather, the introspective qualities of a quantum mechanical state can be represented by a (classical) statistical ensemble of subjective states. An analysis of these subjective states and their dynamics leads to the conclusion that they suffice to give empirically correct predictions. The argument for the empirical adequacy of the subjective state entails that knowledge of the objective quantum mechanical state is impossible in principle. Empirical reality for a conscious

  9. An approximate approach to quantum mechanical study of biomacromolecules

    NASA Astrophysics Data System (ADS)

    Chen, Xihua

    This thesis summarizes the author's major work in Prof. John Z.H. Zhang's Threoretical Chemistry research group. In Chapter 1, we present a general description of MFCC (molecular fractionation with conjugated caps) method that has been developed in this group to treat biomacromolecules in a divide-and-conquer fashion. Then we give in detail a computational study of MFCC application to peptide/protein that contains disulfide bonds. Continued on the basis of previous MFCC tests, this study provides another numerical support for the accuracy of the MFCC approach to full quantum mechanical calculation of protein/peptide-small molecule interaction. In Chapter 2, we further develop the MFCC scheme for quantum mechanical computation of DNA-ligand interaction energy. We study three oligonuclear acid interaction systems: dinucleotide dCG/water, trinucleotide dCGT/water and a Watson-Crick paired DNA segment dCGT/dGCA. The MFCC interaction energies are found to be in excellent agreement with the corresponding results obtained from the full system ab initio calculations. This study is an exemplification of the application of the general MFCC approach to biomacromolecules. In Chapter 3, firstly, a MFCC-downhill simplex method is proposed to study binding structures of ligands (atoms, ions, or small molecules) in large molecular complex systems. This method employs the MFCC approach to compute the interaction energy-structure relation of the system and implements the downhill simplex algorithm for structural optimization. Secondly, this method is numerically tested on a system of [KCp(18-crown-6)], as a simplest monatomic case study, to optimize the binding position of the potassium cation in a fixed coordination Cp and 18-crown-6 coordinating sphere. The result of the MFCC-downhill simplex optimization shows good agreement with both the crystal structure and with the full-system downhill simplex optimized structure. The effects of the initial structure of the simplex and of the

  10. The Transactional Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Kastner, Ruth E.

    2012-10-01

    Preface; 1. Introduction: quantum peculiarities; 2. The map vs the territory; 3. The original TI: fundamentals; 4. The new possibilist TI: fundamentals; 5. Challenges, replies, and applications; 6. PTI and relativity; 7. The metaphysics of possibility; 8. PTI and 'spacetime'; 9. Epilogue: more than meets the eye; Appendixes; References; Index.

  11. Classical and Quantum-Mechanical State Reconstruction

    ERIC Educational Resources Information Center

    Khanna, F. C.; Mello, P. A.; Revzen, M.

    2012-01-01

    The aim of this paper is to present the subject of state reconstruction in classical and in quantum physics, a subject that deals with the experimentally acquired information that allows the determination of the physical state of a system. Our first purpose is to explain a method for retrieving a classical state in phase space, similar to that…

  12. Hamiltonian for a restricted isoenergetic thermostat.

    PubMed

    Dettmann, C P

    1999-12-01

    Nonequilibrium molecular dynamics simulations often use mechanisms called thermostats to regulate the temperature. A Hamiltonian is presented for the case of the isoenergetic (constant internal energy) thermostat corresponding to a tunable isokinetic (constant kinetic energy) thermostat, for which a Hamiltonian has recently been given.

  13. Quantum mechanics of time travel through post-selected teleportation

    NASA Astrophysics Data System (ADS)

    Lloyd, Seth; Maccone, Lorenzo; Garcia-Patron, Raul; Giovannetti, Vittorio; Shikano, Yutaka

    2011-07-01

    This paper discusses the quantum mechanics of closed-timelike curves (CTCs) and of other potential methods for time travel. We analyze a specific proposal for such quantum time travel, the quantum description of CTCs based on post-selected teleportation (P-CTCs). We compare the theory of P-CTCs to previously proposed quantum theories of time travel: the theory is inequivalent to Deutsch’s theory of CTCs, but it is consistent with path-integral approaches (which are the best suited for analyzing quantum-field theory in curved space-time). We derive the dynamical equations that a chronology-respecting system interacting with a CTC will experience. We discuss the possibility of time travel in the absence of general-relativistic closed-timelike curves, and investigate the implications of P-CTCs for enhancing the power of computation.

  14. Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

    NASA Astrophysics Data System (ADS)

    Ojeda-May, Pedro; Pu, Jingzhi

    2015-11-01

    The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r-1 term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN2 reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN2 reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical reactions.

  15. Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulations

    SciTech Connect

    Ojeda-May, Pedro; Pu, Jingzhi

    2015-11-07

    The Wolf summation approach [D. Wolf et al., J. Chem. Phys. 110, 8254 (1999)], in the damped shifted force (DSF) formalism [C. J. Fennell and J. D. Gezelter, J. Chem. Phys. 124, 234104 (2006)], is extended for treating electrostatics in combined quantum mechanical and molecular mechanical (QM/MM) molecular dynamics simulations. In this development, we split the QM/MM electrostatic potential energy function into the conventional Coulomb r{sup −1} term and a term that contains the DSF contribution. The former is handled by the standard machinery of cutoff-based QM/MM simulations whereas the latter is incorporated into the QM/MM interaction Hamiltonian as a Fock matrix correction. We tested the resulting QM/MM-DSF method for two solution-phase reactions, i.e., the association of ammonium and chloride ions and a symmetric SN{sub 2} reaction in which a methyl group is exchanged between two chloride ions. The performance of the QM/MM-DSF method was assessed by comparing the potential of mean force (PMF) profiles with those from the QM/MM-Ewald and QM/MM-isotropic periodic sum (IPS) methods, both of which include long-range electrostatics explicitly. For ion association, the QM/MM-DSF method successfully eliminates the artificial free energy drift observed in the QM/MM-Cutoff simulations, in a remarkable agreement with the two long-range-containing methods. For the SN{sub 2} reaction, the free energy of activation obtained by the QM/MM-DSF method agrees well with both the QM/MM-Ewald and QM/MM-IPS results. The latter, however, requires a greater cutoff distance than QM/MM-DSF for a proper convergence of the PMF. Avoiding time-consuming lattice summation, the QM/MM-DSF method yields a 55% reduction in computational cost compared with the QM/MM-Ewald method. These results suggest that, in addition to QM/MM-IPS, the QM/MM-DSF method may serve as another efficient and accurate alternative to QM/MM-Ewald for treating electrostatics in condensed-phase simulations of chemical

  16. Quantum signatures of chaos or quantum chaos?

    NASA Astrophysics Data System (ADS)

    Bunakov, V. E.

    2016-11-01

    A critical analysis of the present-day concept of chaos in quantum systems as nothing but a "quantum signature" of chaos in classical mechanics is given. In contrast to the existing semi-intuitive guesses, a definition of classical and quantum chaos is proposed on the basis of the Liouville-Arnold theorem: a quantum chaotic system featuring N degrees of freedom should have M < N independent first integrals of motion (good quantum numbers) specified by the symmetry of the Hamiltonian of the system. Quantitative measures of quantum chaos that, in the classical limit, go over to the Lyapunov exponent and the classical stability parameter are proposed. The proposed criteria of quantum chaos are applied to solving standard problems of modern dynamical chaos theory.

  17. Analogies between optical and quantum mechanical angular momentum.

    PubMed

    Nienhuis, Gerard

    2017-02-28

    The insight that a beam of light can carry orbital angular momentum (AM) in its propagation direction came up in 1992 as a surprise. Nevertheless, the existence of momentum and AM of an electromagnetic field has been well known since the days of Maxwell. We compare the expressions for densities of AM in general three-dimensional modes and in paraxial modes. Despite their classical nature, these expressions have a suggestive quantum mechanical appearance, in terms of linear operators acting on mode functions. In addition, paraxial wave optics has several analogies with real quantum mechanics, both with the wave function of a free quantum particle and with a quantum harmonic oscillator. We discuss how these analogies can be applied.This article is part of the themed issue 'Optical orbital angular momentum'.

  18. A modified Lax-Phillips scattering theory for quantum mechanics

    SciTech Connect

    Strauss, Y.

    2015-07-15

    The Lax-Phillips scattering theory is an appealing abstract framework for the analysis of scattering resonances. Quantum mechanical adaptations of the theory have been proposed. However, since these quantum adaptations essentially retain the original structure of the theory, assuming the existence of incoming and outgoing subspaces for the evolution and requiring the spectrum of the generator of evolution to be unbounded from below, their range of applications is rather limited. In this paper, it is shown that if we replace the assumption regarding the existence of incoming and outgoing subspaces by the assumption of the existence of Lyapunov operators for the quantum evolution (the existence of which has been proved for certain classes of quantum mechanical scattering problems), then it is possible to construct a structure analogous to the Lax-Phillips structure for scattering problems for which the spectrum of the generator of evolution is bounded from below.

  19. Quantum mechanics on profinite groups and partial order

    NASA Astrophysics Data System (ADS)

    Vourdas, A.

    2013-02-01

    Inverse limits and profinite groups are used in a quantum mechanical context. Two cases are considered: a quantum system with positions in the profinite group { {Z}}_p and momenta in the group { {Q}}_p/{ {Z}}_p, and a quantum system with positions in the profinite group {\\widehat{ {Z}}} and momenta in the group { {Q}}/{ {Z}}. The corresponding Schwatz-Bruhat spaces of wavefunctions and the Heisenberg-Weyl groups are discussed. The sets of subsystems of these systems are studied from the point of view of partial order theory. It is shown that they are directed-complete partial orders. It is also shown that they are topological spaces with T0-topologies, and this is used to define continuity of various physical quantities. The physical meaning of profinite groups, non-Archimedean metrics, partial orders and T0-topologies, in a quantum mechanical context, is discussed.

  20. Analogies between optical and quantum mechanical angular momentum

    NASA Astrophysics Data System (ADS)

    Nienhuis, Gerard

    2017-02-01

    The insight that a beam of light can carry orbital angular momentum (AM) in its propagation direction came up in 1992 as a surprise. Nevertheless, the existence of momentum and AM of an electromagnetic field has been well known since the days of Maxwell. We compare the expressions for densities of AM in general three-dimensional modes and in paraxial modes. Despite their classical nature, these expressions have a suggestive quantum mechanical appearance, in terms of linear operators acting on mode functions. In addition, paraxial wave optics has several analogies with real quantum mechanics, both with the wave function of a free quantum particle and with a quantum harmonic oscillator. We discuss how these analogies can be applied. This article is part of the themed issue 'Optical orbital angular momentum'.

  1. A modified Lax-Phillips scattering theory for quantum mechanics

    NASA Astrophysics Data System (ADS)

    Strauss, Y.

    2015-07-01

    The Lax-Phillips scattering theory is an appealing abstract framework for the analysis of scattering resonances. Quantum mechanical adaptations of the theory have been proposed. However, since these quantum adaptations essentially retain the original structure of the theory, assuming the existence of incoming and outgoing subspaces for the evolution and requiring the spectrum of the generator of evolution to be unbounded from below, their range of applications is rather limited. In this paper, it is shown that if we replace the assumption regarding the existence of incoming and outgoing subspaces by the assumption of the existence of Lyapunov operators for the quantum evolution (the existence of which has been proved for certain classes of quantum mechanical scattering problems), then it is possible to construct a structure analogous to the Lax-Phillips structure for scattering problems for which the spectrum of the generator of evolution is bounded from below.

  2. 2D Quantum Simulation of MOSFET Using the Non Equilibrium Green's Function Method

    NASA Technical Reports Server (NTRS)

    Svizhenko, Alexel; Anantram, M. P.; Govindan, T. R.; Yan, Jerry (Technical Monitor)

    2000-01-01

    The objectives this viewgraph presentation summarizes include: (1) the development of a quantum mechanical simulator for ultra short channel MOSFET simulation, including theory, physical approximations, and computer code; (2) explore physics that is not accessible by semiclassical methods; (3) benchmarking of semiclassical and classical methods; and (4) study other two-dimensional devices and molecular structure, from discretized Hamiltonian to tight-binding Hamiltonian.

  3. Comment on 'Nonlocality, Counterfactuals and Quantum Mechanics'

    SciTech Connect

    Stapp, H.P.

    1999-04-14

    A recent proof [H. P. Stapp, Am. J. Phys. 65, 300 (1997)], formulated in the symbolic language of modal logic, claims to show that contemporary quantum theory, viewed as a set of rules that allow us to calculate statistical predictions among certain kinds of observations, cannot be imbedded in any rational framework that conforms to the principles that (1) the experimenters' choices of which experiments they will perform can be considered to be free choices, (2) outcomes of measurements are unique, and (3) the free choices just mentioned have no backward-in-time effects of any kind. This claim is similar to Bell's theorem, but much stronger, because no reality assumption alien to quantum philosophy is used. The paper being commented on [W. Unruh, Phys. Rev. A 59, 126 (1999)] argues that some such reality assumption has been ''smuggled'' in. That argument is examined here and shown, I believe, to be defective.

  4. Quantum Mechanics for Beginning Physics Students

    NASA Astrophysics Data System (ADS)

    Schneider, Mark B.

    2010-10-01

    The past two decades of attention to introductory physics education has emphasized enhanced development of conceptual understanding to accompany calculational ability. Given this, it is surprising that current texts continue to rely on the Bohr model to develop a flawed intuition, and introduce correct atomic physics on an ad hoc basis. For example, Halliday, Resnick, and Walker describe the origin of atomic quantum numbers as such: "The restrictions on the values of the quantum number for the hydrogen atom, as listed in Table 39-2, are not arbitrary but come out of the solution to Schrödinger's equation." They give no further justification, but do point out the values are in conflict with the predictions of the Bohr model.

  5. Use of mathematical logical concepts in quantum mechanics: an example

    NASA Astrophysics Data System (ADS)

    Benioff, Paul

    2002-07-01

    The representation of numbers by product states in quantum mechanics can be extended to the representation of words and word sequences in languages by product states. This can be used to study quantum systems that generate text that has meaning. A simple example of such a system, based on an example described by Smullyan, is studied here. Based on a path interpretation for some word states, definitions of truth, validity, consistency and completeness are given and their properties studied. It is also shown that the relation between the potential meaning, if any, of word states and the quantum algorithmic complexity of the process generating the word states must be quite complex or nonexistent.

  6. Mathematical foundations of quantum mechanics: An advanced short course

    NASA Astrophysics Data System (ADS)

    Moretti, Valter

    2016-08-01

    This paper collects and extends the lectures I gave at the “XXIV International Fall Workshop on Geometry and Physics” held in Zaragoza (Spain) during September 2015. Within these lectures I review the formulation of Quantum Mechanics, and quantum theories in general, from a mathematically advanced viewpoint, essentially based on the orthomodular lattice of elementary propositions, discussing some fundamental ideas, mathematical tools and theorems also related to the representation of physical symmetries. The final step consists of an elementary introduction the so-called (C∗-) algebraic formulation of quantum theories.

  7. Cosmology and the pilot wave interpretation of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Tipler, Frank J.

    1984-07-01

    Bell has recently revived the pilot wave interpretation of de Broglie and Bohm as a possible scheme for interpreting wave functions in quantum cosmology. I argue that the pilot wave interpretation cannot be applied consistently to systems whose wave functions split into macroscopically distinguishable states. At some stage the pilot wave interpretation must either tacitly invoke wave function reduction in the same manner as the Copenhagen interpretation, or else abandon locality by requiring physical particles to move faster than light. Consequently, the many-worlds interpretation is the only known realist interpretation of the quantum mechanical formalism which can be extended to quantum cosmology.

  8. Models on the boundary between classical and quantum mechanics.

    PubMed

    Hooft, Gerard 't

    2015-08-06

    Arguments that quantum mechanics cannot be explained in terms of any classical theory using only classical logic seem to be based on sound mathematical considerations: there cannot be physical laws that require 'conspiracy'. It may therefore be surprising that there are several explicit quantum systems where these considerations apparently do not apply. In this report, several such counterexamples are shown. These are quantum models that do have a classical origin. The most curious of these models is superstring theory. So now the question is asked: how can such a model feature 'conspiracy', and how bad is that? Is there conspiracy in the vacuum fluctuations? Arguments concerning Bell's theorem are further sharpened.

  9. Quantum mechanics from an equivalence principle

    SciTech Connect

    Faraggi, A.E.; Matone, M.

    1997-05-15

    The authors show that requiring diffeomorphic equivalence for one-dimensional stationary states implies that the reduced action S{sub 0} satisfies the quantum Hamilton-Jacobi equation with the Planck constant playing the role of a covariantizing parameter. The construction shows the existence of a fundamental initial condition which is strictly related to the Moebius symmetry of the Legendre transform and to its involutive character. The universal nature of the initial condition implies the Schroedinger equation in any dimension.

  10. Randomness in quantum mechanics - nature's ultimate cryptogram?

    NASA Astrophysics Data System (ADS)

    Erber, T.; Putterman, S.

    1985-11-01

    The possibility that a single atom irradiated by coherent light will be equivalent to an infinite computer with regard to its ability to generate random numbers is addressed. A search for unexpected patterns of order by crypt analysis of the telegraph signal generated by the on/off time of the atom's fluorescence is described. The results will provide new experimental tests of the fundamental principles of quantum theory.

  11. Photon physics: from wave mechanics to quantum electrodynamics

    NASA Astrophysics Data System (ADS)

    Keller, Ole

    2009-05-01

    When rewritten in an appropriate manner, the microscopic Maxwell-Lorentz equations appear as a wave-mechanical theory for photons, and their quantum physical interaction with matter. A natural extension leads from photon wave mechanics to quantum electrodynamics (QED). In its modern formulation photon wave mechanics has given us valuable new insight in subjects such as spatial photon localization, near-field photon dynamics, transverse photon mass, photon eikonal theory, photon tunneling, and rim-zone electrodynamics. The present review is based on my plenary lecture at the SPIE-Europe 2009 Optics and Optoelectronics International Symposium in Prague.

  12. The conceptual and the anecdotal history of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Beller, Mara

    1996-04-01

    The aim of this paper is to combine the intellectual and the psychosocial aspects. blurring the distinction between the conceptual and the anecdotal history of quantum mechanics. The full realization of the importance of such “anecdotal” factors leads to the revision of our understanding of the conceptual development itself. The paper concludes with the suggestion that a major part of numerous inconsistencies in the Copenhagen interpretation of quantum physics are of a psychosocial origin.

  13. Preparing a mechanical oscillator in non-gaussian quantum states.

    PubMed

    Khalili, Farid; Danilishin, Stefan; Miao, Haixing; Müller-Ebhardt, Helge; Yang, Huan; Chen, Yanbei

    2010-08-13

    We propose a protocol for coherently transferring non-Gaussian quantum states from an optical field to a mechanical oscillator. We demonstrate its experimental feasibility in future gravitational-wave detectors and tabletop optomechanical devices. This work not only outlines a feasible way to investigate nonclassicality in macroscopic optomechanical systems, but also presents a new and elegant approach for solving non-Markovian open quantum dynamics in general linear systems.

  14. Quantum mechanical study of solvent effects in a prototype S{sub N}2 reaction in solution: Cl{sup −} attack on CH{sub 3}Cl

    SciTech Connect

    Kuechler, Erich R.; York, Darrin M.

    2014-02-07

    The nucleophilic attack of a chloride ion on methyl chloride is an important prototype S{sub N}2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

  15. Combined quantum mechanical/molecular mechanics modeling for large organometallic and metallobiochemical systems

    NASA Astrophysics Data System (ADS)

    Leong, Max Kangchien

    A method of combined quantum mechanics/molecular mechanics has been developed to model larger organometallic and metallobiochemical systems where neither quantum mechanics nor molecular mechanics, applied separately, can solve the problem. An electronically transparent interface, which allows charge transfers between the quantum and classical fragments, is devised and realized by employing a special iterative procedure of double (intrafragment and interfragment) self-consistent calculations. The combined QM/MM scheme was successfully applied to model iron picket-fence porphyrin, vitamin B12, aquocobalamin, and vitamin B12 coenzyme molecules.

  16. Investigations of fundamental phenomena in quantum mechanics with neutrons

    NASA Astrophysics Data System (ADS)

    Hasegawa, Yuji

    2014-04-01

    Neutron interferometer and polarimeter are used for the experimental investigations of quantum mechanical phenomena. Interferometry exhibits clear evidence of quantum-contextuality and polarimetry demonstrates conflicts of a contextual model of quantum mechanics á la Leggett. In these experiments, entanglements are achieved between degrees of freedom in a single-particle: spin, path and energy degrees of freedom are manipulated coherently and entangled. Both experiments manifest the fact that quantum contextuality is valid for phenomena with matter waves with high precision. In addition, another experiment is described which deals with error-disturbance uncertainty relation: we have experimentally tested error-disturbance uncertainty relations, one is derived by Heisenberg and the other by Ozawa. Experimental results confirm the fact that the Heisenberg's uncertainty relation is often violated and that the new relation by Ozawa is always larger than the limit. At last, as an example of a counterfactual phenomenon of quantum mechanics, observation of so-called quantum Cheshire Cat is carried out by using neutron interferometer. Experimental results suggest that pre- and post-selected neutrons travel through one of the arms of the interferometer while their magnetic moment is located in the other arm.

  17. A geometric approach to quantum control in projective hilbert spaces

    NASA Astrophysics Data System (ADS)

    Pastorello, Davide

    2017-02-01

    A quantum theory in a finite-dimensional Hilbert space can be formulated as a proper geometric Hamiltonian theory as explained in [2, 3, 7, 9]. From this point of view a quantum system can be described within a classical-like framework where quantum dynamics is represented by a Hamiltonian flow in the phase space given by a projective Hilbert space. This paper is devoted to investigating how the notion of an accessibility algebra from classical control theory can be applied within the geometric Hamiltonian formulation of quantum mechanics to study controllability of a quantum system. A new characterization of quantum controllability in terms of Killing vector fields w.r.t. the Fubini-Study metric on projective space is also discussed.

  18. Estimates on Functional Integrals of Quantum Mechanics and Non-relativistic Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Bley, Gonzalo A.; Thomas, Lawrence E.

    2017-01-01

    We provide a unified method for obtaining upper bounds for certain functional integrals appearing in quantum mechanics and non-relativistic quantum field theory, functionals of the form {E[{exp}(A_T)]} , the (effective) action {A_T} being a function of particle trajectories up to time T. The estimates in turn yield rigorous lower bounds for ground state energies, via the Feynman-Kac formula. The upper bounds are obtained by writing the action for these functional integrals in terms of stochastic integrals. The method is illustrated in familiar quantum mechanical settings: for the hydrogen atom, for a Schrödinger operator with {1/|x|^2} potential with small coupling, and, with a modest adaptation of the method, for the harmonic oscillator. We then present our principal applications of the method, in the settings of non-relativistic quantum field theories for particles moving in a quantized Bose field, including the optical polaron and Nelson models.

  19. Reality, Causality, and Probability, from Quantum Mechanics to Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Plotnitsky, Arkady

    2015-10-01

    These three lectures consider the questions of reality, causality, and probability in quantum theory, from quantum mechanics to quantum field theory. They do so in part by exploring the ideas of the key founding figures of the theory, such N. Bohr, W. Heisenberg, E. Schrödinger, or P. A. M. Dirac. However, while my discussion of these figures aims to be faithful to their thinking and writings, and while these lectures are motivated by my belief in the helpfulness of their thinking for understanding and advancing quantum theory, this project is not driven by loyalty to their ideas. In part for that reason, these lectures also present different and even conflicting ways of thinking in quantum theory, such as that of Bohr or Heisenberg vs. that of Schrödinger. The lectures, most especially the third one, also consider new physical, mathematical, and philosophical complexities brought in by quantum field theory vis-à-vis quantum mechanics. I close by briefly addressing some of the implications of the argument presented here for the current state of fundamental physics.

  20. Quantum mechanics, gravity and modified quantization relations.

    PubMed

    Calmet, Xavier

    2015-08-06

    In this paper, we investigate a possible energy scale dependence of the quantization rules and, in particular, from a phenomenological point of view, an energy scale dependence of an effective [Formula: see text] (reduced Planck's constant). We set a bound on the deviation of the value of [Formula: see text] at the muon scale from its usual value using measurements of the anomalous magnetic moment of the muon. Assuming that inflation has taken place, we can conclude that nature is described by a quantum theory at least up to an energy scale of about 10(16) GeV.

  1. A deformation quantization theory for noncommutative quantum mechanics

    SciTech Connect

    Costa Dias, Nuno; Prata, Joao Nuno; Gosson, Maurice de; Luef, Franz

    2010-07-15

    We show that the deformation quantization of noncommutative quantum mechanics previously considered by Dias and Prata ['Weyl-Wigner formulation of noncommutative quantum mechanics', J. Math. Phys. 49, 072101 (2008)] and Bastos, Dias, and Prata ['Wigner measures in non-commutative quantum mechanics', e-print arXiv:math-ph/0907.4438v1; Commun. Math. Phys. (to appear)] can be expressed as a Weyl calculus on a double phase space. We study the properties of the star-product thus defined and prove a spectral theorem for the star-genvalue equation using an extension of the methods recently initiated by de Gosson and Luef ['A new approach to the *-genvalue equation', Lett. Math. Phys. 85, 173-183 (2008)].

  2. Quantum-mechanical description of in-medium fragmentation

    NASA Astrophysics Data System (ADS)

    Kopeliovich, B. Z.; Pirner, H.-J.; Potashnikova, I. K.; Schmidt, Ivan; Tarasov, A. V.; Voskresenskaya, O. O.

    2008-11-01

    We present a quantum-mechanical description of quark-hadron fragmentation in a nuclear environment. It employs the path-integral formulation of quantum mechanics, which takes care of all phases and interferences and contains all relevant time scales, such as production, coherence, and formation. The cross section includes the probability of prehadron (colorless dipole) production both inside and outside the medium. Moreover, it also includes inside-outside production, which is a typical quantum-mechanical interference effect (like twin-slit electron propagation). We observe a substantial suppression caused by the medium, even if the prehadron is produced outside the medium and no energy loss is involved. This important source of suppression is missed in the usual energy-loss scenario interpreting the effect of jet quenching observed in heavy ion collisions. This may be one reason for the too large gluon density reported by such analyses.

  3. David Bohm's Hidden Variables Interpretation of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Hall, Ned; Feldman, Gary; Wulsin, Wells

    2001-04-01

    This talk presents the hidden variables interpretation of quantum mechanics as proposed by David Bohm in 1952. Using a pilot-wave, Bohm’s theory reproduces the standard predictions of quantum mechanics while at the same time postulating that particles at all times are localized at definite positions. By way of introduction, the foundational issue of the quantum mechanics measurement problem will be discussed. The talk will then focus on how Bohm’s formulation of a hidden variables theory stands up to philosophical examination. Traditional objections to the theory, such as the EPR paradox, will be addressed, as well as the deeper metaphysical implications it holds for our view of the universe.

  4. On testing for the stage of collapse in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Becker, Lon Stephen

    The question was considered whether it is possible to experimentally narrow down the time of collapse in the measurement process of quantum mechanics. A form of experiment was developed towards that end. The proof of John von Neumann that it is impossible to determine the time of collapse was analyzed, and its hidden assumptions were exploited in the design of the experiment. The reinterpretation of quantum mechanics by David Bohm was introduced to give an alternative way of looking at quantum mechanics. An objection to this view was discussed but rejected. Finally a pair of thought experiments were offered with the potential to be converted in the future into tests for whether collapse has occurred at various points in the measurement process.

  5. Quantum-mechanical transport equation for atomic systems.

    NASA Technical Reports Server (NTRS)

    Berman, P. R.

    1972-01-01

    A quantum-mechanical transport equation (QMTE) is derived which should be applicable to a wide range of problems involving the interaction of radiation with atoms or molecules which are also subject to collisions with perturber atoms. The equation follows the time evolution of the macroscopic atomic density matrix elements of atoms located at classical position R and moving with classical velocity v. It is quantum mechanical in the sense that all collision kernels or rates which appear have been obtained from a quantum-mechanical theory and, as such, properly take into account the energy-level variations and velocity changes of the active (emitting or absorbing) atom produced in collisions with perturber atoms. The present formulation is better suited to problems involving high-intensity external fields, such as those encountered in laser physics.

  6. Quantum mechanisms of density wave transport

    PubMed Central

    Miller, John H.; Wijesinghe, Asanga I.

    2012-01-01

    We report on new developments in the quantum picture of correlated electron transport in charge and spin density waves. The model treats the condensate as a quantum fluid in which charge soliton domain wall pairs nucleate above a Coulomb blockade threshold field. We employ a time-correlated soliton tunneling model, analogous to the theory of time-correlated single electron tunneling, to interpret the voltage oscillations and nonlinear current-voltage characteristics above threshold. An inverse scaling relationship between threshold field and dielectric response, originally proposed by Grüner, emerges naturally from the model. Flat dielectric and other ac responses below threshold in NbSe3 and TaS3, as well as small density wave phase displacements, indicate that the measured threshold is often much smaller than the classical depinning field. In some materials, the existence of two distinct threshold fields suggests that both soliton nucleation and classical depinning may occur. In our model, the ratio of electrostatic charging to pinning energy helps determine whether soliton nucleation or classical depinning dominates. PMID:22711979

  7. Nonperturbative embedding for highly nonlocal Hamiltonians

    NASA Astrophysics Data System (ADS)

    Subaşı, Yiǧit; Jarzynski, Christopher

    2016-07-01

    The need for Hamiltonians with many-body interactions arises in various applications of quantum computing. However, interactions beyond two-body are difficult to realize experimentally. Perturbative gadgets were introduced to obtain arbitrary many-body effective interactions using Hamiltonians with at most two-body interactions. Although valid for arbitrary k -body interactions, their use is limited to small k because the strength of interaction is k th order in perturbation theory. In this paper we develop a nonperturbative technique for obtaining effective k -body interactions using Hamiltonians consisting of at most l -body interactions with l Hamiltonian which is more local than the original one (using an analog device), and finally reverse the unitary transformation. The net effect of this procedure is shown to be equivalent to evolving the system with the original nonlocal Hamiltonian. This technique does not suffer from the aforementioned shortcoming of perturbative methods and requires only one ancilla qubit for each k -body interaction irrespective of the value of k . It works best for Hamiltonians with a few many-body interactions involving a large number of qubits and can be used together with perturbative gadgets to embed Hamiltonians of considerable complexity in proper subspaces of two-local Hamiltonians. We describe how our technique can be implemented in a hybrid (gate-based and adiabatic) as well as solely adiabatic quantum computing scheme.

  8. Reality in quantum mechanics, Extended Everett Concept, and consciousness

    NASA Astrophysics Data System (ADS)

    Mensky, M. B.

    2007-09-01

    Conceptual problems in quantum mechanics result from the specific quantum concept of reality and require, for their solution, including the observer’s consciousness into the quantum theory of measurements. Most naturally, this is achieved in the framework of Everett’s “many-world interpretation” of quantum mechanics. According to this interpretation, various classical alternatives are perceived by consciousness separately from each other. In the Extended Everett Concept (EEC) proposed by the present author, the separation of the alternatives is identified with the phenomenon of consciousness. This explains the classical character of the alternatives and unusual manifestations of consciousness arising “at the edge of consciousness” (i.e., in sleep or trance) when its access to “other alternative classical realities” (other Everett’s worlds) becomes feasible. Because of reversibility of quantum evolution in EEC, all time moments in the quantum world are equivalent, while the impression of flow of time appears only in consciousness. If it is assumed that consciousness may influence the probabilities of alternatives (which is consistent in case of infinitely many Everett’s worlds), EEC explains free will, “probabilistic miracles” (observing low-probability events), and decreasing entropy in the sphere of life.

  9. The Misapplication of Probability Theory in Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Racicot, Ronald

    2014-03-01

    This article is a revision of two papers submitted to the APS in the past two and a half years. In these papers, arguments and proofs are summarized for the following: (1) The wrong conclusion by EPR that Quantum Mechanics is incomplete, perhaps requiring the addition of ``hidden variables'' for completion. Theorems that assume such ``hidden variables,'' such as Bell's theorem, are also wrong. (2) Quantum entanglement is not a realizable physical phenomenon and is based entirely on assuming a probability superposition model for quantum spin. Such a model directly violates conservation of angular momentum. (3) Simultaneous multiple-paths followed by a quantum particle traveling through space also cannot possibly exist. Besides violating Noether's theorem, the multiple-paths theory is based solely on probability calculations. Probability calculations by themselves cannot possibly represent simultaneous physically real events. None of the reviews of the submitted papers actually refuted the arguments and evidence that was presented. These analyses should therefore be carefully evaluated since the conclusions reached have such important impact in quantum mechanics and quantum information theory.

  10. SU (2) Dirac-Yang-Mills quantum mechanics of spatially constant quark and gluon fields

    NASA Astrophysics Data System (ADS)

    Pavel, H.-P.

    2011-06-01

    The quantum mechanics of spatially constant SU (2) Yang-Mills- and Dirac-fields minimally coupled to each other is investigated as the strong coupling limit of 2-color-QCD. Using a canonical transformation of the quark and gluon fields, which Abelianises the Gauss law constraints to be implemented, the corresponding unconstrained Hamiltonian and total angular momentum are derived. In the same way as this reduces the colored spin-1 gluons to unconstrained colorless spin-0 and spin-2 gluons, it reduces the colored spin-1/2 quarks to unconstrained colorless spin-0 and spin-1 quarks. These however continue to satisfy anti-commutation relations and hence the Pauli-exclusion principle. The obtained unconstrained Hamiltonian is then rewritten into a form, which separates the rotational from the scalar degrees of freedom. In this form the low-energy spectrum can be obtained with high accuracy. As an illustrative example, the spin-0 energy-spectrum of the quark-gluon system is calculated for massless quarks of one flavor. It is found, that only for the case of 4 reduced quarks (half-filling) satisfying the boundary condition of particle-antiparticle C-symmetry, states with energy lower than for the pure-gluon case are obtained. These are the ground state, with an energy about 20% lower than for the pure-gluon case and the formation of a quark condensate, and the sigma-antisigma excitation with an energy about a fifth of that of the first glueball excitation.

  11. Quantum-mechanical treatment of an electron undergoing synchrotron radiation.

    NASA Technical Reports Server (NTRS)

    White, D.

    1972-01-01

    The problem of an electron moving perpendicular to an intense magnetic field is approached from the framework of quantum mechanics. A numerical solution to the related rate equations describing the probabilities of occupation of the electron's energy states is put forth along with the expected errors involved. The quantum-mechanical approach is found to predict a significant amount of energy broadening with time for an initially monoenergetic electron beam entering a region of an intense magnetic field as long as the product of initial energy and magnetic field is of order 50 MG BeV or larger.

  12. A new teaching approach to quantum mechanical tunneling

    NASA Astrophysics Data System (ADS)

    Gilfoyle, G. P.

    1999-09-01

    The transfer matrix method has been used to investigate quantum mechanical tunneling in introductory quantum mechanics. The method is applied first to calculate the transmission coefficient for tunneling through a rectangular barrier and is then extended to the problem of potential barriers of arbitrary shape, in particular, to radioactive decay. This approach uses matrix methods that are accessible to a broader range of undergraduates than other numerical techniques, the connection between the rectangular barrier problem and potential barriers of arbitrary shape is transparent, and it can be readily executed by undergraduates. The classroom experience with this approach is discussed.

  13. Study on a Possible Darwinian Origin of Quantum Mechanics

    NASA Astrophysics Data System (ADS)

    Baladrón, C.

    2011-03-01

    A sketchy subquantum theory deeply influenced by Wheeler's ideas (Am. J. Phys. 51:398-404, 1983) and by the de Broglie-Bohm interpretation (Goldstein in Stanford Encyclopedia of Philosophy, 2006) of quantum mechanics is further analyzed. In this theory a fundamental system is defined as a dual entity formed by bare matter and a methodological probabilistic classical Turing machine. The evolution of the system would be determined by three Darwinian informational regulating principles. Some progress in the derivation of the postulates of quantum mechanics from these regulating principles is reported. The entanglement in a bipartite system is preliminarily considered.

  14. Unstable particles in non-relativistic quantum mechanics?

    SciTech Connect

    Hernandez-Coronado, H.

    2011-10-14

    The Schroedinger equation is up-to-a-phase invariant under the Galilei group. This phase leads to the Bargmann's superselection rule, which forbids the existence of the superposition of states with different mass and implies that unstable particles cannot be described consistently in non-relativistic quantum mechanics (NRQM). In this paper we claim that Bargmann's rule neglects physical effects and that a proper description of non-relativistic quantum mechanics requires to take into account this phase through the Extended Galilei group and the definition of its action on spacetime coordinates.

  15. The uncertainty principle determines the nonlocality of quantum mechanics.

    PubMed

    Oppenheim, Jonathan; Wehner, Stephanie

    2010-11-19

    Two central concepts of quantum mechanics are Heisenberg's uncertainty principle and a subtle form of nonlocality that Einstein famously called "spooky action at a distance." These two fundamental features have thus far been distinct concepts. We show that they are inextricably and quantitatively linked: Quantum mechanics cannot be more nonlocal with measurements that respect the uncertainty principle. In fact, the link between uncertainty and nonlocality holds for all physical theories. More specifically, the degree of nonlocality of any theory is determined by two factors: the strength of the uncertainty principle and the strength of a property called "steering," which determines which states can be prepared at one location given a measurement at another.

  16. Spacetime alternatives in the quantum mechanics of a relativistic particle

    SciTech Connect

    Whelan, J.T. Isaac Newton Institute for Mathematical Sciences, 20 Clarkson Road, Cambridge, CB3 0EH )

    1994-11-15

    Hartle's generalized quantum mechanics formalism is used to examine spacetime coarse grainings, i.e., sets of alternatives defined with respect to a region extended in time as well as space, in the quantum mechanics of a free relativistic particle. For a simple coarse graining and suitable initial conditions, tractable formulas are found for branch wave functions. Despite the nonlocality of the positive-definite version of the Klein-Gordon inner product, which means that nonoverlapping branches are not sufficient to imply decoherence, some initial conditions are found to give decoherence and allow the consistent assignment of probabilities.

  17. PREFACE: Progress in supersymmetric quantum mechanics

    NASA Astrophysics Data System (ADS)

    Aref'eva, I.; Fernández, D. J.; Hussin, V.; Negro, J.; Nieto, L. M.; Samsonov, B. F.

    2004-10-01

    The theory of integrable systems is grounded in the very beginning of theoretical physics: Kepler's system is an integrable system. This field of dynamical systems, where one looks for exact solutions of the equations of motion, has attracted most of the great figures in mathematical physics: Euler, Lagrange, Jacobi, etc. Liouville was the first to formulate the precise mathematical conditions ensuring solvability `by quadrature' of the dynamical equations, and his theorem still lies at the heart of the recent developments. The modern era started about thirty years ago with the systematic formulation of soliton solutions to nonlinear wave equations. Since then, impressive developments arose both for the classical and the quantum theory. Subtle mathematical techniques were devised for the resolution of these theories, relying on algebra (group theory), analysis and algebraic geometry (Riemann theory of surfaces). We therefore clearly see that the theory of integrable systems lies ab initio at a crossing of physics and mathematics, and that the developments of these last thirty years have strengthened this dual character, which makes it into an archetypal domain of mathematical physics. As regards the classical theory, beyond the direct connections to the various domains of classical soliton physics (hydrodynamics, condensed matter physics, laser optics, particle physics, plasma, biology or information coding), one has witnessed in these recent years more unexpected (and for some of them not yet well understood) connections to a priori farther fields of theoretical physics: string theory (through matrix models), topological field theories (two dimensional Yang--Mills, three dimensional Chern--Simons--Witten), or supersymmetric field theories (for instance the correspondence discovered by Seiberg and Witten between classical integrable models and quantum potentials). Quantum integrable theories provide examples of exactly (non perturbatively) solvable physical models

  18. A unified theoretical framework for mapping models for the multi-state Hamiltonian

    NASA Astrophysics Data System (ADS)

    Liu, Jian

    2016-11-01

    We propose a new unified theoretical framework to construct equivalent representations of the multi-state Hamiltonian operator and present several approaches for the mapping onto the Cartesian phase space. After mapping an F-dimensional Hamiltonian onto an F+1 dimensional space, creation and annihilation operators are defined such that the F+1 dimensional space is complete for any combined excitation. Commutation and anti-commutation relations are then naturally derived, which show that the underlying degrees of freedom are neither bosons nor fermions. This sets the scene for developing equivalent expressions of the Hamiltonian operator in quantum mechanics and their classical/semiclassical counterparts. Six mapping models are presented as examples. The framework also offers a novel way to derive such as the well-known Meyer-Miller model.

  19. The nuclear monopole Hamiltonian

    NASA Astrophysics Data System (ADS)

    Duflo, J.; Zuker, A. P.

    1999-05-01

    The monopole Hamiltonian Hm is defined as the part of the interaction that reproduces the average energies of configurations. After separating the bulk contributions, we propose a minimal form for Hm containing six parameters adjusted to reproduce the spectra of particle and hole states on doubly magic cores. The mechanism of shell formation is then explained. The reliability of the parametrization is checked by showing that the predicted particle-hole gaps are consistent with experimental data, and that the monopole matrix elements obtained provide the phenomenological cure made necessary by the bad saturation and shell properties of the realistic NN interaction. Predictions are made for the yet unobserved levels around 132Sn, 22O, 34,42Si, 68,78Ni, and 100Sn and for the particle-hole gaps in these nuclei.

  20. Robust Online Hamiltonian Learning

    NASA Astrophysics Data System (ADS)

    Granade, Christopher; Ferrie, Christopher; Wiebe, Nathan; Cory, David

    2013-05-01

    In this talk, we introduce a machine-learning algorithm for the problem of inferring the dynamical parameters of a quantum system, and discuss this algorithm in the example of estimating the precession frequency of a single qubit in a static field. Our algorithm is designed with practicality in mind by including parameters that control trade-offs between the requirements on computational and experimental resources. The algorithm can be implemented online, during experimental data collection, or can be used as a tool for post-processing. Most importantly, our algorithm is capable of learning Hamiltonian parameters even when the parameters change from experiment-to-experiment, and also when additional noise processes are present and unknown. Finally, we discuss the performance of the our algorithm by appeal to the Cramer-Rao bound. This work was financially supported by the Canadian government through NSERC and CERC and by the United States government through DARPA. NW would like to acknowledge funding from USARO-DTO.

  1. Quantum mechanics concept assessment: Development and validation study

    NASA Astrophysics Data System (ADS)

    Sadaghiani, Homeyra R.; Pollock, Steven J.

    2015-06-01

    As part of an ongoing investigation of students' learning in first semester upper-division quantum mechanics, we needed a high-quality conceptual assessment instrument for comparing outcomes of different curricular approaches. The process of developing such a tool started with converting a preliminary version of a 14-item open-ended quantum mechanics assessment tool (QMAT) to a multiple-choice (MC) format. Further question refinement, development of effective distractors, adding new questions, and robust statistical analysis has led to a 31-item quantum mechanics concept assessment (QMCA) test. The QMCA is used as post-test only to assess students' knowledge about five main topics of quantum measurement: the time-independent Schrödinger equation, wave functions and boundary conditions, time evolution, and probability density. During two years of testing and refinement, the QMCA has been given in alpha (N =61 ) and beta versions (N =263 ) to students in upper division quantum mechanics courses at 11 different institutions with an average post-test score of 54%. By allowing for comparisons of student learning across different populations and institutions, the QMCA provides instructors and researchers a more standard measure of effectiveness of different curricula or teaching strategies on student conceptual understanding of quantum mechanics. In this paper, we discuss the construction of effective distractors and the use of student interviews and expert feedback to revise and validate both questions and distractors. We include the results of common statistical tests of reliability and validity, which suggest the instrument is presently in a stable, usable, and promising form.

  2. Geometric control of quantum mechanical and nonlinear classical systems

    NASA Astrophysics Data System (ADS)

    Nelson, Richard Joseph

    1999-10-01

    Geometric control refers to the judicious use of the non- commuting nature of inputs and natural dynamics as the basis for control. The last few decades in control system theory have seen the application of differential geometry in proving several important properties of systems, including controllability and observability. Until recently, however, the results of this mathematical geometry have rarely been used as the basis for designing and implementing an actual controller. This thesis demonstrates the application of a judicious selection of inputs, so that if the system is proven to be controllable using geometric methods, one can design input sequences using the same geometry. A demonstration of this method is shown in simulating the attitude control of a satellite: a highly non-linear, non- holonomic control problem. Although not a practical method for large re-orientations of a typical satellite, the approach can be applied to other nonlinear systems. The method is also applied to the closed-loop performance of a quantum mechanical system to demonstrate the feasibility of coherent quantum feedback-something impossible using a conventional controller. Finally, the method is applied in the open-loop control of a quantum mechanical system: in this case, the creation of Greenberger-Horne-Zeilinger correlations among the nuclei of an ensemble of alanine molecules in a nuclear magnetic resonance spectrometer. In each case, the data demonstrate the usefulness of a geometric approach to control. In addition to demonstrations of geometric control in practice, the quantum mechanical experiments also demonstrate for the first time peculiar quantum correlations, including GHZ correlations, that have no classical analog. The quantum experiments further establish nuclear magnetic resonance as a viable and accessible testbed of quantum predictions and processes. (Copies available exclusively from MIT Libraries, Rm. 14- 0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax

  3. Canonical form of Hamiltonian matrices

    NASA Astrophysics Data System (ADS)

    Zuker, A. P.; Waha Ndeuna, L.; Nowacki, F.; Caurier, E.

    2001-08-01

    On the basis of shell model simulations, it is conjectured that the Lanczos construction at fixed quantum numbers defines-within fluctuations and behavior very near the origin-smooth canonical matrices whose forms depend on the rank of the Hamiltonian, dimensionality of the vector space, and second and third moments. A framework emerges that amounts to a general Anderson model capable of dealing with ground state properties and strength functions. The smooth forms imply binomial level densities. A simplified approach to canonical thermodynamics is proposed.

  4. How Does Quantum Uncertainty Emerge from Deterministic Bohmian Mechanics?

    NASA Astrophysics Data System (ADS)

    Solé, A.; Oriols, X.; Marian, D.; Zanghì, N.

    2016-10-01

    Bohmian mechanics is a theory that provides a consistent explanation of quantum phenomena in terms of point particles whose motion is guided by the wave function. In this theory, the state of a system of particles is defined by the actual positions of the particles and the wave function of the system; and the state of the system evolves deterministically. Thus, the Bohmian state can be compared with the state in classical mechanics, which is given by the positions and momenta of all the particles, and which also evolves deterministically. However, while in classical mechanics it is usually taken for granted and considered unproblematic that the state is, at least in principle, measurable, this is not the case in Bohmian mechanics. Due to the linearity of the quantum dynamical laws, one essential component of the Bohmian state, the wave function, is not directly measurable. Moreover, it turns out that the measurement of the other component of the state — the positions of the particles — must be mediated by the wave function; a fact that in turn implies that the positions of the particles, though measurable, are constrained by absolute uncertainty. This is the key to understanding how Bohmian mechanics, despite being deterministic, can account for all quantum predictions, including quantum randomness and uncertainty.

  5. Quantum Mechanics, Pattern Recognition, and the Mammalian Brain

    NASA Astrophysics Data System (ADS)

    Chapline, George

    2008-10-01

    Although the usual way of representing Markov processes is time asymmetric, there is a way of describing Markov processes, due to Schrodinger, which is time symmetric. This observation provides a link between quantum mechanics and the layered Bayesian networks that are often used in automated pattern recognition systems. In particular, there is a striking formal similarity between quantum mechanics and a particular type of Bayesian network, the Helmholtz machine, which provides a plausible model for how the mammalian brain recognizes important environmental situations. One interesting aspect of this relationship is that the "wake-sleep" algorithm for training a Helmholtz machine is very similar to the problem of finding the potential for the multi-channel Schrodinger equation. As a practical application of this insight it may be possible to use inverse scattering techniques to study the relationship between human brain wave patterns, pattern recognition, and learning. We also comment on whether there is a relationship between quantum measurements and consciousness.

  6. EDITORIAL: Focus on Mechanical Systems at the Quantum Limit FOCUS ON MECHANICAL SYSTEMS AT THE QUANTUM LIMIT

    NASA Astrophysics Data System (ADS)

    Aspelmeyer, Markus; Schwab, Keith

    2008-09-01

    The last five years have witnessed an amazing development in the field of nano- and micromechanics. What was widely considered fantasy ten years ago is about to become an experimental reality: the quantum regime of mechanical systems is within reach of current experiments. Two factors (among many) have contributed significantly to this situation. As part of the widespread effort into nanoscience and nanofabrication, it is now possible to produce high-quality nanomechanical and micromechanical resonators, spanning length scales of millimetres to nanometres, and frequencies from kilohertz to gigahertz. Researchers coupled these mechanical elements to high-sensitivity actuation and readout systems such as single-electron transistors, quantum dots, atomic point contacts, SQUID loops, high-finesse optical or microwave-cavities etc. Some of these ultra-sensitive readout schemes are in principle capable of detection at the quantum limit and a large part of the experimental effort is at present devoted to achieving this. On the other hand, the fact that the groups working in the field come from various different physics backgrounds—the authors of this editorial are a representative sample—has been a constant source of inspiration for helpful theoretical and experimental tools that have been adapted from other fields to the mechanical realm. To name just one example: ideas from quantum optics have led to the recent demonstration (both in theory and experiment) that coupling a mechanical resonator to a high-finesse optical cavity can be fully analogous to the well-known sideband-resolved laser cooling of ions and hence is capable in principle of cooling a mechanical mode into its quantum ground state. There is no doubt that such interdisciplinarity has been a crucial element for the development of the field. It is interesting to note that a very similar sociological phenomenon occurred earlier in the quantum information community, an area which is deeply enriched by the

  7. The direct reaction field hamiltonian: Analysis of the dispersion term and application to the water dimer

    NASA Astrophysics Data System (ADS)

    Thole, B. T.; Van Duijnen, P. Th.

    1982-10-01

    The induction and dispersion terms obtained from quantum-mechanical calculations with a direct reaction field hamiltonian are compared to second order perturbation theory expressions. The dispersion term is shown to give an upper bound which is a generalization of Alexander's upper bound. The model is illustrated by a calculation on the interactions in the water dimer. The long range Coulomb, induction and dispersion interactions are reasonably reproduced.

  8. 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.

  9. Physics on the boundary between classical and quantum mechanics

    NASA Astrophysics Data System (ADS)

    't Hooft, Gerard

    2014-04-01

    Nature's laws in the domain where relativistic effects, gravitational effects and quantum effects are all comparatively strong are far from understood. This domain is called the Planck scale. Conceivably, a theory can be constructed where the quantum nature of phenomena at such scales can be attributed to something fundamentally simpler. However, arguments that quantum mechanics cannot be explained in terms of any classical theory using only classical logic seem to be based on sound mathematical considerations: there can't be physical laws that require "conspiracy". It may therefore be surprising that there are several explicit quantum systems where these considerations apparently do not apply. In the lecture we will show several such counterexamples. These are quantum models that do have a classical origin. The most curious of these models is superstring theory. This theory is often portrayed as to underly the quantum field theory of the subatomic particles, including the "Standard Model". So now the question is asked: how can this model feature "conspiracy", and how bad is that? Is there conspiracy in the vacuum fluctuations?

  10. METHODOLOGICAL NOTES: Irreversibility in quantum mechanics

    NASA Astrophysics Data System (ADS)

    Kadomtsev, Boris B.

    2003-11-01

    From the Editorial Board. November 9, 2003 would have marked the seventy-fifth birthday of Boris Borisovich Kadomtsev, were he alive. An outstanding theoretical physicist, teacher, and enlightener, a prominent scientist in plasma physics and controlled nuclear fusion, Kadomtsev was also actively involved in science organization activities. In particular, from 1976 until his untimely death on August 19, 1998, Kadomtsev was the Editor-in-Chief of Physics-Uspekhi, and it is owing to his efforts that the journal improved notably during his tenure. Now, the Editorial Board, with gratitude and sorrow, would like to celebrate his birthday and to honor his blessed memory in these pages. There is, however, a rule — indeed an immutable tradition — in the journal that, except for the Personalia section, no anniversary can be marked in any way other than in a scientific publication. This rule was strictly observed under Kadomtsev, and certainly should not be violated now, even when honoring his memory. Fortunately, there is a video which remained of a lecture on modern problems of quantum physics that Kadomtsev delivered on May 12, 1997. Prepared for publication by M B Kadomtsev, the lecture allows the reader to revisit the heritage of B B Kadomtsev, to appreciate his logic in treating this very difficult area of physics, to hear his voice as it were, to recall Boris Borisovich Kadomtsev and to honor his memory.

  11. Efficient Integration of Quantum Mechanical Wave Equations by Unitary Transforms

    SciTech Connect

    Bauke, Heiko; Keitel, Christoph H.

    2009-08-13

    The integration of time dependent quantum mechanical wave equations is a fundamental problem in computational physics and computational chemistry. The energy and momentum spectrum of a wave function imposes fundamental limits on the performance of numerical algorithms for this problem. We demonstrate how unitary transforms can help to surmount these limitations.

  12. Time Symmetric Quantum Mechanics and Causal Classical Physics ?

    NASA Astrophysics Data System (ADS)

    Bopp, Fritz W.

    2017-02-01

    A two boundary quantum mechanics without time ordered causal structure is advocated as consistent theory. The apparent causal structure of usual "near future" macroscopic phenomena is attributed to a cosmological asymmetry and to rules governing the transition between microscopic to macroscopic observations. Our interest is a heuristic understanding of the resulting macroscopic physics.

  13. Quantum-mechanical theory of optomechanical Brillouin cooling

    SciTech Connect

    Tomes, Matthew; Bahl, Gaurav; Carmon, Tal; Marquardt, Florian

    2011-12-15

    We analyze how to exploit Brillouin scattering of light from sound for the purpose of cooling optomechanical devices and present a quantum-mechanical theory for Brillouin cooling. Our analysis shows that significant cooling ratios can be obtained with standard experimental parameters. A further improvement of cooling efficiency is possible by increasing the dissipation of the optical anti-Stokes resonance.

  14. A note on misunderstandings of Piron's axioms for quantum mechanics

    NASA Astrophysics Data System (ADS)

    Foulis, D. J.; Randall, C. H.

    1984-01-01

    Piron's axioms for a realistically interpreted quantum mechanics are analyzed in detail within the context of a formal mathematical structure expressed in the conventional set-theoretic idiom of mathematics. As a result, some of the serious misconceptions that have encouraged recent criticisms of Piron's axioms are exposed.

  15. Equivalent emergence of time dependence in classical and quantum mechanics

    NASA Astrophysics Data System (ADS)

    Briggs, John S.

    2015-05-01

    Beginning with the principle that a closed mechanical composite system is timeless, time can be defined by the regular changes in a suitable position coordinate (clock) in the observing part, when one part of the closed composite observes another part. Translating this scenario into both classical and quantum mechanics allows a transition to be made from a time-independent mechanics for the closed composite to a time-dependent description of the observed part alone. The use of Hamilton-Jacobi theory yields a very close parallel between the derivations in classical and quantum mechanics. The time-dependent equations, Hamilton-Jacobi or Schrödinger, appear as approximations since no observed system is truly closed. The quantum case has an additional feature in the condition that the observing environment must become classical in order to define a real classical time variable. This condition leads to a removal of entanglement engendered by the interaction between the observed system and the observing environment. Comparison is made to the similar emergence of time in quantum gravity theory.

  16. Completeness of the Coulomb Wave Functions in Quantum Mechanics

    ERIC Educational Resources Information Center

    Mukunda, N.

    1978-01-01

    Gives an explicit and elementary proof that the radial energy eigenfunctions for the hydrogen atom in quantum mechanics, bound and scattering states included, form a complete set. The proof uses some properties of the confluent hypergeometric functions and the Cauchy residue theorem from analytic function theory. (Author/GA)

  17. The History of Teaching Quantum Mechanics in Greece

    ERIC Educational Resources Information Center

    Tampakis, Constantin; Skordoulis, Constantin

    2007-01-01

    In this work, our goal is to examine the attitude of the Greek scientific community towards Quantum Mechanics and establish the history of teaching of this theory in Greece. We have examined Physics textbooks written by professors of the University of Athens, as well as records of public speeches, university yearbooks from 1923 to 1970, articles…

  18. Overcoming Misconceptions in Quantum Mechanics with the Time Evolution Operator

    ERIC Educational Resources Information Center

    Quijas, P. C. Garcia; Aguilar, L. M. Arevalo

    2007-01-01

    Recently, there have been many efforts to use the research techniques developed in the field of physics education research to improve the teaching and learning of quantum mechanics. In particular, part of this research is focusing on misconceptions held by students. For instance, a set of misconceptions is associated with the concept of stationary…

  19. Exactly Solvable Quantum Mechanical Potentials: An Alternative Approach.

    ERIC Educational Resources Information Center

    Pronchik, Jeremy N.; Williams, Brian W.

    2003-01-01

    Describes an alternative approach to finding exactly solvable, one-dimensional quantum mechanical potentials. Differs from the usual approach in that instead of starting with a particular potential and seeking solutions to the related Schrodinger equations, it begins with known solutions to second-order ordinary differential equations and seeks to…

  20. Spin and Uncertainty in the Interpretation of Quantum Mechanics.

    ERIC Educational Resources Information Center

    Hestenes, David

    1979-01-01

    Points out that quantum mechanics interpretations, using Heisenberg's Uncertainty Relations for the position and momentum of an electron, have their drawbacks. The interpretations are limited to the Schrodinger theory and fail to take into account either spin or relativity. Shows why spin cannot be ignored. (Author/GA)