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Sample records for spin hamiltonian method

  1. On integrable Hamiltonians for higher spin XXZ chain

    International Nuclear Information System (INIS)

    Bytsko, Andrei G.

    2003-01-01

    Integrable Hamiltonians for higher spin periodic XXZ chains are constructed in terms of the spin generators; explicit examples for spins up to (3/2) are given. Relations between Hamiltonians for some U q (sl 2 )-symmetric and U(1)-symmetric universal r-matrices are studied; their properties are investigated. A certain modification of the higher spin periodic chain Hamiltonian is shown to be an integrable U q (sl 2 )-symmetric Hamiltonian for an open chain

  2. Introduction to thermodynamics of spin models in the Hamiltonian limit

    Energy Technology Data Exchange (ETDEWEB)

    Berche, Bertrand [Groupe M, Laboratoire de Physique des Materiaux, UMR CNRS No 7556, Universite Henri Poincare, Nancy 1, BP 239, F-54506 Vandoeuvre les Nancy, (France); Lopez, Alexander [Instituto Venezolano de Investigaciones CientIficas, Centro de Fisica, Carr. Panamericana, km 11, Altos de Pipe, Aptdo 21827, 1020-A Caracas, (Venezuela)

    2006-01-01

    A didactic description of the thermodynamic properties of classical spin systems is given in terms of their quantum counterpart in the Hamiltonian limit. Emphasis is on the construction of the relevant Hamiltonian and the calculation of thermal averages is explicitly done in the case of small systems described, in Hamiltonian field theory, by small matrices. The targeted students are those of a graduate statistical physics course.

  3. Noncanonical Hamiltonian methods in plasma dynamics

    International Nuclear Information System (INIS)

    Kaufman, A.N.

    1981-11-01

    A Hamiltonian approach to plasma dynamics has numerous advantages over equivalent formulations which ignore the underlying Hamiltonian structure. In addition to achieving a deeper understanding of processes, Hamiltonian methods yield concise expressions (such as the Kubo form for linear susceptibility), greatly shorten the length of calculations, expose relationships (such as between the ponderomotive Hamiltonian and the linear susceptibility), determine invariants in terms of symmetry operations, and cover situations of great generality. In addition, they yield the Poincare invariants, in particular Liouville volume and adiabatic actions

  4. A Direct Method of Hamiltonian Structure

    International Nuclear Information System (INIS)

    Li Qi; Chen Dengyuan; Su Shuhua

    2011-01-01

    A direct method of constructing the Hamiltonian structure of the soliton hierarchy with self-consistent sources is proposed through computing the functional derivative under some constraints. The Hamiltonian functional is related with the conservation densities of the corresponding hierarchy. Three examples and their two reductions are given. (general)

  5. Investigations on the local structure and the spin-Hamiltonian ...

    Indian Academy of Sciences (India)

    2016-07-13

    Jul 13, 2016 ... (2016) 87: 22 c Indian Academy of Sciences. DOI 10.1007/s12043-016-1234-6. Investigations on the local structure and the spin-Hamiltonian parameters for the tetragonal Cu. 2+ centre in ZnGeF6·6H2O crystal. LI CHAO-YING. ∗. , HUANG YING and ZHENG XUE MEI. School of Physics and Electronic ...

  6. Hamiltonian action of spinning particle with gravimagnetic moment

    International Nuclear Information System (INIS)

    Deriglazov, Alexei A; Ramírez, W Guzmán

    2016-01-01

    We develop Hamiltonian variational problem for spinning particle non-minimally interacting with gravity through the gravimagnetic moment κ. For κ = 0 our model yields Mathisson-Papapetrou-Tulczyjew-Dixon (MPTD) equations, the latter show unsatisfactory behavior of MPTD-particle in ultra-relativistic regime: its longitudinal acceleration increases with velocity. κ = 1 yields a modification of MPTD-equations with the reasonable behavior: in the homogeneous fields, both longitudinal acceleration and (covariant) precession of spin-tensor vanish as v→c. (paper)

  7. New Hamiltonians for loop quantum cosmology with arbitrary spin representations

    Science.gov (United States)

    Ben Achour, Jibril; Brahma, Suddhasattwa; Geiller, Marc

    2017-04-01

    In loop quantum cosmology, one has to make a choice of SU(2) irreducible representation in which to compute holonomies and regularize the curvature of the connection. The systematic choice made in the literature is to work in the fundamental representation, and very little is known about the physics associated with higher spin labels. This constitutes an ambiguity of which the understanding, we believe, is fundamental for connecting loop quantum cosmology to full theories of quantum gravity like loop quantum gravity, its spin foam formulation, or cosmological group field theory. We take a step in this direction by providing here a new closed formula for the Hamiltonian of flat Friedmann-Lemaître-Robertson-Walker models regularized in a representation of arbitrary spin. This expression is furthermore polynomial in the basic variables which correspond to well-defined operators in the quantum theory, takes into account the so-called inverse-volume corrections, and treats in a unified way two different regularization schemes for the curvature. After studying the effective classical dynamics corresponding to single and multiple-spin Hamiltonians, we study the behavior of the critical density when the number of representations is increased and the stability of the difference equations in the quantum theory.

  8. Effective Hamiltonian for 2-dimensional arbitrary spin Ising model

    International Nuclear Information System (INIS)

    Sznajd, J.; Polska Akademia Nauk, Wroclaw. Inst. Niskich Temperatur i Badan Strukturalnych)

    1983-08-01

    The method of the reduction of the generalized arbitrary-spin 2-dimensional Ising model to spin-half Ising model is presented. The method is demonstrated in detail by calculating the effective interaction constants to the third order in cumulant expansion for the triangular spin-1 Ising model (the Blume-Emery-Griffiths model). (author)

  9. Twisted spin Sutherland models from quantum Hamiltonian reduction

    International Nuclear Information System (INIS)

    Feher, L; Pusztai, B G

    2008-01-01

    Recent general results on Hamiltonian reductions under polar group actions are applied to study some reductions of the free particle governed by the Laplace-Beltrami operator of a compact, connected, simple Lie group. The reduced systems associated with arbitrary finite-dimensional irreducible representations of the group by using the symmetry induced by twisted conjugations are described in detail. These systems generically yield integrable Sutherland-type many-body models with spin, which are called twisted spin Sutherland models if the underlying twisted conjugations are built on non-trivial Dynkin diagram automorphisms. The spectra of these models can be calculated, in principle, by solving certain Clebsch-Gordan problems, and the result is presented for the models associated with the symmetric tensorial powers of the defining representation of SU(N)

  10. Effective Floquet Hamiltonian for spin I = 1 in magic angle spinning ...

    Indian Academy of Sciences (India)

    WINTEC

    Floquet Hamiltonians; contact transformations in NMR; Spin-1 MAS NMR; effective Ham- iltonians. 1. Introduction. Solid state nuclear magnetic resonance spectroscopy is an important technique to study structures, dyna- mics and electric charge distribution around nuclei in solids. It is also more difficult to perform and ana-.

  11. An inversion-relaxation approach for sampling stationary points of spin model Hamiltonians

    International Nuclear Information System (INIS)

    Hughes, Ciaran; Mehta, Dhagash; Wales, David J.

    2014-01-01

    Sampling the stationary points of a complicated potential energy landscape is a challenging problem. Here, we introduce a sampling method based on relaxation from stationary points of the highest index of the Hessian matrix. We illustrate how this approach can find all the stationary points for potentials or Hamiltonians bounded from above, which includes a large class of important spin models, and we show that it is far more efficient than previous methods. For potentials unbounded from above, the relaxation part of the method is still efficient in finding minima and transition states, which are usually the primary focus of attention for atomistic systems

  12. Diagonalization of Hamiltonian; Diagonalization of Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Garrido, L M; Pascual, P

    1960-07-01

    We present a general method to diagonalized the Hamiltonian of particles of arbitrary spin. In particular we study the cases of spin 0,1/2, 1 and see that for spin 1/2 our transformation agrees with Foldy's and obtain the expression for different observables for particles of spin C and 1 in the new representation. (Author) 7 refs.

  13. A covariant formulation of the relativistic Hamiltonian theory on the light cone (fields with spin)

    International Nuclear Information System (INIS)

    Atakishiev, N.M.; Mir-Kasimov, R.M.; Nagiyev, Sh.M.

    1978-01-01

    A Hamiltonian formulation of quantum field theory on the light cone, developed earlier, is extended to the case of particles with spin. The singularities accompanying each field theory in light-front variables are removed by the introduction of an infinite number of counterterms of a new type, which can be included into the interaction Hamiltonian. A three-dimensional diagram technique is formulated, which is applied to calculate the fermion self-energy in the lowest order of perturbation theory

  14. Numerical Investigations of Post-Newtonian Hamiltonian Dynamics for Spinning Compact Binaries

    Science.gov (United States)

    Zhong, S. Y.

    2012-03-01

    Spinning compact binaries, consisting of neutron stars or black holes, not only have rich dynamic phenomena of resonance and chaos, but also are the most promising source for detecting gravitational waves. There should be a certain relation between the dynamics of the gravitational bodies and the gravitational waveforms. Based on the least-squares correction, several manifold correction schemes like the single-scaling method and the dual-scaling method are designed to suppress numerical errors from 6 integrals of motion in a conservative post-Newtonian (PN) Hamiltonian of spinning compact binaries. Taking a fifth order Runge-Kutta algorithm as a basic integrator, we wonder whether the PN contributions, the spin effects, and the classification of orbits exert some influences on these correction schemes and the Nacozy's approach. It is found that they are almost the same in correcting the integrals for the pure Kepler problem. Once the third-order PN contributions are added to the pure orbital part, there are explicit differences of correction effectiveness among these methods. As an interesting case, the efficiency of correction is better for chaotic eccentric orbits than for quasicircular regular ones. In all cases tested, the new momentum-position dual-scaling scheme does always have the optimal performance. It costs a little but not much expensive additional computational cost when the spin effects exist, and several time-saving techniques are used. The corrected numerical results are more accurate than the uncorrected ones, so that chaos from the numerical errors can be avoided. See Phys. Rev. D 81, 104037 (2010) for more details. Lubich et al. (Phys. Rev. D 81, 104025 (2010)) presented a noncanonically symplectic integrator for the PN Hamiltonian of a spinning compact binary. However, the Euler mixed integrator is problematic because of its bad numerical stability.We improved the work by constructing the second-order and the fourth-order fixed symplectic

  15. On domain wall boundary conditions for the XXZ spin Hamiltonian

    DEFF Research Database (Denmark)

    Orlando, Domenico; Reffert, Susanne; Reshetikhin, Nicolai

    In this note, we derive the spectrum of the infinite quantum XXZ spin chain with domain wall boundary conditions. The eigenstates are constructed as limits of Bethe states for the finite XXZ spin chain with quantum sl(2) invariant boundary conditions....

  16. Noncanonical Hamiltonian methods in plasma dynamics

    International Nuclear Information System (INIS)

    Kaufman, A.N.

    1982-01-01

    A Hamiltonian approach to plasma dynamics is described. The Poisson bracket of two observables g 1 and g 2 is given by using an antisymmetric tensor J, and must satisfy the Jacobi condition. The J can be obtained by elementary tensor analysis. The evolution in time of an observable g is given in terms of the Poisson bracket and a Hamiltonian H(Z). The guiding-center description of particle motion was presented by Littlejohn. The ponderomotive drift and force, the wave-induced oscillation-center velocity, and the gyrofrequency shift are obtained. The Lie transform yields the wave-induced increment to the gyromomentum. In the coulomb model for a Vlasov system, the dynamical variable is the Vlasov distribution f(z). The Hamiltonian functional and the Poisson bracket are obtained. The coupling of f(z) to the Maxwell field appears in the Poisson bracket. The evolution equation yields the Vlasov-Maxwell system. (Kato, T.)

  17. Calculations of the electronic levels, spin-Hamiltonian parameters and vibrational spectra for the CrCl{sub 3} layered crystals

    Energy Technology Data Exchange (ETDEWEB)

    Avram, C.N. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Gruia, A.S., E-mail: adigruia@yahoo.com [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Barb, A.M. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania)

    2015-12-01

    Calculations of the Cr{sup 3+} energy levels, spin-Hamiltonian parameters and vibrational spectra for the layered CrCl{sub 3} crystals are reported for the first time. The crystal field parameters and the energy level scheme were calculated in the framework of the Exchange Charge Model of crystal field. The spin-Hamiltonian parameters (zero-field splitting parameter D and g-factors) for Cr{sup 3+} ion in CrCl{sub 3} crystals were obtained using two independent techniques: i) semi-empirical crystal field theory and ii) density functional theory (DFT)-based model. In the first approach, the spin-Hamiltonian parameters were calculated from the perturbation theory method and the complete diagonalization (of energy matrix) method. The infrared (IR) and Raman frequencies were calculated for both experimental and fully optimized geometry of the crystal structure, using CRYSTAL09 software. The obtained results are discussed and compared with the experimental available data.

  18. Exact solution of the Schroedinger equation with the spin-boson Hamiltonian

    International Nuclear Information System (INIS)

    Gardas, Bartlomiej

    2011-01-01

    We address the problem of obtaining the exact reduced dynamics of the spin-half (qubit) immersed within the bosonic bath (environment). An exact solution of the Schroedinger equation with the paradigmatic spin-boson Hamiltonian is obtained. We believe that this result is a major step ahead and may ultimately contribute to the complete resolution of the problem in question. We also construct the constant of motion for the spin-boson system. In contrast to the standard techniques available within the framework of the open quantum systems theory, our analysis is based on the theory of block operator matrices.

  19. Action-minimizing methods in Hamiltonian dynamics

    CERN Document Server

    Sorrentino, Alfonso

    2015-01-01

    John Mather's seminal works in Hamiltonian dynamics represent some of the most important contributions to our understanding of the complex balance between stable and unstable motions in classical mechanics. His novel approach-known as Aubry-Mather theory-singles out the existence of special orbits and invariant measures of the system, which possess a very rich dynamical and geometric structure. In particular, the associated invariant sets play a leading role in determining the global dynamics of the system. This book provides a comprehensive introduction to Mather's theory, and can serve as a

  20. Gauge-invariant variational methods for Hamiltonian lattice gauge theories

    International Nuclear Information System (INIS)

    Horn, D.; Weinstein, M.

    1982-01-01

    This paper develops variational methods for calculating the ground-state and excited-state spectrum of Hamiltonian lattice gauge theories defined in the A 0 = 0 gauge. The scheme introduced in this paper has the advantage of allowing one to convert more familiar tools such as mean-field, Hartree-Fock, and real-space renormalization-group approximation, which are by their very nature gauge-noninvariant methods, into fully gauge-invariant techniques. We show that these methods apply in the same way to both Abelian and non-Abelian theories, and that they are at least powerful enough to describe correctly the physics of periodic quantum electrodynamics (PQED) in (2+1) and (3+1) space-time dimensions. This paper formulates the problem for both Abelian and non-Abelian theories and shows how to reduce the Rayleigh-Ritz problem to that of computing the partition function of a classical spin system. We discuss the evaluation of the effective spin problem which one derives the PQED and then discuss ways of carrying out the evaluation of the partition function for the system equivalent to a non-Abelian theory. The explicit form of the effective partition function for the non-Abelian theory is derived, but because the evaluation of this function is considerably more complicated than the one derived in the Abelian theory no explicit evaluation of this function is presented. However, by comparing the gauge-projected Hartree-Fock wave function for PQED with that of the pure SU(2) gauge theory, we are able to show that extremely interesting differences emerge between these theories even at this simple level. We close with a discussion of fermions and a discussion of how one can extend these ideas to allow the computation of the glueball and hadron spectrum

  1. Effective Floquet Hamiltonian theory of multiple-quantum NMR in anisotropic solids involving quadrupolar spins: Challenges and Perspectives

    Science.gov (United States)

    Ganapathy, Vinay; Ramachandran, Ramesh

    2017-10-01

    The response of a quadrupolar nucleus (nuclear spin with I > 1/2) to an oscillating radio-frequency pulse/field is delicately dependent on the ratio of the quadrupolar coupling constant to the amplitude of the pulse in addition to its duration and oscillating frequency. Consequently, analytic description of the excitation process in the density operator formalism has remained less transparent within existing theoretical frameworks. As an alternative, the utility of the "concept of effective Floquet Hamiltonians" is explored in the present study to explicate the nuances of the excitation process in multilevel systems. Employing spin I = 3/2 as a case study, a unified theoretical framework for describing the excitation of multiple-quantum transitions in static isotropic and anisotropic solids is proposed within the framework of perturbation theory. The challenges resulting from the anisotropic nature of the quadrupolar interactions are addressed within the effective Hamiltonian framework. The possible role of the various interaction frames on the convergence of the perturbation corrections is discussed along with a proposal for a "hybrid method" for describing the excitation process in anisotropic solids. Employing suitable model systems, the validity of the proposed hybrid method is substantiated through a rigorous comparison between simulations emerging from exact numerical and analytic methods.

  2. Equivalence of ADM Hamiltonian and Effective Field Theory approaches at next-to-next-to-leading order spin1-spin2 coupling of binary inspirals

    Energy Technology Data Exchange (ETDEWEB)

    Levi, Michele [Institut d' Astrophysique de Paris, Université Pierre et Marie Curie, CNRS-UMR 7095, 98 bis Boulevard Arago, 75014 Paris (France); Steinhoff, Jan, E-mail: michele.levi@upmc.fr, E-mail: jan.steinhoff@ist.utl.pt [Centro Multidisciplinar de Astrofisica, Instituto Superior Tecnico, Universidade de Lisboa, Avenida Rovisco Pais 1, 1049-001 Lisboa (Portugal)

    2014-12-01

    The next-to-next-to-leading order spin1-spin2 potential for an inspiralling binary, that is essential for accuracy to fourth post-Newtonian order, if both components in the binary are spinning rapidly, has been recently derived independently via the ADM Hamiltonian and the Effective Field Theory approaches, using different gauges and variables. Here we show the complete physical equivalence of the two results, thereby we first prove the equivalence of the ADM Hamiltonian and the Effective Field Theory approaches at next-to-next-to-leading order with the inclusion of spins. The main difficulty in the spinning sectors, which also prescribes the manner in which the comparison of the two results is tackled here, is the existence of redundant unphysical spin degrees of freedom, associated with the spin gauge choice of a point within the extended spinning object for its representative worldline. After gauge fixing and eliminating the unphysical degrees of freedom of the spin and its conjugate at the level of the action, we arrive at curved spacetime generalizations of the Newton-Wigner variables in closed form, which can also be used to obtain further Hamiltonians, based on an Effective Field Theory formulation and computation. Finally, we make use of our validated result to provide gauge invariant relations among the binding energy, angular momentum, and orbital frequency of an inspiralling binary with generic compact spinning components to fourth post-Newtonian order, including all known sectors up to date.

  3. Optimal control methods for rapidly time-varying Hamiltonians

    International Nuclear Information System (INIS)

    Motzoi, F.; Merkel, S. T.; Wilhelm, F. K.; Gambetta, J. M.

    2011-01-01

    In this article, we develop a numerical method to find optimal control pulses that accounts for the separation of timescales between the variation of the input control fields and the applied Hamiltonian. In traditional numerical optimization methods, these timescales are treated as being the same. While this approximation has had much success, in applications where the input controls are filtered substantially or mixed with a fast carrier, the resulting optimized pulses have little relation to the applied physical fields. Our technique remains numerically efficient in that the dimension of our search space is only dependent on the variation of the input control fields, while our simulation of the quantum evolution is accurate on the timescale of the fast variation in the applied Hamiltonian.

  4. Optimized t-expansion method for the Rabi Hamiltonian

    International Nuclear Information System (INIS)

    Travenec, Igor; Samaj, Ladislav

    2011-01-01

    A polemic arose recently about the applicability of the t-expansion method to the calculation of the ground state energy E 0 of the Rabi model. For specific choices of the trial function and very large number of involved connected moments, the t-expansion results are rather poor and exhibit considerable oscillations. In this Letter, we formulate the t-expansion method for trial functions containing two free parameters which capture two exactly solvable limits of the Rabi Hamiltonian. At each order of the t-series, E 0 is assumed to be stationary with respect to the free parameters. A high accuracy of E 0 estimates is achieved for small numbers (5 or 6) of involved connected moments, the relative error being smaller than 10 -4 (0.01%) within the whole parameter space of the Rabi Hamiltonian. A special symmetrization of the trial function enables us to calculate also the first excited energy E 1 , with the relative error smaller than 10 -2 (1%). -- Highlights: → We study the ground state energy of the Rabi Hamiltonian. → We use the t-expansion method with an optimized trial function. → High accuracy of estimates is achieved, the relative error being smaller than 0.01%. → The calculation of the first excited state energy is made. The method has a general applicability.

  5. Spin-spin cross relaxation and spin-Hamiltonian spectroscopy by optical pumping of Pr/sup 3+/:LaF3

    International Nuclear Information System (INIS)

    Lukac, M.; Otto, F.W.; Hahn, E.L.

    1989-01-01

    We report the observation of an anticrossing in solid-state laser spectroscopy produced by cross relaxation. Spin-spin cross relaxation between the /sup 141/Pr- and /sup 19/F-spin reservoirs in Pr/sup 3+/:LaF 3 and its influence on the /sup 141/Pr NMR spectrum is detected by means of optical pumping. The technique employed combines optical pumping and hole burning with either external magnetic field sweep or rf resonance saturation in order to produce slow transient changes in resonant laser transmission. At a certain value of the external Zeeman field, where the energy-level splittings of Pr and F spins match, a level repulsion and discontinuity of the Pr/sup 3+/ NMR lines is observed. This effect is interpreted as the ''anticrossing'' of the combined Pr-F spin-spin reservoir energy states. The Zeeman-quadrupole-Hamiltonian spectrum of the hyperfine optical ground states of Pr/sup 3+/:LaF 3 is mapped out over a wide range of Zeeman magnetic fields. A new scheme is proposed for dynamic polarization of nuclei by means of optical pumping, based on resonant cross relaxation between rare spins and spin reservoirs

  6. Theoretical studies of spin-Hamiltonian parameters of Mo{sup 5+} ion doped in K{sub 2}SnCl{sub 6} crystal

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Wang, E-mail: mailfangwang@163.com; Yang, Da-Xiao; Chen, Heng-Jie; Tang, Hai-Yan

    2013-11-15

    The spin-Hamiltonian (SH) parameters (g factors g{sub //}, g{sub ⊥} and hyperfine structure constants A{sub //}, A{sub ⊥} ) of K{sub 2}SnCl{sub 6}: Mo{sup 5+} (4d{sup 1}) crystal are theoretically studied by the use of two microscopic spin-Hamiltonian (SH) methods, the high-order perturbation theory method (PTM) and the complete diagonalization (of energy matrix) method (CDM) within the molecular orbital (MO) scheme. The contributions arising both from the crystal field and charge transfer excitations are taken into account. The investigations show that the charge transfer mechanism plays a decisive role in the understanding of the spin-Hamiltonian (SH) parameters for 4d{sup 1} ions in crystals with the strong coordinate covalence, especially for g{sub //}>g{sub ⊥} which cannot be explained in the frame work of traditional crystal field approximation (CFA). The local defect structure around Mo{sup 5+} impurity ion center is determined to be D{sub 4} {sub h} point group symmetry.

  7. New classes of nonlinear vector coherent states of generalized spin-orbit Hamiltonians

    International Nuclear Information System (INIS)

    Geloun, Joseph Ben; Norbert Hounkonnou, Mahouton

    2009-01-01

    This paper deals with an extension of our previous work (Ben Geloun and Hounkonnou 2007 J. Phys. A: Math. Theor. 40 F817) by considering an alternative construction of canonical and deformed vector coherent states (VCSs) of the Gazeau-Klauder type associated with generalized spin-orbit Hamiltonians. We define an annihilation operator which takes into account the finite-dimensional space of states induced by the k-photon transition processes of the two-level atom interacting with the single-mode radiation field. The class of nonlinear VCSs (NVCSs) corresponding to the action of the annihilation operator is deduced and expressed in terms of generalized displacement operators. Various NVCSs including their 'dual' counterparts are also discussed. Also, by using the Hilbert space structure, a new family of NVCSs parametrized by unit vectors of the S 3 sphere has been identified without making use of the annihilation operator.

  8. Curci-Ferrari-type condition in Hamiltonian formalism: A free spinning relativistic particle

    Science.gov (United States)

    Shukla, A.; Bhanja, T.; Malik, R. P.

    2013-03-01

    The Curci-Ferrari (CF)-type restriction emerges in the description of a free spinning relativistic particle within the framework of the Becchi-Rouet-Stora-Tyutin (BRST) formalism when the off-shell nilpotent and absolutely anticommuting (anti-)BRST symmetry transformations for this system are derived from the application of the horizontality condition (HC) and its supersymmetric generalization (SUSY-HC) within the framework of the superfield formalism. We show that the above CF condition, which turns out to be the secondary constraint of our present theory, remains time-evolution invariant within the framework of Hamiltonian formalism. This time-evolution invariance i) physically justifies the imposition of the (anti-)BRST invariant CF-type condition on this system, and ii) mathematically implies the linear independence of BRST and anti-BRST symmetries of our present theory.

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

    Science.gov (United States)

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

    2015-11-01

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

  10. Theory and applications of generalized operator transforms for diagonalization of spin hamiltonians

    International Nuclear Information System (INIS)

    Schweiger, A.; Graf, F.; Rist, G.; Guenthard, Hs.H.

    1976-01-01

    A generalized transform formalism for vector operators is devised for diagonalization of a rather wide class of spin hamiltonians. The operator technique leads to equations for transformation matrices, for which analytical solutions are given. These allow analytical formulation of the transformed electron Zeeman term, the sum of the magnetic hyperfine and nuclear Zeeman term, the electric quadrupole term and the electronic and nuclear Zeeman coupling terms. The angular dependence of energy eigenvalues, frequencies and line strengths of ESR and ENDOR transitions to first order will be expressed as compact bilinear and quadratic forms of the columns of the matrix relating the molecular coordinate system to the laboratory system. Thereby the explicit calculation of rotation matrices may be completely avoided, though the latter formally express the operator transforms. The generalized operator transform is also carried out for the off-diagonal blocks originating from hyperfine interaction terms. This allows the second order energy terms to be expressed explicitly as compact hermitean forms of a simple structure, in particular the explicit structure of mixing terms between hyperfine interactions of different (sets of) nuclei is obtained. The relationship to the conventional Bleaney transform is discussed and the analogy to the generalized operator transform is worked out. (Auth.)

  11. The technique of the modified hamiltonian for construction of the spin-projected wave function

    International Nuclear Information System (INIS)

    Tsaune, A.Ya.; Glushkov, V.N.

    1991-01-01

    A method is suggested to construct the wave function, which is an eigenfunction for operator S 2 . A combination of Lowdin's projection operators and the method of taking into account the orthogonality conditions in variational problems previously developed by the authors is used for determination of the spin-current wave functions component. It is shown that the suggested method gives better results for the energies that the traditional restricted Hartee-Fock scheme

  12. Moment methods with effective nuclear Hamiltonians; calculations of radial moments

    International Nuclear Information System (INIS)

    Belehrad, R.H.

    1981-02-01

    A truncated orthogonal polynomial expansion is used to evaluate the expectation value of the radial moments of the one-body density of nuclei. The expansion contains the configuration moments, , , and 2 >, where R/sup (k)/ is the operator for the k-th power of the radial coordinate r, and H is the effective nuclear Hamiltonian which is the sum of the relative kinetic energy operator and the Bruckner G matrix. Configuration moments are calculated using trace reduction formulae where the proton and neutron orbitals are treated separately in order to find expectation values of good total isospin. The operator averages are taken over many-body shell model states in the harmonic oscillator basis where all particles are active and single-particle orbitals through six major shells are included. The radial moment expectation values are calculated for the nuclei 16 O, 40 Ca, and 58 Ni and find that is usually the largest term in the expansion giving a large model space dependence to the results. For each of the 3 nuclei, a model space is found which gives the desired rms radius and then we find that the other 5 lowest moments compare favorably with other theoretical predictions. Finally, we use a method of Gordon (5) to employ the lowest 6 radial moment expectation values in the calculation of elastic electron scattering from these nuclei. For low to moderate momentum transfer, the results compare favorably with the experimental data

  13. Variational and penalization methods for studying connecting orbits of Hamiltonian systems

    Directory of Open Access Journals (Sweden)

    Chao-Nien Chen

    2000-08-01

    Full Text Available In this article, we consider a class of second order Hamiltonian systems that possess infinite or finite number of equilibria. Variational arguments will be used to study the existence of connecting orbits joining pairs of equilibria. Applying penalization methods, we obtain various patterns for multibump homoclinics and heteroclinics of Hamiltonian systems.

  14. Higher-order Zeeman and spin terms in the electron paramagnetic resonance spin Hamiltonian; their description in irreducible form using Cartesian, tesseral spherical tensor and Stevens' operator expressions

    International Nuclear Information System (INIS)

    McGavin, Dennis G; Tennant, W Craighead

    2009-01-01

    In setting up a spin Hamiltonian (SH) to study high-spin Zeeman and high-spin nuclear and/or electronic interactions in electron paramagnetic resonance (EPR) experiments, it is argued that a maximally reduced SH (MRSH) framed in tesseral combinations of spherical tensor operators is necessary. Then, the SH contains only those terms that are necessary and sufficient to describe the particular spin system. The paper proceeds then to obtain interrelationships between the parameters of the MRSH and those of alternative SHs expressed in Cartesian tensor and Stevens operator-equivalent forms. The examples taken, initially, are those of Cartesian and Stevens' expressions for high-spin Zeeman terms of dimension BS 3 and BS 5 . Starting from the well-known decomposition of the general Cartesian tensor of second rank to three irreducible tensors of ranks 0, 1 and 2, the decomposition of Cartesian tensors of ranks 4 and 6 are treated similarly. Next, following a generalization of the tesseral spherical tensor equations, the interrelationships amongst the parameters of the three kinds of expressions, as derived from equivalent SHs, are determined and detailed tables, including all redundancy equations, set out. In each of these cases the lowest symmetry, 1-bar Laue class, is assumed and then examples of relationships for specific higher symmetries derived therefrom. The validity of a spin Hamiltonian containing mixtures of terms from the three expressions is considered in some detail for several specific symmetries, including again the lowest symmetry. Finally, we address the application of some of the relationships derived here to seldom-observed low-symmetry effects in EPR spectra, when high-spin electronic and nuclear interactions are present.

  15. Hamiltonian reduction of SU(2) Yang-Mills field theory

    International Nuclear Information System (INIS)

    Khvedelidze, A.M.; Pavel, H.-P.

    1998-01-01

    The unconstrained system equivalent to SU (2) Yang-Mills field theory is obtained in the framework of the generalized Hamiltonian formalism using the method of Hamiltonian reduction. The reduced system is expressed in terms of fields with 'nonrelativistic' spin-0 and spin-2

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-11-15

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

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

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

    International Nuclear Information System (INIS)

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

    2006-01-01

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

  20. Divide and conquer method for proving gaps of frustration free Hamiltonians

    DEFF Research Database (Denmark)

    Kastoryano, Michael J.; Lucia, Angelo

    2018-01-01

    Providing system-size independent lower bounds on the spectral gap of local Hamiltonian is in general a hard problem. For the case of finite-range, frustration free Hamiltonians on a spin lattice of arbitrary dimension, we show that a property of the ground state space is sufficient to obtain...... such a bound. We furthermore show that such a condition is necessary and equivalent to a constant spectral gap. Thanks to this equivalence, we can prove that for gapless models in any dimension, the spectral gap on regions of diameter $n$ is at most $o\\left(\\frac{\\log(n)^{2+\\epsilon}}{n}\\right)$ for any...... positive $\\epsilon$....

  1. The generalized Mayer theorem in the approximating hamiltonian method

    International Nuclear Information System (INIS)

    Bakulev, A.P.; Bogoliubov, N.N. Jr.; Kurbatov, A.M.

    1982-07-01

    With the help of the generalized Mayer theorem we obtain the improved inequality for free energies of model and approximating systems, where only ''connected parts'' over the approximating hamiltonian are taken into account. For the concrete system we discuss the problem of convergency of appropriate series of ''connected parts''. (author)

  2. Symplectic Integrators to Stochastic Hamiltonian Dynamical Systems Derived from Composition Methods

    Directory of Open Access Journals (Sweden)

    Tetsuya Misawa

    2010-01-01

    Full Text Available “Symplectic” schemes for stochastic Hamiltonian dynamical systems are formulated through “composition methods (or operator splitting methods” proposed by Misawa (2001. In the proposed methods, a symplectic map, which is given by the solution of a stochastic Hamiltonian system, is approximated by composition of the stochastic flows derived from simpler Hamiltonian vector fields. The global error orders of the numerical schemes derived from the stochastic composition methods are provided. To examine the superiority of the new schemes, some illustrative numerical simulations on the basis of the proposed schemes are carried out for a stochastic harmonic oscillator system.

  3. Nonperturbative stochastic method for driven spin-boson model

    Science.gov (United States)

    Orth, Peter P.; Imambekov, Adilet; Le Hur, Karyn

    2013-01-01

    We introduce and apply a numerically exact method for investigating the real-time dissipative dynamics of quantum impurities embedded in a macroscopic environment beyond the weak-coupling limit. We focus on the spin-boson Hamiltonian that describes a two-level system interacting with a bosonic bath of harmonic oscillators. This model is archetypal for investigating dissipation in quantum systems, and tunable experimental realizations exist in mesoscopic and cold-atom systems. It finds abundant applications in physics ranging from the study of decoherence in quantum computing and quantum optics to extended dynamical mean-field theory. Starting from the real-time Feynman-Vernon path integral, we derive an exact stochastic Schrödinger equation that allows us to compute the full spin density matrix and spin-spin correlation functions beyond weak coupling. We greatly extend our earlier work [P. P. Orth, A. Imambekov, and K. Le Hur, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.032118 82, 032118 (2010)] by fleshing out the core concepts of the method and by presenting a number of interesting applications. Methodologically, we present an analogy between the dissipative dynamics of a quantum spin and that of a classical spin in a random magnetic field. This analogy is used to recover the well-known noninteracting-blip approximation in the weak-coupling limit. We explain in detail how to compute spin-spin autocorrelation functions. As interesting applications of our method, we explore the non-Markovian effects of the initial spin-bath preparation on the dynamics of the coherence σx(t) and of σz(t) under a Landau-Zener sweep of the bias field. We also compute to a high precision the asymptotic long-time dynamics of σz(t) without bias and demonstrate the wide applicability of our approach by calculating the spin dynamics at nonzero bias and different temperatures.

  4. A possible method for non-Hermitian and Non-PT-symmetric Hamiltonian systems.

    Directory of Open Access Journals (Sweden)

    Jun-Qing Li

    Full Text Available A possible method to investigate non-Hermitian Hamiltonians is suggested through finding a Hermitian operator η+ and defining the annihilation and creation operators to be η+ -pseudo-Hermitian adjoint to each other. The operator η+ represents the η+ -pseudo-Hermiticity of Hamiltonians. As an example, a non-Hermitian and non-PT-symmetric Hamiltonian with imaginary linear coordinate and linear momentum terms is constructed and analyzed in detail. The operator η+ is found, based on which, a real spectrum and a positive-definite inner product, together with the probability explanation of wave functions, the orthogonality of eigenstates, and the unitarity of time evolution, are obtained for the non-Hermitian and non-PT-symmetric Hamiltonian. Moreover, this Hamiltonian turns out to be coupled when it is extended to the canonical noncommutative space with noncommutative spatial coordinate operators and noncommutative momentum operators as well. Our method is applicable to the coupled Hamiltonian. Then the first and second order noncommutative corrections of energy levels are calculated, and in particular the reality of energy spectra, the positive-definiteness of inner products, and the related properties (the probability explanation of wave functions, the orthogonality of eigenstates, and the unitarity of time evolution are found not to be altered by the noncommutativity.

  5. Quasiparticle Breakdown and Spin Hamiltonian of the Frustrated Quantum Pyrochlore Yb2 Ti2 O7 in a Magnetic Field

    Science.gov (United States)

    Thompson, J. D.; McClarty, P. A.; Prabhakaran, D.; Cabrera, I.; Guidi, T.; Coldea, R.

    2017-08-01

    The frustrated pyrochlore magnet Yb2 Ti2 O7 has the remarkable property that it orders magnetically but has no propagating magnons over wide regions of the Brillouin zone. Here we use inelastic neutron scattering to follow how the spectrum evolves in cubic-axis magnetic fields. At high fields we observe, in addition to dispersive magnons, a two-magnon continuum, which grows in intensity upon reducing the field and overlaps with the one-magnon states at intermediate fields leading to strong renormalization of the dispersion relations, and magnon decays. Using heat capacity measurements we find that the low- and high-field regions are smoothly connected with no sharp phase transition, with the spin gap increasing monotonically in field. Through fits to an extensive data set of dispersion relations combined with magnetization measurements, we reevaluate the spin Hamiltonian, finding dominant quantum exchange terms, which we propose are responsible for the anomalously strong fluctuations and quasiparticle breakdown effects observed at low fields.

  6. Quasiparticle Breakdown and Spin Hamiltonian of the Frustrated Quantum Pyrochlore Yb_{2}Ti_{2}O_{7} in a Magnetic Field.

    Science.gov (United States)

    Thompson, J D; McClarty, P A; Prabhakaran, D; Cabrera, I; Guidi, T; Coldea, R

    2017-08-04

    The frustrated pyrochlore magnet Yb_{2}Ti_{2}O_{7} has the remarkable property that it orders magnetically but has no propagating magnons over wide regions of the Brillouin zone. Here we use inelastic neutron scattering to follow how the spectrum evolves in cubic-axis magnetic fields. At high fields we observe, in addition to dispersive magnons, a two-magnon continuum, which grows in intensity upon reducing the field and overlaps with the one-magnon states at intermediate fields leading to strong renormalization of the dispersion relations, and magnon decays. Using heat capacity measurements we find that the low- and high-field regions are smoothly connected with no sharp phase transition, with the spin gap increasing monotonically in field. Through fits to an extensive data set of dispersion relations combined with magnetization measurements, we reevaluate the spin Hamiltonian, finding dominant quantum exchange terms, which we propose are responsible for the anomalously strong fluctuations and quasiparticle breakdown effects observed at low fields.

  7. On the Hamiltonian and Lagrangian formulation of classical dynamics for particles with spin

    NARCIS (Netherlands)

    Ruijgrok, Th.W.; Vlist, H. van der

    The classical mechanics of nonrelativistic particles is generalized by also considering the spin components as canonical variables. Poisson-brackets and canonical transformations are discussed. The Lagrangian equations of motion are given and it is shown how rotational invariance leads to well known

  8. Franck-Condon Factors for Diatomics: Insights and Analysis Using the Fourier Grid Hamiltonian Method

    Science.gov (United States)

    Ghosh, Supriya; Dixit, Mayank Kumar; Bhattacharyya, S. P.; Tembe, B. L.

    2013-01-01

    Franck-Condon factors (FCFs) play a crucial role in determining the intensities of the vibrational bands in electronic transitions. In this article, a relatively simple method to calculate the FCFs is illustrated. An algorithm for the Fourier Grid Hamiltonian (FGH) method for computing the vibrational wave functions and the corresponding energy…

  9. Aspects of higher spin Hamiltonian dynamics: Conformal geometry, duality and charges

    OpenAIRE

    Leonard, Amaury

    2017-01-01

    Nous avons investigué les propriétés des champs de jauge de spin élevé libres à travers une étude de divers aspects de leur dynamique hamiltonienne. Pour des champs se propageant sur un espace-temps plat, les contraintes issues de l'analyse hamiltonienne de ces théories de jauge ont été identifiées et résolues par l'introduction de prépotentiels, dont l'invariance de jauge comprend, de façon intrigante, à la fois des difféomorphismes linéarisés généralisés et des transformations d'échelle de ...

  10. Theoretical Studies of the Spin Hamiltonian Parameters and Local Distortions for Cu2+ in Alkaline Earth Lead Zinc Phosphate Glasses

    Science.gov (United States)

    Wang, Bo-Kun; Wu, Shao-Yi; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian; Teng, Bao-Hua; Wu, Ming-He

    2016-08-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu2+-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d9 cluster. The relative elongation ratios are found to be ρ≈3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu2+-O2- electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Bacontaining copper dopants.

  11. Calculations of spin Hamiltonian parameters and analysis of trigonal distortions in LiSr(Al,Ga)F6:Cr3+ crystals

    International Nuclear Information System (INIS)

    Brik, M.G.; Avram, C.N.; Avram, N.M.

    2006-01-01

    The effective spin-Hamiltonian (SH) parameters (zero-field splitting D and g factors g - parallel and g - perpendicular ) for Cr 3+ ions in LiSr(Al,Ga)F 6 crystals are calculated from the complete high-order perturbation formulae for a d 3 ion. Parameters of trigonal crystal field acting on the Cr 3+ ion are calculated. The magnitude of trigonal distortion of the [CrF 6 ] 3- clusters is related to the experimental measurements of the spin-Hamiltonian parameters in the considered systems. Since in both crystals g parallel perpendicular , [CrF 6 ] 3- clusters undergo an axial compression along the C 3 axis. Experimental values of the hyperfine structure constants A parallel and A perpendicular are used to evaluate the core polarization constant κ for Cr 3+ ion in both crystals

  12. Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+-OI2- defect center in KTaO3 crystal

    International Nuclear Information System (INIS)

    Gnutek, P; Rudowicz, C; Yang, Z Y

    2009-01-01

    The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-splitting (ZFS) parameters D and (a+2F/3), and the Zeeman g factors g || and g perpendicular , are theoretically investigated for the Fe K 3+ -O I 2- center in KTaO 3 crystal. The microscopic SH (MSH) parameters are modeled within the framework of the crystal field (CF) theory employing the CF analysis (CFA) package, which also incorporates the MSH modules. Our approach takes into account the spin-orbit interaction as well as the spin-spin and spin-other-orbit interactions omitted in previous studies. The superposition model (SPM) calculations are carried out to provide input CF parameters for the CFA/MSH package. The combined SPM-CFA/MSH approach is used to consider various structural models for the Fe K 3+ -O I 2- defect center in KTaO 3 . This modeling reveals that the off-center displacement of the Fe 3+ ions, Δ 1 (Fe 3+ ), combined with an inward relaxation of the nearest oxygen ligands, Δ 2 (O 2- ), and the existence of the interstitial oxygen O I 2- give rise to a strong tetragonal crystal field. This finding may explain the large ZFS experimentally observed for the Fe K 3+ -O I 2- center in KTaO 3 . Matching the theoretical MSH predictions with the available structural data as well as electron magnetic resonance (EMR) and optical spectroscopy data enables predicting reasonable ranges of values of Δ 1 (Fe 3+ ) and Δ 2 (O 2- ) as well as the possible location of O I 2- ligands around Fe 3+ ions in KTaO 3 . The defect structure model obtained using the SPM-CFA/MSH approach reproduces very well the ranges of the experimental SH parameters D, g || and g perpendicular and importantly yields not only the correct magnitude of D but also the sign, unlike previous studies. More reliable predictions may be achieved when experimental data on (a+2F/3) and/or crystal field energy levels become available. Comparison of our results with those arising from alternative models existing

  13. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    I develop a variational method for systematic numerical computation of physical quantities -- bound state energies and scattering amplitudes -- in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. I present an algorithm for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. I also show how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. I show how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. I discuss the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, I do not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. I apply the method to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. I describe a computer implementation of the method and present numerical results for simple quantum mechanical systems

  14. Hamiltonian lattice field theory: Computer calculations using variational methods

    International Nuclear Information System (INIS)

    Zako, R.L.

    1991-01-01

    A variational method is developed for systematic numerical computation of physical quantities-bound state energies and scattering amplitudes-in quantum field theory. An infinite-volume, continuum theory is approximated by a theory on a finite spatial lattice, which is amenable to numerical computation. An algorithm is presented for computing approximate energy eigenvalues and eigenstates in the lattice theory and for bounding the resulting errors. It is shown how to select basis states and choose variational parameters in order to minimize errors. The algorithm is based on the Rayleigh-Ritz principle and Kato's generalizations of Temple's formula. The algorithm could be adapted to systems such as atoms and molecules. It is shown how to compute Green's functions from energy eigenvalues and eigenstates in the lattice theory, and relate these to physical (renormalized) coupling constants, bound state energies and Green's functions. Thus one can compute approximate physical quantities in a lattice theory that approximates a quantum field theory with specified physical coupling constants. The author discusses the errors in both approximations. In principle, the errors can be made arbitrarily small by increasing the size of the lattice, decreasing the lattice spacing and computing sufficiently long. Unfortunately, the author does not understand the infinite-volume and continuum limits well enough to quantify errors due to the lattice approximation. Thus the method is currently incomplete. The method is applied to real scalar field theories using a Fock basis of free particle states. All needed quantities can be calculated efficiently with this basis. The generalization to more complicated theories is straightforward. The author describes a computer implementation of the method and present numerical results for simple quantum mechanical systems

  15. Theoretical calculations of spin-Hamiltonian parameters for the rhombic-like Mo5+ centers in KTiOPO4 crystal

    International Nuclear Information System (INIS)

    Yang, Mei; Wen-Chen, Zheng; Hong-Gang, Liu

    2013-01-01

    The spin-Hamiltonian parameters (g factors g i and hyperfine structure constants A i , were i=x, y and z) for Mo 5+ ion occupying the Ti(1) site with approximately rhombic symmetry in KTiOPO 4 crystal are calculated from the high-order perturbation formulas based on the two-mechanism model. In the model, not only the contribution due to the conventional crystal-field (CF) mechanism, but also those due to the charge-transfer (CT) mechanism are included. The six calculated spin-Hamiltonian parameters with four adjustable parameters are in reasonable agreement with the experimental values. The calculations show that for more accurate calculations of spin-Hamiltonian parameters of the high valence d n ions (e.g., Mo 5+ considered here) in crystals, the contribution from CT mechanism, which is ignored in the conventional crystal field theory, should be taken into account. The reasonable crystal field energy levels of Mo 5+ in KTiOPO 4 are also predicted from calculations

  16. Lagrangian-Hamiltonian formalism for the gravitational two-body problem with spin and parametrized post-Newtonian parameters γ and β

    International Nuclear Information System (INIS)

    Barker, B.M.; O'Connell, R.F.

    1976-01-01

    We generalize the Lagrangian and Hamiltonian of our previous work on the gravitational two-body problem with spin by including the parametrized-post-Newtonian parameters γ and β. By this procedure we are able to obtain the precession of the orbit as well as the precession of the spin. Equations of motion corresponding to an arbitrary-spin supplementary condition are also given. Finally we show how the masses of the binary pulsar PSR 1913 + 16 and its companion are related to the orbit and spin precessions. Combining this with a result derivable from the second-order Doppler effect and the gravitational red-shift, we obtain a relation constraining the values that γ and β can take

  17. A new general method for transform canonically a Hamiltonian in another one of a given form

    International Nuclear Information System (INIS)

    Gomez T, A.

    2002-01-01

    The more general method to perform a canonical transformation of a Hamiltonian into another one of a given form is based on the repeated use of the Hamilton-Jacobi equation. This is usually a tedious technique which leads to some particular solutions of the problem. We present a new general method which does not rely on the Hamilton-Jacobi equation and moreover it gives all the possible solutions. (Author)

  18. Bender-Dunne Orthogonal Polynomials, Quasi-Exact Solvability and Asymptotic Iteration Method for Rabi Hamiltonian

    International Nuclear Information System (INIS)

    Yahiaoui, S.-A.; Bentaiba, M.

    2011-01-01

    We present a method for obtaining the quasi-exact solutions of the Rabi Hamiltonian in the framework of the asymptotic iteration method (AIM). The energy eigenvalues, the eigenfunctions and the associated Bender-Dunne orthogonal polynomials are deduced. We show (i) that orthogonal polynomials are generated from the upper limit (i.e., truncation limit) of polynomial solutions deduced from AIM, and (ii) prove to have nonpositive norm. (authors)

  19. On the asymptotic form of the recursion method basis vectors for periodic Hamiltonians

    International Nuclear Information System (INIS)

    O'Reilly, E.P.; Weaire, D.

    1984-01-01

    The authors present the first detailed study of the recursion method basis vectors for the case of a periodic Hamiltonian. In the examples chosen, the probability density scales linearly with n as n → infinity, whenever the local density of states is bounded. Whenever it is unbounded and the recursion coefficients diverge, different scaling behaviour is found. These findings are explained and a scaling relationship between the asymptotic forms of the recursion coefficients and basis vectors is proposed. (author)

  20. A Hamiltonian Monte–Carlo method for Bayesian inference of supermassive black hole binaries

    International Nuclear Information System (INIS)

    Porter, Edward K; Carré, Jérôme

    2014-01-01

    We investigate the use of a Hamiltonian Monte–Carlo to map out the posterior density function for supermassive black hole binaries. While previous Markov Chain Monte–Carlo (MCMC) methods, such as Metropolis–Hastings MCMC, have been successfully employed for a number of different gravitational wave sources, these methods are essentially random walk algorithms. The Hamiltonian Monte–Carlo treats the inverse likelihood surface as a ‘gravitational potential’ and by introducing canonical positions and momenta, dynamically evolves the Markov chain by solving Hamilton's equations of motion. This method is not as widely used as other MCMC algorithms due to the necessity of calculating gradients of the log-likelihood, which for most applications results in a bottleneck that makes the algorithm computationally prohibitive. We circumvent this problem by using accepted initial phase-space trajectory points to analytically fit for each of the individual gradients. Eliminating the waveform generation needed for the numerical derivatives reduces the total number of required templates for a 10 6 iteration chain from ∼10 9 to ∼10 6 . The result is in an implementation of the Hamiltonian Monte–Carlo that is faster, and more efficient by a factor of approximately the dimension of the parameter space, than a Hessian MCMC. (paper)

  1. High spin exotic states and new method for pairing energy

    International Nuclear Information System (INIS)

    Molique, H.

    1996-01-01

    We present a new method called 'PSY-MB', initially developed in the framework of abstract group theory for the solution of the problem of strongly interacting multi-fermionic systems with particular to systems in an external rotating field. The validity of the new method (PSY-MB) is tested on model Hamiltonians. A detailed comparison between the obtained solutions and the exact ones is performed. The new method is used in the study of realistic nuclear Hamiltonians based on the Woods-Saxon potential within the cranking approximation to study the influence of residual monopole pairing interactions in the rare-earth mass region. In parallel with this new technique we present original results obtained with the Woods-Saxon mean-field and the self-consistent Hartree-Fock approximation in order to investigate such exotic effects as octupole deformations and hexadecapole C 4 -polarizing deformations in the framework of high-spin physics. By developing these three approaches in one single work we prepare the ground for the nuclear structure calculations of the new generation - where the residual two-body interactions are taken into account also in the weak pairing limit. (author)

  2. Magnetic moments of light nuclei within the framework of reduced Hamiltonian method

    CERN Document Server

    Deveikis, A

    1998-01-01

    A new procedure for evaluation of magnetic dipole moments of light atomic nuclei has been developed. The procedure presented obeys the principles of antisymmetry and translational invariance and is based on the reduced Hamiltonian method. The theoretical formulation has been illustrated by calculation of magnetic dipole moments for 2 sup H , 3 sup H , 3 sup H e, 4 sup H e, 5 sup H e, 5 sup L i, 11 sup L i, and 6 sup L i nuclei. The calculations were performed in a complete 0(h/2 pi)omega basis. The obtained results are in good agreement with the experimental data. (author)

  3. GPU accelerated manifold correction method for spinning compact binaries

    Science.gov (United States)

    Ran, Chong-xi; Liu, Song; Zhong, Shuang-ying

    2018-04-01

    The graphics processing unit (GPU) acceleration of the manifold correction algorithm based on the compute unified device architecture (CUDA) technology is designed to simulate the dynamic evolution of the Post-Newtonian (PN) Hamiltonian formulation of spinning compact binaries. The feasibility and the efficiency of parallel computation on GPU have been confirmed by various numerical experiments. The numerical comparisons show that the accuracy on GPU execution of manifold corrections method has a good agreement with the execution of codes on merely central processing unit (CPU-based) method. The acceleration ability when the codes are implemented on GPU can increase enormously through the use of shared memory and register optimization techniques without additional hardware costs, implying that the speedup is nearly 13 times as compared with the codes executed on CPU for phase space scan (including 314 × 314 orbits). In addition, GPU-accelerated manifold correction method is used to numerically study how dynamics are affected by the spin-induced quadrupole-monopole interaction for black hole binary system.

  4. The renormalized Hamiltonian truncation method in the large E{sub T} expansion

    Energy Technology Data Exchange (ETDEWEB)

    Elias-Miró, J. [SISSA and INFN, I-34136 Trieste (Italy); Montull, M. [Institut de Física d’Altes Energies (IFAE), Barcelona Institute of Science and Technology (BIST), Campus UAB, E-08193 Bellaterra (Spain); Riembau, M. [Institut de Física d’Altes Energies (IFAE), Barcelona Institute of Science and Technology (BIST), Campus UAB, E-08193 Bellaterra (Spain); DESY, Notkestrasse 85, 22607 Hamburg (Germany)

    2016-04-22

    Hamiltonian Truncation Methods are a useful numerical tool to study strongly coupled QFTs. In this work we present a new method to compute the exact corrections, at any order, in the Hamiltonian Truncation approach presented by Rychkov et al. in refs. http://dx.doi.org/10.1103/PhysRevD.91.085011; http://dx.doi.org/10.1103/PhysRevD.93.065014; http://dx.doi.org/10.1103/PhysRevD.91.025005. The method is general but as an example we calculate the exact g{sup 2} and some of the g{sup 3} contributions for the ϕ{sup 4} theory in two dimensions. The coefficients of the local expansion calculated in ref. http://dx.doi.org/10.1103/PhysRevD.91.085011 are shown to be given by phase space integrals. In addition we find new approximations to speed up the numerical calculations and implement them to compute the lowest energy levels at strong coupling. A simple diagrammatic representation of the corrections and various tests are also introduced.

  5. New Hamiltonian constraint operator for loop quantum gravity

    Directory of Open Access Journals (Sweden)

    Jinsong Yang

    2015-12-01

    Full Text Available A new symmetric Hamiltonian constraint operator is proposed for loop quantum gravity, which is well defined in the Hilbert space of diffeomorphism invariant states up to non-planar vertices with valence higher than three. It inherits the advantage of the original regularization method to create new vertices to the spin networks. The quantum algebra of this Hamiltonian is anomaly-free on shell, and there is less ambiguity in its construction in comparison with the original method. The regularization procedure for this Hamiltonian constraint operator can also be applied to the symmetric model of loop quantum cosmology, which leads to a new quantum dynamics of the cosmological model.

  6. New Hamiltonian constraint operator for loop quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jinsong, E-mail: yangksong@gmail.com [Department of Physics, Guizhou university, Guiyang 550025 (China); Institute of Physics, Academia Sinica, Taiwan (China); Ma, Yongge, E-mail: mayg@bnu.edu.cn [Department of Physics, Beijing Normal University, Beijing 100875 (China)

    2015-12-17

    A new symmetric Hamiltonian constraint operator is proposed for loop quantum gravity, which is well defined in the Hilbert space of diffeomorphism invariant states up to non-planar vertices with valence higher than three. It inherits the advantage of the original regularization method to create new vertices to the spin networks. The quantum algebra of this Hamiltonian is anomaly-free on shell, and there is less ambiguity in its construction in comparison with the original method. The regularization procedure for this Hamiltonian constraint operator can also be applied to the symmetric model of loop quantum cosmology, which leads to a new quantum dynamics of the cosmological model.

  7. Hamiltonian dynamics

    CERN Document Server

    Vilasi, Gaetano

    2001-01-01

    This is both a textbook and a monograph. It is partially based on a two-semester course, held by the author for third-year students in physics and mathematics at the University of Salerno, on analytical mechanics, differential geometry, symplectic manifolds and integrable systems. As a textbook, it provides a systematic and self-consistent formulation of Hamiltonian dynamics both in a rigorous coordinate language and in the modern language of differential geometry. It also presents powerful mathematical methods of theoretical physics, especially in gauge theories and general relativity. As a m

  8. Spectroscopic properties of Fe2+ ions at tetragonal sites-Crystal field effects and microscopic modeling of spin Hamiltonian parameters for Fe2+ (S=2) ions in K2FeF4 and K2ZnF4

    International Nuclear Information System (INIS)

    Rudowicz, C.; Piwowarska, D.

    2011-01-01

    Magnetic and spectroscopic properties of the planar antiferromagnet K 2 FeF 4 are determined by the Fe 2+ ions at tetragonal sites. The two-dimensional easy-plane anisotropy exhibited by K 2 FeF 4 is due to the zero field splitting (ZFS) terms arising from the orbital singlet ground state of Fe 2+ ions with the spin S=2. To provide insight into the single-ion magnetic anisotropy of K 2 FeF 4 , the crystal field theory and the microscopic spin Hamiltonian (MSH) approach based on the tensor method is adopted. Survey of available experimental data on the crystal field energy levels and free-ion parameters for Fe 2+ ions in K 2 FeF 4 and related compounds is carried out to provide input for microscopic modeling of the ZFS parameters and the Zeeman electronic ones. The ZFS parameters are expressed in the extended Stevens notation and include contributions up to the fourth-order using as perturbation the spin-orbit and electronic spin-spin couplings within the tetragonal crystal field states of the ground 5 D multiplet. Modeling of the ZFS parameters and the Zeeman electronic ones is carried out. Variation of these parameters is studied taking into account reasonable ranges of the microscopic ones, i.e. the spin-orbit and spin-spin coupling constants, and the energy level splittings, suitable for Fe 2+ ions in K 2 FeF 4 and Fe 2+ :K 2 ZnF 4 . Conversions between the ZFS parameters in the extended Stevens notation and the conventional ones are considered to enable comparison with the data of others. Comparative analysis of the MSH formulas derived earlier and our more complete ones indicates the importance of terms omitted earlier as well as the fourth-order ZFS parameters and the spin-spin coupling related contributions. The results may be useful also for Fe 2+ ions at axial symmetry sites in related systems, i.e. Fe:K 2 MnF 4 , Rb 2 Co 1-x Fe x F 4 , Fe 2+ :Rb 2 CrCl 4 , and Fe 2+ :Rb 2 ZnCl 4 . - Highlights: → Truncated zero field splitting (ZFS) terms for Fe 2+ in K

  9. Empirical Hamiltonians

    International Nuclear Information System (INIS)

    Peggs, S.; Talman, R.

    1987-01-01

    As proton accelerators get larger, and include more magnets, the conventional tracking programs which simulate them run slower. The purpose of this paper is to describe a method, still under development, in which element-by-element tracking around one turn is replaced by a single man, which can be processed far faster. It is assumed for this method that a conventional program exists which can perform faithful tracking in the lattice under study for some hundreds of turns, with all lattice parameters held constant. An empirical map is then generated by comparison with the tracking program. A procedure has been outlined for determining an empirical Hamiltonian, which can represent motion through many nonlinear kicks, by taking data from a conventional tracking program. Though derived by an approximate method this Hamiltonian is analytic in form and can be subjected to further analysis of varying degrees of mathematical rigor. Even though the empirical procedure has only been described in one transverse dimension, there is good reason to hope that it can be extended to include two transverse dimensions, so that it can become a more practical tool in realistic cases

  10. Hamiltonian Markov Chain Monte Carlo Methods for the CUORE Neutrinoless Double Beta Decay Sensitivity

    Science.gov (United States)

    Graham, Eleanor; Cuore Collaboration

    2017-09-01

    The CUORE experiment is a large-scale bolometric detector seeking to observe the never-before-seen process of neutrinoless double beta decay. Predictions for CUORE's sensitivity to neutrinoless double beta decay allow for an understanding of the half-life ranges that the detector can probe, and also to evaluate the relative importance of different detector parameters. Currently, CUORE uses a Bayesian analysis based in BAT, which uses Metropolis-Hastings Markov Chain Monte Carlo, for its sensitivity studies. My work evaluates the viability and potential improvements of switching the Bayesian analysis to Hamiltonian Monte Carlo, realized through the program Stan and its Morpho interface. I demonstrate that the BAT study can be successfully recreated in Stan, and perform a detailed comparison between the results and computation times of the two methods.

  11. Hamiltonian diagonalization in foliable space-times: A method to find the modes

    International Nuclear Information System (INIS)

    Castagnino, M.; Ferraro, R.

    1989-01-01

    A way to obtain modes diagonalizing the canonical Hamiltonian of a minimally coupled scalar quantum field, in a foliable space-time, is shown. The Cauchy data for these modes are found to be the eigenfunctions of a second-order differential operator that could be interpreted as the squared Hamiltonian for the first-quantized relativistic particle in curved space

  12. Conservation Properties of the Hamiltonian Particle-Mesh method for the Quasi-Geostrophic Equations on a sphere

    NARCIS (Netherlands)

    H. Thorsdottir (Halldora)

    2011-01-01

    htmlabstractThe Hamiltonian particle-mesh (HPM) method is used to solve the Quasi-Geostrophic model generalized to a sphere, using the Spherepack modeling package to solve the Helmholtz equation on a colatitude-longitude grid with spherical harmonics. The predicted energy conservation of a

  13. Functional integral and effective Hamiltonian t-J-V model of strongly correlated electron system

    International Nuclear Information System (INIS)

    Belinicher, V.I.; Chertkov, M.V.

    1990-09-01

    The functional integral representation for the generating functional of t-J-V model is obtained. In the case close to half filling this functional integral representation reduces the conventional Hamiltonian of t-J-V model to the Hamiltonian of the system containing holes and spins 1/2 at each lattice size. This effective Hamiltonian coincides with that one obtained one of the authors by different method. This Hamiltonian and its dynamical variables can be used for description of different magnetic phases of t-J-V model. (author). 16 refs

  14. Mapping of parent hamiltonians from abelian and non-abelian quantum hall states to exact models of critical spin chains

    CERN Document Server

    Greiter, Martin

    2011-01-01

    This monograph introduces an exact model for a critical spin chain with arbitrary spin S, which includes the Haldane--Shastry model as the special case S=1/2.  While spinons in the Haldane-Shastry model obey abelian half-fermi statistics, the spinons in the general model introduced here obey non-abelian statistics.  This manifests itself through topological choices for the fractional momentum spacings.  The general model is derived by mapping exact models of quantized Hall states onto spin chains.  The book begins with pedagogical review of all the relevant models including the non-abelian statistics in the Pfaffian Hall state, and is understandable to every student with a graduate course in quantum mechanics.

  15. Physical properties of the spin Hamiltonian on honeycomb lattice samples with Kekulé and vacuum polarization corrections

    Science.gov (United States)

    Martins, Ricardo Spagnuolo; Konstantinova, Elena; Belich, Humberto; Helayël-Neto, José Abdalla

    2017-11-01

    Magnetic and thermodynamical properties of a system of spins in a honeycomb lattice, such as magnetization, magnetic susceptibility and specific heat, in a low-temperature regime are investigated by considering the effects of a Kekulé scalar exchange and QED vacuum polarization corrections to the interparticle potential. The spin lattice calculations are carried out by means of Monte Carlo simulations. We present a number of comparative plots of all the physical quantities we have considered and a detailed analysis is presented to illustrate the main features and the variation profiles of the properties with the applied external magnetic field and temperature.

  16. Predicting Near Edge X-ray Absorption Spectra with the Spin-Free Exact-Two-Component Hamiltonian and Orthogonality Constrained Density Functional Theory.

    Science.gov (United States)

    Verma, Prakash; Derricotte, Wallace D; Evangelista, Francesco A

    2016-01-12

    Orthogonality constrained density functional theory (OCDFT) provides near-edge X-ray absorption (NEXAS) spectra of first-row elements within one electronvolt from experimental values. However, with increasing atomic number, scalar relativistic effects become the dominant source of error in a nonrelativistic OCDFT treatment of core-valence excitations. In this work we report a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects and its combination with a recently developed OCDFT approach to compute a manifold of core-valence excited states. The inclusion of scalar relativistic effects in OCDFT reduces the mean absolute error of second-row elements core-valence excitations from 10.3 to 2.3 eV. For all the excitations considered, the results from X2C calculations are also found to be in excellent agreement with those from low-order spin-free Douglas-Kroll-Hess relativistic Hamiltonians. The X2C-OCDFT NEXAS spectra of three organotitanium complexes (TiCl4, TiCpCl3, TiCp2Cl2) are in very good agreement with unshifted experimental results and show a maximum absolute error of 5-6 eV. In addition, a decomposition of the total transition dipole moment into partial atomic contributions is proposed and applied to analyze the nature of the Ti pre-edge transitions in the three organotitanium complexes.

  17. IBM parameters derived from realistic shell-model Hamiltonian via Hn-cooling method

    International Nuclear Information System (INIS)

    Nakada, Hitoshi

    1997-01-01

    There is a certain influence of non-collective degrees-of-freedom even in lowest-lying states of medium-heavy nuclei. This influence seems to be significant for some of the IBM parameters. In order to take it into account, several renormalization approaches have been applied. It has been shown in the previous studies that the influence of the G-pairs is important, but does not fully account for the fitted values. The influence of the non-collective components may be more serious when we take a realistic effective nucleonic interaction. To incorporate this influence into the IBM parameters, we employ the recently developed H n -cooling method. This method is applied to renormalize the wave functions of the states consisting of the SD-pairs, for the Cr-Fe nuclei. On this ground, the IBM Hamiltonian and transition operators are derived from corresponding realistic shell-model operators, for the Cr-Fe nuclei. Together with some features of the realistic interaction, the effects of the non-SD degrees-of-freedom are presented. (author)

  18. Analytical recursive method to ascertain multisite entanglement in doped quantum spin ladders

    Science.gov (United States)

    Roy, Sudipto Singha; Dhar, Himadri Shekhar; Rakshit, Debraj; SenDe, Aditi; Sen, Ujjwal

    2017-08-01

    We formulate an analytical recursive method to generate the wave function of doped short-range resonating valence bond (RVB) states as a tool to efficiently estimate multisite entanglement as well as other physical quantities in doped quantum spin ladders. We prove that doped RVB ladder states are always genuine multipartite entangled. Importantly, our results show that within specific doping concentration and model parameter regimes, the doped RVB state essentially characterizes the trends of genuine multiparty entanglement in the exact ground states of the Hubbard model with large on-site interactions, in the limit that yields the t -J Hamiltonian.

  19. Variational discussion of the Hamiltonian Z(N) spin model in 1+1 and 2+1 dimensions

    International Nuclear Information System (INIS)

    Jengo, R.; Masperi, L.; Omero, C.

    1982-01-01

    We study the Z(N) spin model, as well as its limiting forms for N → infinity by means of a variational approach. We find, for 1 + 1 dimensions, the two transitions of the model separating the disordered, massless and ordered phases. In the case of 2 + 1 dimensions, we obtain only the disorder-order phase transition which implies for N → infinity single confining phase for the dual U(1) gauge theory. (orig.)

  20. Survey of methods for rapid spin reversal

    International Nuclear Information System (INIS)

    McKibben, J.L.

    1980-01-01

    The need for rapid spin reversal technique in polarization experiments is discussed. The ground-state atomic-beam source equipped with two rf transitions for hydrogen can be reversed rapidly, and is now in use on several accelerators. It is the optimum choice provided the accelerator can accept H + ions. At present all rapid reversal experiments using H - ions are done with Lamb-shift sources; however, this is not a unique choice. Three methods for the reversal of the spin of the atomic beam within the Lamb-shift source are discussed in order of development. Coherent intensity and perhaps focus modulation seem to be the biggest problems in both types of sources. Methods for reducing these modulations in the Lamb-shift source are discussed. The same Lamb-shift apparatus is easily modified to provide information on the atomic physics of quenching of the 2S/sub 1/2/ states versus spin orientation, and this is also discussed. 2 figures

  1. On the use of a Hamiltonian with projected potential for the calculation of scattering wave functions : Methods and general properties

    International Nuclear Information System (INIS)

    Colle, R.; Simonucci, S.

    1996-01-01

    The theoretical framework of a method that utilizes a projected potential operator to construct scattering wave functions is presented. Theorems and spectral properties of a Hamiltonian with the potential energy operator represented in terms of L'2(R'3)-functions are derived. The computational advantages offered by the method for calculating spectroscopic quantities, like resonance energies, decay probabilities and photoionization cross-sections, are discussed

  2. Control by Interconnection and Energy-Shaping Methods of Port Hamiltonian Models. Application to the Shallow Water Equations

    OpenAIRE

    Hamroun , Boussad; Dimofte , Alexandru; Lefevre , Laurent; Mendes , Eduardo

    2010-01-01

    International audience; — In this paper a control algorithm for the reduced port-Controlled Hamiltonian model (PCH) of the shallow water equations (PDEs) is developed. This control is developed using the Interconnection and Damping Assignment Passivity Based Control (IDA-PBC) method on the reduced PCH model without the natural dissipation. It allows to assign desired structure and energy function to the closed loop system. The same control law is then derived using an energy shaping method ba...

  3. An equilibrium for frustrated quantum spin systems in the stochastic state selection method

    International Nuclear Information System (INIS)

    Munehisa, Tomo; Munehisa, Yasuko

    2007-01-01

    We develop a new method to calculate eigenvalues in frustrated quantum spin models. It is based on the stochastic state selection (SSS) method, which is an unconventional Monte Carlo technique that we have investigated in recent years. We observe that a kind of equilibrium is realized under some conditions when we repeatedly operate a Hamiltonian and a random choice operator, which is defined by stochastic variables in the SSS method, to a trial state. In this equilibrium, which we call the SSS equilibrium, we can evaluate the lowest eigenvalue of the Hamiltonian using the statistical average of the normalization factor of the generated state. The SSS equilibrium itself has already been observed in unfrustrated models. Our study in this paper shows that we can also see the equilibrium in frustrated models, with some restriction on values of a parameter introduced in the SSS method. As a concrete example, we employ the spin-1/2 frustrated J 1 -J 2 Heisenberg model on the square lattice. We present numerical results on the 20-, 32-, and 36-site systems, which demonstrate that statistical averages of the normalization factors reproduce the known exact eigenvalue to good precision. Finally, we apply the method to the 40-site system. Then we obtain the value of the lowest energy eigenvalue with an error of less than 0.2%

  4. Nonconformal scalar field in uniform isotropic space and the method of Hamiltonian diagonalization

    International Nuclear Information System (INIS)

    Pavlov, Yu.V.

    2001-01-01

    One diagonalized metric Hamiltonian of scalar field with arbitrary relation with curvature in N-dimensional uniform isotropic space. One derived spectrum of energies of the appropriate quasi-particles. One calculated energy of quasi-particle appropriate to the canonical Hamiltonian diagonal shape. One structured a modified tensor of energy-pulse with the following features. In case of conformal scalar field it coincides with the metric tensor of energy-pulse. When it is diagonalized the energies of the appropriate particles of nonconformal field are equal to oscillation frequency and the number of such particles produced in non-stationary metric is the finite one. It is shown that Hamiltonian calculated on the basis of the modified tensor of energy-pulse may be derived as a canonical one at certain selection of variables [ru

  5. A Trigonometrically Fitted Block Method for Solving Oscillatory Second-Order Initial Value Problems and Hamiltonian Systems

    OpenAIRE

    Ngwane, F. F.; Jator, S. N.

    2017-01-01

    In this paper, we present a block hybrid trigonometrically fitted Runge-Kutta-Nyström method (BHTRKNM), whose coefficients are functions of the frequency and the step-size for directly solving general second-order initial value problems (IVPs), including Hamiltonian systems such as the energy conserving equations and systems arising from the semidiscretization of partial differential equations (PDEs). Four discrete hybrid formulas used to formulate the BHTRKNM are provided by a continuous one...

  6. Theoretical studies of the spin Hamiltonian parameters and local distortions for Cu{sup 2+} in alkaline earth lead zinc phosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Bo-Kun; Yuan, Zi-Yi; Liu, Zi-Xuan; Jiang, Shi-Xin; Liu, Zheng; Yao, Zi-Jian [University of Electronic Science and Technology of China, Chengdu (China). School of Yingcai Honors; Wu, Shao-Yi; Teng, Bao-Hua; Wu, Ming-He [University of Electronic Science and Technology of China, Chengdu (China). Dept. of Applied Physics

    2016-11-01

    The spin Hamiltonian parameters and local structures are theoretically studied for Cu{sup 2+}-doped alkaline earth lead zinc phosphate (RPPZ, R=Mg, Ca, Sr, and Ba) glasses based on the high-order perturbation calculations for a tetragonally elongated octahedral 3d{sup 9} cluster. The relative elongation ratios are found to be ρ ∼ 3.2%, 4.4%, 4.6%, and 3.3% for R=Mg, Ca, Sr, and Ba, respectively, because of the Jahn-Teller effect. The whole decreasing crystal-field strength Dq and orbital reduction factor k from Mg to Sr are ascribed to the weakening electrostatic coulombic interactions and the increasing probability of productivity of nonbridge oxygen (and hence increasing Cu{sup 2+}-O{sup 2-} electron cloud admixtures) under PbO addition, respectively, with increasing alkali earth ionic radius. The anomalies (the largest Dq and the next highest k among the systems) for R=Ba are attributed to the cross linkage of this large cation in the network. The overall increasing order (Mg≤Ba

  7. Analysis of spin-Hamiltonian and molecular orbital coefficients of Cu2+ doped C8H11KO8 single crystal through EPR technique

    Science.gov (United States)

    Juliet sheela, K.; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

    2018-04-01

    Electron paramagnetic resonance (EPR) studies have been investigated at X-band microwave frequency on Cu2+ ion incorporated into the single crystal of potassium succinate-succinic acid (KSSA) at room temperature. The angular variation of the EPR spectra has shown two magnetically in-equivalent Cu2+ sites in the KSSA single crystal system. The spin Hamiltonian parameters g and A are determined which reveals that the site I and site II occupied in rhombic and axial local field symmetry around the impurity ion. Among the two paramagnetic impurity ions, sites one occupies at substituitional position in the place of monovalent cation (K+) in the crystal whereas the other enters in its lattice interstitially by the correlation of EPR and crystal structure data. From the calculated principle values gxx, gyy, gzz and Axx, Ayy, Azz of both the sites, the admixture coefficients and molecular orbital coefficients were evaluated which gives the information of ground state wave function and types of bonding of impurity ions with the ligands.

  8. Exact vibration analysis of a double-nanobeam-systems embedded in an elastic medium by a Hamiltonian-based method

    Science.gov (United States)

    Zhou, Zhenhuan; Li, Yuejie; Fan, Junhai; Rong, Dalun; Sui, Guohao; Xu, Chenghui

    2018-05-01

    A new Hamiltonian-based approach is presented for finding exact solutions for transverse vibrations of double-nanobeam-systems embedded in an elastic medium. The continuum model is established within the frameworks of the symplectic methodology and the nonlocal Euler-Bernoulli and Timoshenko beam beams. The symplectic eigenfunctions are obtained after expressing the governing equations in a Hamiltonian form. Exact frequency equations, vibration modes and displacement amplitudes are obtained by using symplectic eigenfunctions and end conditions. Comparisons with previously published work are presented to illustrate the accuracy and reliability of the proposed method. The comprehensive results for arbitrary boundary conditions could serve as benchmark results for verifying numerically obtained solutions. In addition, a study on the difference between the nonlocal beam and the nonlocal plate is also included.

  9. High spin exotic states and new method for pairing energy; Etats exotiques a hauts spins et nouvelle methode pour l`energie d`appariement nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Molique, H.

    1996-01-19

    We present a new method called `PSY-MB`, initially developed in the framework of abstract group theory for the solution of the problem of strongly interacting multi-fermionic systems with particular to systems in an external rotating field. The validity of the new method (PSY-MB) is tested on model Hamiltonians. A detailed comparison between the obtained solutions and the exact ones is performed. The new method is used in the study of realistic nuclear Hamiltonians based on the Woods-Saxon potential within the cranking approximation to study the influence of residual monopole pairing interactions in the rare-earth mass region. In parallel with this new technique we present original results obtained with the Woods-Saxon mean-field and the self-consistent Hartree-Fock approximation in order to investigate such exotic effects as octupole deformations and hexadecapole C{sub 4}-polarizing deformations in the framework of high-spin physics. By developing these three approaches in one single work we prepare the ground for the nuclear structure calculations of the new generation - where the residual two-body interactions are taken into account also in the weak pairing limit. (author). 2370refs.

  10. Implementation of rigorous renormalization group method for ground space and low-energy states of local Hamiltonians

    Science.gov (United States)

    Roberts, Brenden; Vidick, Thomas; Motrunich, Olexei I.

    2017-12-01

    The success of polynomial-time tensor network methods for computing ground states of certain quantum local Hamiltonians has recently been given a sound theoretical basis by Arad et al. [Math. Phys. 356, 65 (2017), 10.1007/s00220-017-2973-z]. The convergence proof, however, relies on "rigorous renormalization group" (RRG) techniques which differ fundamentally from existing algorithms. We introduce a practical adaptation of the RRG procedure which, while no longer theoretically guaranteed to converge, finds matrix product state ansatz approximations to the ground spaces and low-lying excited spectra of local Hamiltonians in realistic situations. In contrast to other schemes, RRG does not utilize variational methods on tensor networks. Rather, it operates on subsets of the system Hilbert space by constructing approximations to the global ground space in a treelike manner. We evaluate the algorithm numerically, finding similar performance to density matrix renormalization group (DMRG) in the case of a gapped nondegenerate Hamiltonian. Even in challenging situations of criticality, large ground-state degeneracy, or long-range entanglement, RRG remains able to identify candidate states having large overlap with ground and low-energy eigenstates, outperforming DMRG in some cases.

  11. Hamiltonian ABC

    NARCIS (Netherlands)

    Meeds, E.; Leenders, R.; Welling, M.; Meila, M.; Heskes, T.

    2015-01-01

    Approximate Bayesian computation (ABC) is a powerful and elegant framework for performing inference in simulation-based models. However, due to the difficulty in scaling likelihood estimates, ABC remains useful for relatively lowdimensional problems. We introduce Hamiltonian ABC (HABC), a set of

  12. Effective Hamiltonian theory: recent formal results and non-nuclear applications

    International Nuclear Information System (INIS)

    Brandow, B.H.

    1981-01-01

    Effective Hamiltonian theory is discussed from the points of view of the unitary transformation method and degenerate perturbation theory. It is shown that the two approaches are identical term by term. The main features of a formulation of the coupled-cluster method for open-shell systems are outlined. Finally, recent applications of the many-body linked-cluster form of degenerate perturbation theory are described: the derivation of effective spin Hamiltonians in magnetic insulator systems, the derivation and calculation ab initio of effective π-electron Hamiltonians for planar conjugated hydrocarbon molecules, and understanding the so-called valence fluctuation phenomenon exhibited by certain rare earth compounds

  13. Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Wahlen-Strothman, J. M. [Rice Univ., Houston, TX (United States); Henderson, T. H. [Rice Univ., Houston, TX (United States); Hermes, M. R. [Rice Univ., Houston, TX (United States); Degroote, M. [Rice Univ., Houston, TX (United States); Qiu, Y. [Rice Univ., Houston, TX (United States); Zhao, J. [Rice Univ., Houston, TX (United States); Dukelsky, J. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia; Scuseria, G. E. [Rice Univ., Houston, TX (United States)

    2018-01-03

    Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories. We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.

  14. The investigation of 1+1 dimensional lattice gauge theories with fermions, gauge bosons and scalar using Hamiltonian Monte-Carlo methods

    International Nuclear Information System (INIS)

    Ranft, J.

    1984-01-01

    Hamiltonian lattice models with fermions, gauge bosons and scalar fields are studied in 1+1 dimensions using the local Hamiltonian Monte-Carlo method. Results are presented for the massive Schwinger model with one and two flavors, for a model with interacting Higgs fields, fermions and gauge bosons, where fractionally charged solitons are found as free states of the lattice model, and for Wess-Zumino type models with restricted lattice supersymmetry, where examples for spontaneous breaking of supersymmetry are found

  15. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1984-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given. 12 references

  16. Statistical methods of spin assignment in compound nuclear reactions

    International Nuclear Information System (INIS)

    Mach, H.; Johns, M.W.

    1985-01-01

    Spin assignment to nuclear levels can be obtained from standard in-beam gamma-ray spectroscopy techniques and in the case of compound nuclear reactions can be complemented by statistical methods. These are based on a correlation pattern between level spin and gamma-ray intensities feeding low-lying levels. Three types of intensity and level spin correlations are found suitable for spin assignment: shapes of the excitation functions, ratio of intensity at two beam energies or populated in two different reactions, and feeding distributions. Various empirical attempts are examined and the range of applicability of these methods as well as the limitations associated with them are given

  17. Renormalization of Hamiltonians

    International Nuclear Information System (INIS)

    Glazek, S.D.; Wilson, K.G.

    1993-01-01

    This paper presents a new renormalization procedure for Hamiltonians such as those of light-front field theory. The bare Hamiltonian with an arbitrarily large, but finite cutoff, is transformed by a specially chosen similarity transformation. The similarity transformation has two desirable features. First, the transformed Hamiltonian is band diagonal: in particular, all matrix elements vanish which would otherwise have caused transitions with big energy jumps, such as from a state of bounded energy to a state with an energy of the order of the cutoff. At the same time, neither the similarity transformation nor the transformed Hamiltonian, computed in perturbation theory, contain vanishing or near-vanishing energy denominators. Instead, energy differences in denominators can be replaced by energy sums for purposes of order of magnitude estimates needed to determine cutoff dependences. These two properties make it possible to determine relatively easily the list of counterterms needed to obtain finite low energy results (such as for eigenvalues). A simple model Hamiltonian is discussed to illustrate the method

  18. A Trigonometrically Fitted Block Method for Solving Oscillatory Second-Order Initial Value Problems and Hamiltonian Systems

    Directory of Open Access Journals (Sweden)

    F. F. Ngwane

    2017-01-01

    Full Text Available In this paper, we present a block hybrid trigonometrically fitted Runge-Kutta-Nyström method (BHTRKNM, whose coefficients are functions of the frequency and the step-size for directly solving general second-order initial value problems (IVPs, including Hamiltonian systems such as the energy conserving equations and systems arising from the semidiscretization of partial differential equations (PDEs. Four discrete hybrid formulas used to formulate the BHTRKNM are provided by a continuous one-step hybrid trigonometrically fitted method with an off-grid point. We implement BHTRKNM in a block-by-block fashion; in this way, the method does not suffer from the disadvantages of requiring starting values and predictors which are inherent in predictor-corrector methods. The stability property of the BHTRKNM is discussed and the performance of the method is demonstrated on some numerical examples to show accuracy and efficiency advantages.

  19. The construction of arbitrary order ERKN methods based on group theory for solving oscillatory Hamiltonian systems with applications

    Energy Technology Data Exchange (ETDEWEB)

    Mei, Lijie, E-mail: bxhanm@126.com; Wu, Xinyuan, E-mail: xywu@nju.edu.cn

    2016-10-15

    In general, extended Runge–Kutta–Nyström (ERKN) methods are more effective than traditional Runge–Kutta–Nyström (RKN) methods in dealing with oscillatory Hamiltonian systems. However, the theoretical analysis for ERKN methods, such as the order conditions, the symplectic conditions and the symmetric conditions, becomes much more complicated than that for RKN methods. Therefore, it is a bottleneck to construct high-order ERKN methods efficiently. In this paper, we first establish the ERKN group Ω for ERKN methods and the RKN group G for RKN methods, respectively. We then rigorously show that ERKN methods are a natural extension of RKN methods, that is, there exists an epimorphism η of the ERKN group Ω onto the RKN group G. This epimorphism gives a global insight into the structure of the ERKN group by the analysis of its kernel and the corresponding RKN group G. Meanwhile, we establish a particular mapping φ of G into Ω so that each image element is an ideal representative element of the congruence class in Ω. Furthermore, an elementary theoretical analysis shows that this map φ can preserve many structure-preserving properties, such as the order, the symmetry and the symplecticity. From the epimorphism η together with its section φ, we may gain knowledge about the structure of the ERKN group Ω via the RKN group G. In light of the theoretical analysis of this paper, we obtain high-order structure-preserving ERKN methods in an effective way for solving oscillatory Hamiltonian systems. Numerical experiments are carried out and the results are very promising, which strongly support our theoretical analysis presented in this paper.

  20. Conservative, unconditionally stable discretization methods for Hamiltonian equations, applied to wave motion in lattice equations modeling protein molecules

    Science.gov (United States)

    LeMesurier, Brenton

    2012-01-01

    A new approach is described for generating exactly energy-momentum conserving time discretizations for a wide class of Hamiltonian systems of DEs with quadratic momenta, including mechanical systems with central forces; it is well-suited in particular to the large systems that arise in both spatial discretizations of nonlinear wave equations and lattice equations such as the Davydov System modeling energetic pulse propagation in protein molecules. The method is unconditionally stable, making it well-suited to equations of broadly “Discrete NLS form”, including many arising in nonlinear optics. Key features of the resulting discretizations are exact conservation of both the Hamiltonian and quadratic conserved quantities related to continuous linear symmetries, preservation of time reversal symmetry, unconditional stability, and respecting the linearity of certain terms. The last feature allows a simple, efficient iterative solution of the resulting nonlinear algebraic systems that retain unconditional stability, avoiding the need for full Newton-type solvers. One distinction from earlier work on conservative discretizations is a new and more straightforward nearly canonical procedure for constructing the discretizations, based on a “discrete gradient calculus with product rule” that mimics the essential properties of partial derivatives. This numerical method is then used to study the Davydov system, revealing that previously conjectured continuum limit approximations by NLS do not hold, but that sech-like pulses related to NLS solitons can nevertheless sometimes arise.

  1. Redesign of the DFT/MRCI Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Lyskov, Igor; Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany)

    2016-01-21

    The combined density functional theory and multireference configuration interaction (DFT/MRCI) method of Grimme and Waletzke [J. Chem. Phys. 111, 5645 (1999)] is a well-established semi-empirical quantum chemical method for efficiently computing excited-state properties of organic molecules. As it turns out, the method fails to treat bi-chromophores owing to the strong dependence of the parameters on the excitation class. In this work, we present an alternative form of correcting the matrix elements of a MRCI Hamiltonian which is built from a Kohn-Sham set of orbitals. It is based on the idea of constructing individual energy shifts for each of the state functions of a configuration. The new parameterization is spin-invariant and incorporates less empirism compared to the original formulation. By utilizing damping techniques together with an algorithm of selecting important configurations for treating static electron correlation, the high computational efficiency has been preserved. The robustness of the original and redesigned Hamiltonians has been tested on experimentally known vertical excitation energies of organic molecules yielding similar statistics for the two parameterizations. Besides that, our new formulation is free from artificially low-lying doubly excited states, producing qualitatively correct and consistent results for excimers. The way of modifying matrix elements of the MRCI Hamiltonian presented here shall be considered as default choice when investigating photophysical processes of bi-chromophoric systems such as singlet fission or triplet-triplet upconversion.

  2. Geometric Hamiltonian structures and perturbation theory

    International Nuclear Information System (INIS)

    Omohundro, S.

    1984-08-01

    We have been engaged in a program of investigating the Hamiltonian structure of the various perturbation theories used in practice. We describe the geometry of a Hamiltonian structure for non-singular perturbation theory applied to Hamiltonian systems on symplectic manifolds and the connection with singular perturbation techniques based on the method of averaging

  3. Validations of CNDOL approximate Hamiltonian as a fast and reliable method to obtain vertical excitation energies in polyatomic systems

    International Nuclear Information System (INIS)

    Montero-Alejo, Ana L.; Gonzalez-Santana, Susana; Montero-Cabrera, Luis A.; Hernandez-Rodriguez, Erix Wiliam; Fuentes-Montero, Maria Elena; Bunge-Molina, Carlos F.; Gonzalez, Augusto

    2008-01-01

    Theoretical prediction of vertical excitation energies and an estimation of charge distributions of polyatomic systems can be calculated, through the configuration interaction of single (CIS) excited determinants procedure, with the CNDOL (Complete Neglect of Differential Overlap considering the l azimuthal quantum number) Hamiltonians. This method does not use adjusted parameters to fit experimental data and only employ a priori data on atomic orbitals and simple formulas to substitute large computations of electronic integrals. In this sense, different functions for bi-electron integrals have been evaluated in order to improve the approximate Hamiltonian. The reliability of predictions and theoretical consistence has been tested with a benchmark set of organic molecules that covers important classes of chromophores including polyenes and other unsaturated aliphatic compounds, aromatic, hydrocarbons, heterocycles, carbonyl compounds, and nucleobases. The calculations are done at identical geometries (MP2) with the same basis set (6-31G) for these medium-sized molecules and the obtained results were statistically compared with other analogous methods and experimental data. The accuracy of prediction of each CNDOL vertical transitions energy increases while the active space is more complete allowing the best variational optimization of CIS matrices i.e. molecular excited states. Moreover and due to the feasible computation procedure for large polyatomic systems, the studies have been extended, as a preliminary work, in the field of optoelectronic materials for photovoltaic applications. Hence, the excitation energies of different conjugated Phenyl-cored Thiophene Dendrimers optimized by DFT (Density Functional Theory) were calculated and show good agreement with the experiment data. The predicted charge distribution during the excitation contributes to understand the photophysics process on these kind materials. (Full text)

  4. Spectroscopic and magnetic properties of Fe2+ (3d6; S = 2) ions in Fe(NH4)2(SO4)2·6H2O - Modeling zero-field splitting and Zeeman electronic parameters by microscopic spin Hamiltonian approach

    Science.gov (United States)

    Zając, Magdalena; Rudowicz, Czesław; Ohta, Hitoshi; Sakurai, Takahiro

    2018-03-01

    Utilizing the package MSH/VBA, based on the microscopic spin Hamiltonian (MSH) approach, spectroscopic and magnetic properties of Fe2+ (3d6; S = 2) ions at (nearly) orthorhombic sites in Fe(NH4)2(SO4)2·6H2O (FASH) are modeled. The zero-field splitting (ZFS) parameters and the Zeeman electronic (Ze) factors are predicted for wide ranges of values of the microscopic parameters, i.e. the spin-orbit (λ), spin-spin (ρ) coupling constants, and the crystal-field (ligand-field) energy levels (Δi) within the 5D multiplet. This enables to consider the dependence of the ZFS parameters bkq (in the Stevens notation), or the conventional ones (e.g., D and E), and the Zeeman factors gi on λ, ρ, and Δi. By matching the theoretical SH parameters and the experimental ones measured by electron magnetic resonance (EMR), the values of λ, ρ, and Δi best describing Fe2+ ions in FASH are determined. The novel aspect is prediction of the fourth-rank ZFS parameters and the ρ(spin-spin)-related contributions, not considered in previous studies. The higher-order contributions to the second- and fourth-rank ZFSPs are found significant. The MSH predictions provide guidance for high-magnetic field and high-frequency EMR (HMF-EMR) measurements and enable assessment of suitability of FASH for application as high-pressure probes for HMF-EMR studies. The method employed here and the present results may be also useful for other structurally related Fe2+ (S = 2) systems.

  5. Complex Hamiltonian Dynamics

    CERN Document Server

    Bountis, Tassos

    2012-01-01

    This book introduces and explores modern developments in the well established field of Hamiltonian dynamical systems. It focuses on high degree-of-freedom systems and the transitional regimes between regular and chaotic motion. The role of nonlinear normal modes is highlighted and the importance of low-dimensional tori in the resolution of the famous FPU paradox is emphasized. Novel powerful numerical methods are used to study localization phenomena and distinguish order from strongly and weakly chaotic regimes. The emerging hierarchy of complex structures in such regimes gives rise to particularly long-lived patterns and phenomena called quasi-stationary states, which are explored in particular in the concrete setting of one-dimensional Hamiltonian lattices and physical applications in condensed matter systems.  The self-contained and pedagogical approach is blended with a unique balance between mathematical rigor, physics insights and concrete applications. End of chapter exercises and (more demanding) res...

  6. A partial Hamiltonian approach for current value Hamiltonian systems

    Science.gov (United States)

    Naz, R.; Mahomed, F. M.; Chaudhry, Azam

    2014-10-01

    We develop a partial Hamiltonian framework to obtain reductions and closed-form solutions via first integrals of current value Hamiltonian systems of ordinary differential equations (ODEs). The approach is algorithmic and applies to many state and costate variables of the current value Hamiltonian. However, we apply the method to models with one control, one state and one costate variable to illustrate its effectiveness. The current value Hamiltonian systems arise in economic growth theory and other economic models. We explain our approach with the help of a simple illustrative example and then apply it to two widely used economic growth models: the Ramsey model with a constant relative risk aversion (CRRA) utility function and Cobb Douglas technology and a one-sector AK model of endogenous growth are considered. We show that our newly developed systematic approach can be used to deduce results given in the literature and also to find new solutions.

  7. A Hamiltonian-based derivation of Scaled Boundary Finite Element Method for elasticity problems

    International Nuclear Information System (INIS)

    Hu Zhiqiang; Lin Gao; Wang Yi; Liu Jun

    2010-01-01

    The Scaled Boundary Finite Method (SBFEM) is a semi-analytical solution approach for solving partial differential equation. For problem in elasticity, the governing equations can be obtained by mechanically based formulation, Scaled-boundary-transformation-based formulation and principle of virtual work. The governing equations are described in the frame of Lagrange system and the unknowns are displacements. But in the solution procedure, the auxiliary variables are introduced and the equations are solved in the state space. Based on the observation that the duality system to solve elastic problem proposed by W.X. Zhong is similar to the above solution approach, the discretization of the SBFEM and the duality system are combined to derive the governing equations in the Hamilton system by introducing the dual variables in this paper. The Precise Integration Method (PIM) used in Duality system is also an efficient method for the solution of the governing equations of SBFEM in displacement and boundary stiffness matrix especially for the case which results some numerical difficulties in the usually uses the eigenvalue method. Numerical examples are used to demonstrate the validity and effectiveness of the PIM for solution of boundary static stiffness.

  8. A novel variational method for deriving Lagrangian and Hamiltonian models of inductor-capacitor circuits

    NARCIS (Netherlands)

    Moreau, L.; Aeyels, D.

    2004-01-01

    We study the dynamical equations of nonlinear inductor-capacitor circuits. We present a novel Lagrangian description of the dynamics and provide a variational interpretation, which is based on the maximum principle of optimal control theory. This gives rise to an alternative method for deriving the

  9. Total energy and potential enstrophy conserving schemes for the shallow water equations using Hamiltonian methods - Part 1: Derivation and properties

    Science.gov (United States)

    Eldred, Christopher; Randall, David

    2017-02-01

    The shallow water equations provide a useful analogue of the fully compressible Euler equations since they have similar characteristics: conservation laws, inertia-gravity and Rossby waves, and a (quasi-) balanced state. In order to obtain realistic simulation results, it is desirable that numerical models have discrete analogues of these properties. Two prototypical examples of such schemes are the 1981 Arakawa and Lamb (AL81) C-grid total energy and potential enstrophy conserving scheme, and the 2007 Salmon (S07) Z-grid total energy and potential enstrophy conserving scheme. Unfortunately, the AL81 scheme is restricted to logically square, orthogonal grids, and the S07 scheme is restricted to uniform square grids. The current work extends the AL81 scheme to arbitrary non-orthogonal polygonal grids and the S07 scheme to arbitrary orthogonal spherical polygonal grids in a manner that allows for both total energy and potential enstrophy conservation, by combining Hamiltonian methods (work done by Salmon, Gassmann, Dubos, and others) and discrete exterior calculus (Thuburn, Cotter, Dubos, Ringler, Skamarock, Klemp, and others). Detailed results of the schemes applied to standard test cases are deferred to part 2 of this series of papers.

  10. Non-perturbative RPA-method implemented in the Coulomb gauge QCD Hamiltonian: From quarks and gluons to baryons and mesons

    Science.gov (United States)

    Yepez-Martinez, Tochtli; Civitarese, Osvaldo; Hess, Peter O.

    2018-02-01

    Starting from an algebraic model based on the QCD-Hamiltonian and previously applied to study meson states, we have developed an extension of it in order to explore the structure of baryon states. In developing our approach we have adapted concepts taken from group theory and non-perturbative many-body methods to describe states built from effective quarks and anti-quarks degrees of freedom. As a Hamiltonian we have used the QCD Hamiltonian written in the Coulomb Gauge, and expressed it in terms of effective quark-antiquark, di-quarks and di-antiquark excitations. To gain some insights about the relevant interactions of quarks in hadronic states, the Hamiltonian was approximately diagonalized by mapping quark-antiquark pairs and di-quarks (di-antiquarks) onto phonon states. In dealing with the structure of the vacuum of the theory, color-scalar and color-vector states are introduced to account for ground-state correlations. While the use of a purely color-scalar ground state is an obvious choice, so that colorless hadrons contain at least three quarks, the presence of coupled color-vector pairs in the ground state allows for colorless excitations resulting from the action of color objects upon it.

  11. Hamiltonian Algorithm Sound Synthesis

    OpenAIRE

    大矢, 健一

    2013-01-01

    Hamiltonian Algorithm (HA) is an algorithm for searching solutions is optimization problems. This paper introduces a sound synthesis technique using Hamiltonian Algorithm and shows a simple example. "Hamiltonian Algorithm Sound Synthesis" uses phase transition effect in HA. Because of this transition effect, totally new waveforms are produced.

  12. Contact Hamiltonian mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Bravetti, Alessandro, E-mail: alessandro.bravetti@iimas.unam.mx [Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional Autónoma de México, A. P. 70543, México, DF 04510 (Mexico); Cruz, Hans, E-mail: hans@ciencias.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A. P. 70543, México, DF 04510 (Mexico); Tapias, Diego, E-mail: diego.tapias@nucleares.unam.mx [Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70543, México, DF 04510 (Mexico)

    2017-01-15

    In this work we introduce contact Hamiltonian mechanics, an extension of symplectic Hamiltonian mechanics, and show that it is a natural candidate for a geometric description of non-dissipative and dissipative systems. For this purpose we review in detail the major features of standard symplectic Hamiltonian dynamics and show that all of them can be generalized to the contact case.

  13. Generating matrix elements of the hamiltonian of the algebraic version of resonating group method on intrinsic wave functions with various oscillator lengths

    International Nuclear Information System (INIS)

    Badalov, S.A.; Filippov, G.F.

    1986-01-01

    The receipts to calculate the generating matrix elements of the algebraic version of resonating group method (RGM) are given for two- and three-cluster nucleon systems, the center of mass motion being separeted exactly. For the Hamiltonian with Gaussian nucleon-nucleon potential dependence the generating matrix elements of the RGM algebraic version can be written down explictly if matrix elements of the corresponding system on wave functions of the Brink cluster model are known

  14. Empirical Hamiltonians

    International Nuclear Information System (INIS)

    Peggs, S.; Talman, R.

    1986-08-01

    As proton accelerators get larger, and include more magnets, the conventional tracking programs which simulate them run slower. At the same time, in order to more carefully optimize the higher cost of the accelerators, they must return more accurate results, even in the presence of a longer list of realistic effects, such as magnet errors and misalignments. For these reasons conventional tracking programs continue to be computationally bound, despite the continually increasing computing power available. This limitation is especially severe for a class of problems in which some lattice parameter is slowly varying, when a faithful description is only obtained by tracking for an exceedingly large number of turns. Examples are synchrotron oscillations in which the energy varies slowly with a period of, say, hundreds of turns, or magnet ripple or noise on a comparably slow time scale. In these cases one may with to track for hundreds of periods of the slowly varying parameter. The purpose of this paper is to describe a method, still under development, in which element-by-element tracking around one turn is replaced by a single map, which can be processed far faster. Similar programs have already been written in which successive elements are ''concatenated'' with truncation to linear, sextupole, or octupole order, et cetera, using Lie algebraic techniques to preserve symplecticity. The method described here is rather more empirical than this but, in principle, contains information to all orders and is able to handle resonances in a more straightforward fashion

  15. Topologically distinct classes of valence-bond solid states with their parent Hamiltonians

    International Nuclear Information System (INIS)

    Tu Honghao; Zhang Guangming; Xiang Tao; Liu Zhengxin; Ng Taikai

    2009-01-01

    We present a general method to construct one-dimensional translationally invariant valence-bond solid states with a built-in Lie group G and derive their matrix product representations. The general strategies to find their parent Hamiltonians are provided so that the valence-bond solid states are their unique ground states. For quantum integer-spin-S chains, we discuss two topologically distinct classes of valence-bond solid states: one consists of two virtual SU(2) spin-J variables in each site and another is formed by using two SO(2S+1) spinors. Among them, a spin-1 fermionic valence-bond solid state, its parent Hamiltonian, and its properties are discussed in detail. Moreover, two types of valence-bond solid states with SO(5) symmetries are further generalized and their respective properties are analyzed as well.

  16. Quantum Hamiltonian reduction in superspace formalism

    International Nuclear Information System (INIS)

    Madsen, J.O.; Ragoucy, E.

    1994-02-01

    Recently the quantum Hamiltonian reduction was done in the case of general sl(2) embeddings into Lie algebras and superalgebras. The results are extended to the quantum Hamiltonian reduction of N=1 affine Lie superalgebras in the superspace formalism. It is shown that if we choose a gauge for the supersymmetry, and consider only certain equivalence classes of fields, then our quantum Hamiltonian reduction reduces to quantum Hamiltonian reduction of non-supersymmetric Lie superalgebras. The super energy-momentum tensor is constructed explicitly as well as all generators of spin 1 (and 1/2); thus all generators in the superconformal, quasi-superconformal and Z 2 *Z 2 superconformal algebras are constructed. (authors). 21 refs

  17. Spin diffusion and torques in disordered antiferromagnets

    KAUST Repository

    Manchon, Aurelien

    2017-02-01

    We have developed a drift-diffusion equation of spin transport in collinear bipartite metallic antiferromagnets. Starting from a model tight-binding Hamiltonian, we obtain the quantum kinetic equation within Keldysh formalism and expand it to the lowest order in spatial gradient using Wigner expansion method. In the diffusive limit, these equations track the spatio-temporal evolution of the spin accumulations and spin currents on each sublattice of the antiferromagnet. We use these equations to address the nature of the spin transfer torque in (i) a spin-valve composed of a ferromagnet and an antiferromagnet, (ii) a metallic bilayer consisting of an antiferromagnet adjacent to a heavy metal possessing spin Hall effect, and in (iii) a single antiferromagnet possessing spin Hall effect. We show that the latter can experience a self-torque thanks to the non-vanishing spin Hall effect in the antiferromagnet.

  18. Spin diffusion and torques in disordered antiferromagnets

    KAUST Repository

    Manchon, Aurelien

    2017-01-01

    We have developed a drift-diffusion equation of spin transport in collinear bipartite metallic antiferromagnets. Starting from a model tight-binding Hamiltonian, we obtain the quantum kinetic equation within Keldysh formalism and expand it to the lowest order in spatial gradient using Wigner expansion method. In the diffusive limit, these equations track the spatio-temporal evolution of the spin accumulations and spin currents on each sublattice of the antiferromagnet. We use these equations to address the nature of the spin transfer torque in (i) a spin-valve composed of a ferromagnet and an antiferromagnet, (ii) a metallic bilayer consisting of an antiferromagnet adjacent to a heavy metal possessing spin Hall effect, and in (iii) a single antiferromagnet possessing spin Hall effect. We show that the latter can experience a self-torque thanks to the non-vanishing spin Hall effect in the antiferromagnet.

  19. Local Field Response Method Phenomenologically Introducing Spin Correlations

    Science.gov (United States)

    Tomaru, Tatsuya

    2018-03-01

    The local field response (LFR) method is a way of searching for the ground state in a similar manner to quantum annealing. However, the LFR method operates on a classical machine, and quantum effects are introduced through a priori information and through phenomenological means reflecting the states during the computations. The LFR method has been treated with a one-body approximation, and therefore, the effect of entanglement has not been sufficiently taken into account. In this report, spin correlations are phenomenologically introduced as one of the effects of entanglement, by which multiple tunneling at anticrossing points is taken into account. As a result, the accuracy of solutions for a 128-bit system increases by 31% compared with that without spin correlations.

  20. Collective Hamiltonians for dipole giant resonances

    International Nuclear Information System (INIS)

    Weiss, L.I.

    1991-07-01

    The collective hamiltonian for the Giant Dipole resonance (GDR), in the Goldhaber-Teller-Model, is analytically constructed using the semiclassical and generator coordinates method. Initially a conveniently parametrized set of many body wave functions and a microscopic hamiltonian, the Skyrme hamiltonian - are used. These collective Hamiltonians are applied to the investigation of the GDR, in He 4 , O 16 and Ca 40 nuclei. Also the energies and spectra of the GDR are obtained in these nuclei. The two sets of results are compared, and the zero point energy effects analysed. (author)

  1. Towards practical characterization of quantum systems with quantum Hamiltonian learning

    NARCIS (Netherlands)

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

    2017-01-01

    Here we show the first experimental implementation of quantum Hamiltonian Learning, where a silicon-on-insulator quantum photonic simulator is used to learn the dynamics of an electron-spin in an NV center in diamond.

  2. Gauge theories of infinite dimensional Hamiltonian superalgebras

    International Nuclear Information System (INIS)

    Sezgin, E.

    1989-05-01

    Symplectic diffeomorphisms of a class of supermanifolds and the associated infinite dimensional Hamiltonian superalgebras, H(2M,N) are discussed. Applications to strings, membranes and higher spin field theories are considered: The embedding of the Ramond superconformal algebra in H(2,1) is obtained. The Chern-Simons gauge theory of symplectic super-diffeomorphisms is constructed. (author). 29 refs

  3. A Few Integrable Dynamical Systems, Recurrence Operators, Expanding Integrable Models and Hamiltonian Structures by the r -Matrix Method

    International Nuclear Information System (INIS)

    Zhang Yu-Feng; Muhammad, Iqbal; Yue Chao

    2017-01-01

    We extend two known dynamical systems obtained by Blaszak, et al. via choosing Casimir functions and utilizing Novikov–Lax equation so that a series of novel dynamical systems including generalized Burgers dynamical system, heat equation, and so on, are followed to be generated. Then we expand some differential operators presented in the paper to deduce two types of expanding dynamical models. By taking the generalized Burgers dynamical system as an example, we deform its expanding model to get a half-expanding system, whose recurrence operator is derived from Lax representation, and its Hamiltonian structure is also obtained by adopting a new way. Finally, we expand the generalized Burgers dynamical system to the (2+1)-dimensional case whose Hamiltonian structure is derived by Poisson tensor and gradient of the Casimir function. Besides, a kind of (2+1)-dimensional expanding dynamical model of the (2+1)-dimensional dynamical system is generated as well. (paper)

  4. Quantum statistical Monte Carlo methods and applications to spin systems

    International Nuclear Information System (INIS)

    Suzuki, M.

    1986-01-01

    A short review is given concerning the quantum statistical Monte Carlo method based on the equivalence theorem that d-dimensional quantum systems are mapped onto (d+1)-dimensional classical systems. The convergence property of this approximate tansformation is discussed in detail. Some applications of this general appoach to quantum spin systems are reviewed. A new Monte Carlo method, ''thermo field Monte Carlo method,'' is presented, which is an extension of the projection Monte Carlo method at zero temperature to that at finite temperatures

  5. Prediction of the transition energies of atomic No and Lr by the intermediate Hamiltonian coupled cluster method

    International Nuclear Information System (INIS)

    Borschevsky, A.; Eliav, E.; Kaldor, U.; Vilkas, M.J.; Ishikawa, Y.

    2007-01-01

    Complete text of publication follows: Measurements of the spectroscopic properties of the superheavy elements present a serious challenge to the experimentalist. Their short lifetimes and the low quantities of their production necessitate reliable prediction of transition energies to avoid the need for broad wavelength scans and to assist in identifying the lines. Thus, reliable high-accuracy calculations are necessary prior and parallel to experimental research. Nobelium and Lawrencium are at present the two most likely candidates for spectroscopic measurements, with the first experiments planned at GSI, Darmstadt. The intermediate Hamiltonian (IH) coupled cluster method is applied to the ionization potentials, electron affinities, and excitation energies of atomic nobelium and lawrencium. Large basis sets are used (37s31p26d21f16g11h6i). All levels of a particular atom are obtained simultaneously by diagonalizing the IH matrix. The matrix elements correspond to all excitations from correlated occupied orbitals to virtual orbitals in a large P space, and are 'dressed' by folding in excitations to higher virtual orbitals (Q space) at the coupled cluster singles-and-doubles level. Lamb-shift corrections are included. The same approach was applied to the lighter homologues of Lr and No, lutetium and ytterbium, for which many transition energies are experimentally known, in order to assess the accuracy of the calculation. The average absolute error of 20 excitation energies of Lu is 423 cm -1 , and the error limits for Lr are therefore put at 700 cm -1 . Predicted Lr excitations with large transition moments in the prime range for the planned experiment, 20,000-30,000 cm -1 , are 7p → 8s at 20,100 cm -1 and 7p →p 7d at 28,100 cm -1 . In case of Yb, the calculated ionization potential was within 20 cm -1 of the experiment, and the average error of the 20 lowest calculated excitations was about 300 cm -1 . Hence, the error limits of nobelium are set to 800 cm -1

  6. Electronic structure of spin systems

    Energy Technology Data Exchange (ETDEWEB)

    Saha-Dasgupta, Tanusri

    2016-04-15

    Highlights: • We review the theoretical modeling of quantum spin systems. • We apply the Nth order muffin-tin orbital electronic structure method. • The method shows the importance of chemistry in the modeling. • CuTe{sub 2}O{sub 5} showed a 2-dimensional coupled spin dimer behavior. • Ti substituted Zn{sub 2}VO(PO{sub 4}){sub 2} showed spin gap behavior. - Abstract: Low-dimensional quantum spin systems, characterized by their unconventional magnetic properties, have attracted much attention. Synthesis of materials appropriate to various classes within these systems has made this field very attractive and a site of many activities. The experimental results like susceptibility data are fitted with the theoretical model to derive the underlying spin Hamiltonian. However, often such a fitting procedure which requires correct guess of the assumed spin Hamiltonian leads to ambiguity in deciding the representative model. In this review article, we will describe how electronic structure calculation within the framework of Nth order muffin-tin orbital (NMTO) based Wannier function technique can be utilized to identify the underlying spin model for a large number of such compounds. We will show examples from compounds belonging to vanadates and cuprates.

  7. Effect of the Hamiltonian parameters on the hysteresis properties of the kinetic mixed spin (1/2, 1) Ising ferrimagnetic model on a hexagonal lattice

    Energy Technology Data Exchange (ETDEWEB)

    Batı, Mehmet, E-mail: mehmet.bati@erdogan.edu.tr [Department of Physics, Recep Tayyip Erdoğan University, 53100 Rize (Turkey); Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2017-05-15

    The hysteresis properties of a kinetic mixed spin (1/2, 1) Ising ferrimagnetic system on a hexagonal lattice are studied by means of the dynamic mean field theory. In the present study, the effects of the nearest-neighbor interaction, temperature, frequency of oscillating magnetic field and the exchange anisotropy on the hysteresis properties of the kinetic system are discussed in detail. A number of interesting phenomena such as the shape of hysteresis loops with one, two, three and inverted-hysteresis/proteresis (butterfly shape hysteresis) have been obtained. Finally, the obtained results are compared with some experimental and theoretical results and a qualitatively good agreement is found.

  8. Dynamical decoupling of unbounded Hamiltonians

    Science.gov (United States)

    Arenz, Christian; Burgarth, Daniel; Facchi, Paolo; Hillier, Robin

    2018-03-01

    We investigate the possibility to suppress interactions between a finite dimensional system and an infinite dimensional environment through a fast sequence of unitary kicks on the finite dimensional system. This method, called dynamical decoupling, is known to work for bounded interactions, but physical environments such as bosonic heat baths are usually modeled with unbounded interactions; hence, here, we initiate a systematic study of dynamical decoupling for unbounded operators. We develop a sufficient decoupling criterion for arbitrary Hamiltonians and a necessary decoupling criterion for semibounded Hamiltonians. We give examples for unbounded Hamiltonians where decoupling works and the limiting evolution as well as the convergence speed can be explicitly computed. We show that decoupling does not always work for unbounded interactions and we provide both physically and mathematically motivated examples.

  9. Generic Local Hamiltonians are Gapless

    Science.gov (United States)

    Movassagh, Ramis

    2017-12-01

    We prove that generic quantum local Hamiltonians are gapless. In fact, we prove that there is a continuous density of states above the ground state. The Hamiltonian can be on a lattice in any spatial dimension or on a graph with a bounded maximum vertex degree. The type of interactions allowed for include translational invariance in a disorder (i.e., probabilistic) sense with some assumptions on the local distributions. Examples include many-body localization and random spin models. We calculate the scaling of the gap with the system's size when the local terms are distributed according to a Gaussian β orthogonal random matrix ensemble. As a corollary, there exist finite size partitions with respect to which the ground state is arbitrarily close to a product state. When the local eigenvalue distribution is discrete, in addition to the lack of an energy gap in the limit, we prove that the ground state has finite size degeneracies. The proofs are simple and constructive. This work excludes the important class of truly translationally invariant Hamiltonians where the local terms are all equal.

  10. Spin polarization of tunneling current in barriers with spin-orbit coupling

    International Nuclear Information System (INIS)

    Fujita, T; Jalil, M B A; Tan, S G

    2008-01-01

    We present a general method for evaluating the maximum transmitted spin polarization and optimal spin axis for an arbitrary spin-orbit coupling (SOC) barrier system, in which the spins lie in the azimuthal plane and finite spin polarization is achieved by wavevector filtering of electrons. Besides momentum filtering, another prerequisite for finite spin polarization is asymmetric occupation or transmission probabilities of the eigenstates of the SOC Hamiltonian. This is achieved most efficiently by resonant tunneling through multiple SOC barriers. We apply our analysis to common SOC mechanisms in semiconductors: pure bulk Dresselhaus SOC, heterostructures with mixed Dresselhaus and Rashba SOC and strain-induced SOC. In particular, we find that the interplay between Dresselhaus and Rashba SOC effects can yield several advantageous features for spin filter and spin injector functions, such as increased robustness to wavevector spread of electrons

  11. Spin polarization of tunneling current in barriers with spin-orbit coupling.

    Science.gov (United States)

    Fujita, T; Jalil, M B A; Tan, S G

    2008-03-19

    We present a general method for evaluating the maximum transmitted spin polarization and optimal spin axis for an arbitrary spin-orbit coupling (SOC) barrier system, in which the spins lie in the azimuthal plane and finite spin polarization is achieved by wavevector filtering of electrons. Besides momentum filtering, another prerequisite for finite spin polarization is asymmetric occupation or transmission probabilities of the eigenstates of the SOC Hamiltonian. This is achieved most efficiently by resonant tunneling through multiple SOC barriers. We apply our analysis to common SOC mechanisms in semiconductors: pure bulk Dresselhaus SOC, heterostructures with mixed Dresselhaus and Rashba SOC and strain-induced SOC. In particular, we find that the interplay between Dresselhaus and Rashba SOC effects can yield several advantageous features for spin filter and spin injector functions, such as increased robustness to wavevector spread of electrons.

  12. Second post-Newtonian Lagrangian dynamics of spinning compact binaries

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Li; Wu, Xin [Nanchang University, Department of Physics and Institute of Astronomy, Nanchang (China); Ma, DaZhu [Hubei University for Nationalities, School of Science, Enshi (China)

    2016-09-15

    The leading-order spin-orbit coupling is included in a post-Newtonian Lagrangian formulation of spinning compact binaries, which consists of the Newtonian term, first post-Newtonian (1PN) and 2PN non-spin terms and 2PN spin-spin coupling. This leads to a 3PN spin-spin coupling occurring in the derived Hamiltonian. The spin-spin couplings are mainly responsible for chaos in the Hamiltonians. However, the 3PN spin-spin Hamiltonian is small and has different signs, compared with the 2PN spin-spin Hamiltonian equivalent to the 2PN spin-spin Lagrangian. As a result, the probability of the occurrence of chaos in the Lagrangian formulation without the spin-orbit coupling is larger than that in the Lagrangian formulation with the spin-orbit coupling. Numerical evidences support this claim. (orig.)

  13. Investigations on the Local Structures and the Spin Hamiltonian Parameters for Cu2+ in (90-x)TeO2-10GeO2-xWO3 Glasses

    Science.gov (United States)

    Feng, Chun-Rong; Jian, Jun; Chen, Xiao-Hong; Du, Quan; Wang, Ling

    2017-12-01

    The local structures and the spin Hamiltonian parameters (SHPs) for Cu2+ in (90-x)TeO2-10GeO2-xWO3 glasses are theoretically investigated at various WO3 concentrations (x=7.5, 15, 22.5 and 30 mol%). Subject to the Jahn-Teller effect, the [CuO6]10- groups are found to experience the small or moderate tetragonal elongation distortions (characterised by the relative tetragonal elongation ratios ρ≈0.35-3.09%) in C4 axis. With only three adjusted coefficients a, b and ω, the relevant model parameters (Dq, k and ρ) are described by the Fourier type and linear functions, respectively, and the measured concentration dependences of the d-d transition bands and SHPs are reproduced. The maximum of g∥ and the minimum of |A∥| at x=15 mol% are illustrated from the abrupt decrease of the copper-oxygen electron cloud admixtures or covalency and the obvious decline of the copper 3d-3s (4s) orbital admixtures due to the decreasing electron cloud density around oxygen ligands spontaneously bonding with Cu2+ and Te4+ (W6+), respectively.

  14. Theoretical investigations on the defect structures and spin Hamiltonian parameters for various orthorhombic Rh{sup 2+} centres in KTiOPO{sub 4} and KTiOAsO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Ding, Chang-Chun, E-mail: ccding626@163.com; Wu, Shao-Yi, E-mail: wushaoyi@uestc.edu.cn; Zhang, Li-Juan; Li, Guo-Liang; Zhang, Zhi-Hong

    2015-12-15

    The defect structures and spin Hamiltonian parameters (SHPs) for three Rh{sup 2+} centres (denoted C{sub 1} in KTiOAsO{sub 4} and C{sub 2} and C{sub 3} in KTiOPO{sub 4}) are theoretically investigated by utilising the perturbation formulae for a 4d{sup 7} ion under orthorhombically (D{sub 2h}) elongated octahedra. The defect structures are characterized by the axial elongation ratios of 4.91%, 4.93% and 4.90% along the Z axis and the planar bond length variation ratios of 0.05%, 0.01% and 0.04% for centres C{sub 1}, C{sub 2} and C{sub 3}, respectively, owing to the Jahn–Teller effect. The nearly identical moderate axial elongation ratios and the slightly different tiny planar bond length variation ratios may suitably account for the comparable moderate axial g anisotropies ∆g (≈0.6087, 0.6124 and 0.6067) and the slightly dissimilar tiny perpendicular g anisotropies δg (≈0.0649, 0.0097 and 0.0509) of the three centres, respectively. All centres demonstrate similar strong crystal-field interactions and moderate covalence arising from the comparable short impurity-ligand distances.

  15. Investigations on the local structures and the spin Hamiltonian parameters for Cu{sup 2+} in (90-x)TeO{sub 2}-10GeO{sub 2}-xWO{sub 3} glasses

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Chun-Rong [Xihua Univ., Chengdu (China). School of Science; Jian, Jun [Xihua Univ., Chengdu (China). Dept. of Applied Physics; Chen, Xiao-Hong; Du, Quan; Wang, Ling [Xihua Univ., Chengdu (China). School of Science and Research Center for Advanced Computation

    2018-04-01

    The local structures and the spin Hamiltonian parameters (SHPs) for Cu{sup 2+} in (90-x)TeO{sub 2}-10GeO{sub 2}-xWO{sub 3} glasses are theoretically investigated at various WO{sub 3} concentrations (x=7.5, 15, 22.5 and 30 mol%). Subject to the Jahn-Teller effect, the [CuO{sub 6}]{sup 10-} groups are found to experience the small or moderate tetragonal elongation distortions (characterised by the relative tetragonal elongation ratios ρ ∼ 0.35-3.09%) in C{sub 4} axis. With only three adjusted coefficients a, b and ω, the relevant model parameters (Dq, k and ρ) are described by the Fourier type and linear functions, respectively, and the measured concentration dependences of the d-d transition bands and SHPs are reproduced. The maximum of g {sub parallel} and the minimum of vertical stroke A {sub parallel} vertical stroke at x=15 mol% are illustrated from the abrupt decrease of the copper-oxygen electron cloud admixtures or covalency and the obvious decline of the copper 3d-3s (4s) orbital admixtures due to the decreasing electron cloud density around oxygen ligands spontaneously bonding with Cu{sup 2+} and Te{sup 4+} (W{sup 6+}), respectively.

  16. Renormalization of Hamiltonian QCD

    International Nuclear Information System (INIS)

    Andrasi, A.; Taylor, John C.

    2009-01-01

    We study to one-loop order the renormalization of QCD in the Coulomb gauge using the Hamiltonian formalism. Divergences occur which might require counter-terms outside the Hamiltonian formalism, but they can be cancelled by a redefinition of the Yang-Mills electric field.

  17. Magnetic field line Hamiltonian

    International Nuclear Information System (INIS)

    Boozer, A.H.

    1984-03-01

    The magnetic field line Hamiltonian and the associated canonical form for the magnetic field are important concepts both for understanding toroidal plasma physics and for practical calculations. A number of important properties of the canonical or Hamiltonian representation are derived and their importance is explained

  18. Geometry of Hamiltonian chaos

    DEFF Research Database (Denmark)

    Horwitz, Lawrence; Zion, Yossi Ben; Lewkowicz, Meir

    2007-01-01

    The characterization of chaotic Hamiltonian systems in terms of the curvature associated with a Riemannian metric tensor in the structure of the Hamiltonian is extended to a wide class of potential models of standard form through definition of a conformal metric. The geodesic equations reproduce ...

  19. Magnetic field line Hamiltonian

    International Nuclear Information System (INIS)

    Boozer, A.H.

    1985-02-01

    The basic properties of the Hamiltonian representation of magnetic fields in canonical form are reviewed. The theory of canonical magnetic perturbation theory is then developed and applied to the time evolution of a magnetic field embedded in a toroidal plasma. Finally, the extension of the energy principle to tearing modes, utilizing the magnetic field line Hamiltonian, is outlined

  20. The BRST formalism and the quantization of hamiltonian systems with first class constraints

    International Nuclear Information System (INIS)

    Gamboa, J.; Rivelles, V.O.

    1989-04-01

    The quantization of hamiltonian system with first class constraints using the BFV formalism is studied. Two examples, the quantization of the relativistic particle and the relativistic spinning particle, are worked out in detail, showing that the BFV formalism is a powerful method for quantizing theories with gauge freedom. Several points not discussed is the literature are pointed out and the correct expression for the Feynman propagator in both cases is found. (L.C.)

  1. Nuclear spin measurement using the angular correlation method

    International Nuclear Information System (INIS)

    Schapira, J.-P.

    The double angular correlation method is defined by a semi-classical approach (Biendenharn). The equivalence formula in quantum mechanics are discussed for coherent and incoherent angular momentum mixing; the correlations are described from the density and efficiency matrices (Fano). The ambiguities in double angular correlations can be sometimes suppressed (emission of particles with a high orbital momentum l), using triple correlations between levels with well defined spin and parity. Triple correlations are applied to the case where the direction of linear polarization of γ-rays is detected [fr

  2. Hamiltonian lattice studies of chiral meson field theories

    International Nuclear Information System (INIS)

    Chin, S.A.

    1998-01-01

    The latticization of the non-linear sigma model reduces a chiral meson field theory to an O(4) spin lattice system with quantum fluctuations. The result is an interesting marriage between quantum many-body theory and classical spin systems. By solving the resulting lattice Hamiltonian by Monte Carlo methods, the dynamics and thermodynamics of pions can be determined non-perturbatively. In a variational 16 3 lattice study, the ground state chiral phase transition is shown to be first order. Moreover, as the chiral phase transition is approached, the mass gap of pionic collective modes with quantum number of the ω vector meson drops toward zero. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

  3. Single-particle dynamics - Hamiltonian formulation

    International Nuclear Information System (INIS)

    Montague, B.W.

    1977-01-01

    In this paper the Hamiltonian formalism is applied to the linear theory of accelerator dynamics. The reasons for the introduction of this method rather than the more straightforward use of second order differential equations of motion are briefly discussed. An outline of Lagrangian and Hamiltonian formalism is given, some properties of the Hamiltonian are discussed and canonical transformations are illustrated. The methods are demonstrated using elementary examples such as the simple pendulum and the procedures adopted to handle specific problems in accelerator theory are indicated. (B.D.)

  4. On the physical applications of hyper-Hamiltonian dynamics

    International Nuclear Information System (INIS)

    Gaeta, Giuseppe; Rodriguez, Miguel A

    2008-01-01

    An extension of Hamiltonian dynamics, defined on hyper-Kahler manifolds ('hyper-Hamiltonian dynamics') and sharing many of the attractive features of standard Hamiltonian dynamics, was introduced in previous work. In this paper, we discuss applications of the theory to physically interesting cases, dealing with the dynamics of particles with spin 1/2 in a magnetic field, i.e. the Pauli and the Dirac equations. While the free Pauli equation corresponds to a hyper-Hamiltonian flow, it turns out that the hyper-Hamiltonian description of the Dirac equation, and of the full Pauli one, is in terms of two commuting hyper-Hamiltonian flows. In this framework one can use a factorization principle discussed here (which is a special case of a general phenomenon studied by Walcher) and provide an explicit description of the resulting flow. On the other hand, by applying the familiar Foldy-Wouthuysen and Cini-Tousheck transformations (and the one recently introduced by Mulligan) which separate-in suitable limits-the Dirac equation into two equations, each of these turn out to be described by a single hyper-Hamiltonian flow. Thus the hyper-Hamiltonian construction is able to describe the fundamental dynamics for particles with spin

  5. Nested Bethe Ansatz for Spin Ladder Model with Open Boundary Conditions

    International Nuclear Information System (INIS)

    Wu Junfang; Zhang Chunmin; Yue Ruihong; Li Runling

    2005-01-01

    The nested Bethe ansatz (BA) method is applied to find the eigenvalues and the eigenvectors of the transfer matrix for spin-ladder model with open boundary conditions. Based on the reflection equation, we find the general diagonal solution, which determines the general boundary interaction in the Hamiltonian. We introduce the spin-ladder model with open boundary conditions. By finding the solution K ± of the reflection equation which determines the nontrivial boundary terms in the Hamiltonian, we diagonalize the transfer matrix of the spin-ladder model with open boundary conditions in the framework of nested BA.

  6. Classical mechanics Hamiltonian and Lagrangian formalism

    CERN Document Server

    Deriglazov, Alexei

    2016-01-01

    This account of the fundamentals of Hamiltonian mechanics also covers related topics such as integral invariants and the Noether theorem. With just the elementary mathematical methods used for exposition, the book is suitable for novices as well as graduates.

  7. Spin tunnelling in mesoscopic systems

    Science.gov (United States)

    Garg, Anupam

    2001-02-01

    We study spin tunnelling in molecular magnets as an instance of a mesoscopic phenomenon, with special emphasis on the molecule Fe8. We show that the tunnel splitting between various pairs of Zeeman levels in this molecule oscillates as a function of applied magnetic field, vanishing completely at special points in the space of magnetic fields, known as diabolical points. This phenomena is explained in terms of two approaches, one based on spin-coherent-state path integrals, and the other on a generalization of the phase integral (or WKB) method to difference equations. Explicit formulas for the diabolical points are obtained for a model Hamiltonian.

  8. Classical effective Hamiltonians, Wigner functions, and the sign problem

    International Nuclear Information System (INIS)

    Samson, J.H.

    1995-01-01

    In the functional-integral technique an auxiliary field, coupled to appropriate operators such as spins, linearizes the interaction term in a quantum many-body system. The partition function is then averaged over this time-dependent stochastic field. Quantum Monte Carlo methods evaluate this integral numerically, but suffer from the sign (or phase) problem: the integrand may not be positive definite (or not real). It is shown that, in certain cases that include the many-band Hubbard model and the Heisenberg model, the sign problem is inevitable on fundamental grounds. Here, Monte Carlo simulations generate a distribution of incompatible operators---a Wigner function---from which expectation values and correlation functions are to be calculated; in general no positive-definite distribution of this form exists. The distribution of time-averaged auxiliary fields is the convolution of this operator distribution with a Gaussian of variance proportional to temperature, and is interpreted as a Boltzmann distribution exp(-βV eff ) in classical configuration space. At high temperatures and large degeneracies this classical effective Hamiltonian V eff tends to the static approximation as a classical limit. In the low-temperature limit the field distribution becomes a Wigner function, the sign problem occurs, and V eff is complex. Interpretations of the distributions, and a criterion for their positivity, are discussed. The theory is illustrated by an exact evaluation of the Wigner function for spin s and the effective classical Hamiltonian for the spin-1/2 van der Waals model. The field distribution can be negative here, more noticeably if the number of spins is odd

  9. Indirect quantum tomography of quadratic Hamiltonians

    Energy Technology Data Exchange (ETDEWEB)

    Burgarth, Daniel [Institute for Mathematical Sciences, Imperial College London, London SW7 2PG (United Kingdom); Maruyama, Koji; Nori, Franco, E-mail: daniel@burgarth.de, E-mail: kmaruyama@riken.jp [Advanced Science Institute, RIKEN, Wako-shi, Saitama 351-0198 (Japan)

    2011-01-15

    A number of many-body problems can be formulated using Hamiltonians that are quadratic in the creation and annihilation operators. Here, we show how such quadratic Hamiltonians can be efficiently estimated indirectly, employing very few resources. We found that almost all the properties of the Hamiltonian are determined by its surface and that these properties can be measured even if the system can only be initialized to a mixed state. Therefore, our method can be applied to various physical models, with important examples including coupled nano-mechanical oscillators, hopping fermions in optical lattices and transverse Ising chains.

  10. A current value Hamiltonian Approach for Discrete time Optimal Control Problems arising in Economic Growth

    OpenAIRE

    Naz, Rehana

    2018-01-01

    Pontrygin-type maximum principle is extended for the present value Hamiltonian systems and current value Hamiltonian systems of nonlinear difference equations for uniform time step $h$. A new method termed as a discrete time current value Hamiltonian method is established for the construction of first integrals for current value Hamiltonian systems of ordinary difference equations arising in Economic growth theory.

  11. Spin-4 extended conformal algebras

    International Nuclear Information System (INIS)

    Kakas, A.C.

    1988-01-01

    We construct spin-4 extended conformal algebras using the second hamiltonian structure of the KdV hierarchy. In the presence of a U(1) current a family of spin-4 algebras exists but the additional requirement that the spin-1 and spin-4 currents commute fixes the algebra uniquely. (orig.)

  12. Weak KAM for commuting Hamiltonians

    International Nuclear Information System (INIS)

    Zavidovique, M

    2010-01-01

    For two commuting Tonelli Hamiltonians, we recover the commutation of the Lax–Oleinik semi-groups, a result of Barles and Tourin (2001 Indiana Univ. Math. J. 50 1523–44), using a direct geometrical method (Stoke's theorem). We also obtain a 'generalization' of a theorem of Maderna (2002 Bull. Soc. Math. France 130 493–506). More precisely, we prove that if the phase space is the cotangent of a compact manifold then the weak KAM solutions (or viscosity solutions of the critical stationary Hamilton–Jacobi equation) for G and for H are the same. As a corollary we obtain the equality of the Aubry sets and of the Peierls barrier. This is also related to works of Sorrentino (2009 On the Integrability of Tonelli Hamiltonians Preprint) and Bernard (2007 Duke Math. J. 136 401–20)

  13. Approximate spin projected spin-unrestricted density functional theory method: Application to diradical character dependences of second hyperpolarizabilities

    Energy Technology Data Exchange (ETDEWEB)

    Nakano, Masayoshi, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Minami, Takuya, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Fukui, Hitoshi, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Yoneda, Kyohei, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Shigeta, Yasuteru, E-mail: mnaka@cheng.es.osaka-u.ac.jp; Kishi, Ryohei, E-mail: mnaka@cheng.es.osaka-u.ac.jp [Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531 (Japan); Champagne, Benoît; Botek, Edith [Laboratoire de Chimie Théorique, Facultés Universitaires Notre-Dame de la Paix (FUNDP), rue de Bruxelles, 61, 5000 Namur (Belgium)

    2015-01-22

    We develop a novel method for the calculation and the analysis of the one-electron reduced densities in open-shell molecular systems using the natural orbitals and approximate spin projected occupation numbers obtained from broken symmetry (BS), i.e., spin-unrestricted (U), density functional theory (DFT) calculations. The performance of this approximate spin projection (ASP) scheme is examined for the diradical character dependence of the second hyperpolarizability (γ) using several exchange-correlation functionals, i.e., hybrid and long-range corrected UDFT schemes. It is found that the ASP-LC-UBLYP method with a range separating parameter μ = 0.47 reproduces semi-quantitatively the strongly-correlated [UCCSD(T)] result for p-quinodimethane, i.e., the γ variation as a function of the diradical character.

  14. On local Hamiltonians and dissipative systems

    Energy Technology Data Exchange (ETDEWEB)

    Castagnino, M. [CONICET-Institutos de Fisica Rosario y de Astronomia y Fisica del Espacio Casilla de Correos 67, Sucursal 28, 1428, Buenos Aires (Argentina); Gadella, M. [Facultad de Ciencias Exactas, Ingenieria y Agrimensura UNR, Rosario (Argentina) and Departamento de Fisica Teorica, Facultad de Ciencias c. Real de Burgos, s.n., 47011 Valladolid (Spain)]. E-mail: manuelgadella@yahoo.com.ar; Lara, L.P. [Facultad de Ciencias Exactas, Ingenieria y Agrimensura UNR, Rosario (Argentina)

    2006-11-15

    We study a type of one-dimensional dynamical systems on the corresponding two-dimensional phase space. By using arguments related to the existence of integrating factors for Pfaff equations, we show that some one-dimensional non-Hamiltonian systems like dissipative systems, admit a Hamiltonian description by sectors on the phase plane. This picture is not uniquely defined and is coordinate dependent. A simple example is exhaustively discussed. The method, is not always applicable to systems with higher dimensions.

  15. Theory of collective Hamiltonian

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Qingying

    1982-02-01

    Starting from the cranking model, we derive the nuclear collective Hamiltonian. We expand the total energy of the collective motion of the ground state of even--even nuclei in powers of the deformation parameter ..beta... In the first approximation, we only take the lowest-order non-vanished terms in the expansion. The collective Hamiltonian thus obtained rather differs from the A. Bohr's Hamiltonian obtained by the irrotational incompressible liquid drop model. If we neglect the coupling term between ..beta..-and ..gamma..-vibration, our Hamiltonian then has the same form as that of A. Bohr. But there is a difference between these collective parameters. Our collective parameters are determined by the state of motion of the nucleous in the nuclei. They are the microscopic expressions. On the contrary, A. Bohr's collective parameters are only the simple functions of the microscopic physical quantities (such as nuclear radius and surface tension, etc.), and independent of the state of motion of the nucleons in the nuclei. Furthermore, there exist the coupling term between ..beta..-and ..gamma..-vibration and the higher-order terms in our expansion. They can be treated as the perturbations. There are no such terms in A. Bohr's Hamiltonian. These perturbation terms will influence the rotational, vibrational spectra and the ..gamma..-transition process, etc.

  16. Hamiltonian reduction and supersymmetric mechanics with Dirac monopole

    International Nuclear Information System (INIS)

    Bellucci, Stefano; Nersessian, Armen; Yeranyan, Armen

    2006-01-01

    We apply the technique of Hamiltonian reduction for the construction of three-dimensional N=4 supersymmetric mechanics specified by the presence of a Dirac monopole. For this purpose we take the conventional N=4 supersymmetric mechanics on the four-dimensional conformally-flat spaces and perform its Hamiltonian reduction to three-dimensional system. We formulate the final system in the canonical coordinates, and present, in these terms, the explicit expressions of the Hamiltonian and supercharges. We show that, besides a magnetic monopole field, the resulting system is specified by the presence of a spin-orbit coupling term. A comparision with previous work is also carried out

  17. Galactic nuclei evolution with spinning black holes: method and implementation

    Science.gov (United States)

    Fiacconi, Davide; Sijacki, Debora; Pringle, J. E.

    2018-04-01

    Supermassive black holes at the centre of galactic nuclei mostly grow in mass through gas accretion over cosmic time. This process also modifies the angular momentum (or spin) of black holes, both in magnitude and in orientation. Despite being often neglected in galaxy formation simulations, spin plays a crucial role in modulating accretion power, driving jet feedback, and determining recoil velocity of coalescing black hole binaries. We present a new accretion model for the moving-mesh code AREPO that incorporates (i) mass accretion through a thin α-disc, and (ii) spin evolution through the Bardeen-Petterson effect. We use a diverse suite of idealised simulations to explore the physical connection between spin evolution and larger scale environment. We find that black holes with mass ≲ 107 M⊙ experience quick alignment with the accretion disc. This favours prolonged phases of spin-up, and the spin direction evolves according to the gas inflow on timescales as short as ≲ 100 Myr, which might explain the observed jet direction distribution in Seyfert galaxies. Heavier black holes (≳ 108 M⊙) are instead more sensitive to the local gas kinematic. Here we find a wider distribution in spin magnitudes: spin-ups are favoured if gas inflow maintains a preferential direction, and spin-downs occur for nearly isotropic infall, while the spin direction does not change much over short timescales ˜100 Myr. We therefore conclude that supermassive black holes with masses ≳ 5 × 108 M⊙ may be the ideal testbed to determine the main mode of black hole fuelling over cosmic time.

  18. Time dependent drift Hamiltonian

    International Nuclear Information System (INIS)

    Boozer, A.H.

    1982-04-01

    The motion of individual charged particles in a given magnetic and an electric fields is discussed. An idea of a guiding center distribution function f is introduced. The guiding center distribution function is connected to the asymptotic Hamiltonian through the drift kinetic equation. The general non-stochastic magnetic field can be written in a contravariant and a covariant forms. The drift Hamiltonian is proposed, and the canonical gyroradius is presented. The proposed drift Hamiltonian agrees with Alfven's drift velocity to lowest non-vanishing order in the gyroradius. The relation between the exact, time dependent equations of motion and the guiding center equation is clarified by a Lagrangian analysis. The deduced Lagrangian represents the drift motion. (Kato, T.)

  19. Lagrangian and Hamiltonian dynamics

    CERN Document Server

    Mann, Peter

    2018-01-01

    An introductory textbook exploring the subject of Lagrangian and Hamiltonian dynamics, with a relaxed and self-contained setting. Lagrangian and Hamiltonian dynamics is the continuation of Newton's classical physics into new formalisms, each highlighting novel aspects of mechanics that gradually build in complexity to form the basis for almost all of theoretical physics. Lagrangian and Hamiltonian dynamics also acts as a gateway to more abstract concepts routed in differential geometry and field theories and can be used to introduce these subject areas to newcomers. Journeying in a self-contained manner from the very basics, through the fundamentals and onwards to the cutting edge of the subject, along the way the reader is supported by all the necessary background mathematics, fully worked examples, thoughtful and vibrant illustrations as well as an informal narrative and numerous fresh, modern and inter-disciplinary applications. The book contains some unusual topics for a classical mechanics textbook. Mo...

  20. Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

    Science.gov (United States)

    García de la Vega, J M; Omar, S; San Fabián, J

    2017-04-01

    Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

  1. Spin-orbit coupling calculations with the two-component normalized elimination of the small component method

    Science.gov (United States)

    Filatov, Michael; Zou, Wenli; Cremer, Dieter

    2013-07-01

    A new algorithm for the two-component Normalized Elimination of the Small Component (2cNESC) method is presented and tested in the calculation of spin-orbit (SO) splittings for a series of heavy atoms and their molecules. The 2cNESC is a Dirac-exact method that employs the exact two-component one-electron Hamiltonian and thus leads to exact Dirac SO splittings for one-electron atoms. For many-electron atoms and molecules, the effect of the two-electron SO interaction is modeled by a screened nucleus potential using effective nuclear charges as proposed by Boettger [Phys. Rev. B 62, 7809 (2000), 10.1103/PhysRevB.62.7809]. The use of the screened nucleus potential for the two-electron SO interaction leads to accurate spinor energy splittings, for which the deviations from the accurate Dirac Fock-Coulomb values are on the average far below the deviations observed for other effective one-electron SO operators. For hydrogen halides HX (X = F, Cl, Br, I, At, and Uus) and mercury dihalides HgX2 (X = F, Cl, Br, I) trends in spinor energies and SO splittings as obtained with the 2cNESC method are analyzed and discussed on the basis of coupling schemes and the electronegativity of X.

  2. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael; Maganas, Dimitrios; Neese, Frank [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); DeBeer, Serena [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)

    2013-05-28

    A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S Prime = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with M{sub S}= S, Horizontal-Ellipsis , -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory/ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row

  3. A Hamiltonian approach to model and analyse networks of ...

    Indian Academy of Sciences (India)

    2015-09-24

    Sep 24, 2015 ... Gyroscopes; energy harvesters; synchronization; Hamiltonian mechanics. ... ideas and methods from nonlinear dynamics system theory, in particular, ... deploy highly sensitive, lowpower, magnetic and electric field sensors.

  4. Quantum simulation of spin models on an arbitrary lattice with trapped ions

    International Nuclear Information System (INIS)

    Korenblit, S; Kafri, D; Campbell, W C; Islam, R; Edwards, E E; Monroe, C; Gong, Z-X; Lin, G-D; Duan, L-M; Kim, J; Kim, K

    2012-01-01

    A collection of trapped atomic ions represents one of the most attractive platforms for the quantum simulation of interacting spin networks and quantum magnetism. Spin-dependent optical dipole forces applied to an ion crystal create long-range effective spin–spin interactions and allow the simulation of spin Hamiltonians that possess nontrivial phases and dynamics. Here we show how the appropriate design of laser fields can provide for arbitrary multidimensional spin–spin interaction graphs even for the case of a linear spatial array of ions. This scheme uses currently available trap technology and is scalable to levels where the classical methods of simulation are intractable. (paper)

  5. Port-Hamiltonian approaches to motion generation for mechanical systems

    NARCIS (Netherlands)

    Sakai, Satoru; Stramigioli, Stefano

    This paper gives new motion generation methods for mechanical port-Hamiltonian systems. First, we propose a generation method based on an asymptotic stabilization method without damping assignment. This asymptotic stabilization method preserves the Hamiltonian structure in the closed-loop system

  6. Effective magnetic Hamiltonians

    Czech Academy of Sciences Publication Activity Database

    Drchal, Václav; Kudrnovský, Josef; Turek, I.

    2013-01-01

    Roč. 26, č. 5 (2013), s. 1997-2000 ISSN 1557-1939 R&D Projects: GA ČR GA202/09/0775 Institutional support: RVO:68378271 Keywords : effective magnetic Hamiltonian * ab initio * magnetic structure Subject RIV: BE - Theoretical Physics Impact factor: 0.930, year: 2013

  7. Dissipative systems and Bateman's Hamiltonian

    International Nuclear Information System (INIS)

    Pedrosa, I.A.; Baseia, B.

    1983-01-01

    It is shown, by using canonical transformations, that one can construct Bateman's Hamiltonian from a Hamiltonian for a conservative system and obtain a clear physical interpretation which explains the ambiguities emerging from its application to describe dissipative systems. (Author) [pt

  8. Geometric spin frustration for isolated plaquettes of the lattices: An extended irreducible tensor operator method

    International Nuclear Information System (INIS)

    Wang Fan; Chen Zhida

    2006-01-01

    A new strategy to search for the good quantum numbers for the corner-sharing spin systems, as archetypal plaquettes of the lattices, was suggested for the first time in order to study on geometric spin frustration. The calculations on energy spectra by using the irreducible tensor operator method with the new strategy can be much reduced. As representative examples the energy spectra for the spin pentamer of the tetrahedron with a centered spin site and the spin heptamer of three corner-sharing equilateral-triangle were examined in order to confirm efficiency of the new strategy. Through our code, with automatically searching for the good quantum numbers, the projection operators S iz , S ix and S iy matrices in the ground state space for the spin heptamer were reliably constructed

  9. Tunable self-assembled spin chains of strongly interacting cold atoms for demonstration of reliable quantum state transfer

    DEFF Research Database (Denmark)

    Loft, N. J. S.; Marchukov, O. V.; Petrosyan, D.

    2016-01-01

    We have developed an efficient computational method to treat long, one-dimensional systems of strongly-interacting atoms forming self-assembled spin chains. Such systems can be used to realize many spin chain model Hamiltonians tunable by the external confining potential. As a concrete...... demonstration, we consider quantum state transfer in a Heisenberg spin chain and we show how to determine the confining potential in order to obtain nearly-perfect state transfer....

  10. How to fold a spin chain: Integrable boundaries of the Heisenberg XXX and Inozemtsev hyperbolic models

    Science.gov (United States)

    De La Rosa Gomez, Alejandro; MacKay, Niall; Regelskis, Vidas

    2017-04-01

    We present a general method of folding an integrable spin chain, defined on a line, to obtain an integrable open spin chain, defined on a half-line. We illustrate our method through two fundamental models with sl2 Lie algebra symmetry: the Heisenberg XXX and the Inozemtsev hyperbolic spin chains. We obtain new long-range boundary Hamiltonians and demonstrate that they exhibit Yangian symmetries, thus ensuring integrability of the models we obtain. The method presented provides a ;bottom-up; approach for constructing integrable boundaries and can be applied to any spin chain model.

  11. Phase transitions in the Hubbard Hamiltonian

    International Nuclear Information System (INIS)

    Chaves, C.M.; Lederer, P.; Gomes, A.A.

    1977-05-01

    Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques is studied, using the epsilon = 4 - d expansion to first order in epsilon. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. This coupling is pure imaginary, which has interesting consequences on the critical properties of this coupled field system. The effect of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

  12. Graphical calculus of volume, inverse volume and Hamiltonian operators in loop quantum gravity

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jinsong [Guizhou University, Department of Physics, Guiyang (China); Academia Sinica, Institute of Physics, Taipei (China); Ma, Yongge [Beijing Normal University, Department of Physics, Beijing (China)

    2017-04-15

    To adopt a practical method to calculate the action of geometrical operators on quantum states is a crucial task in loop quantum gravity. In this paper, the graphical calculus based on the original Brink graphical method is applied to loop quantum gravity along the line of previous work. The graphical method provides a very powerful technique for simplifying complicated calculations. The closed formula of the volume operator and the actions of the Euclidean Hamiltonian constraint operator and the so-called inverse volume operator on spin-network states with trivalent vertices are derived via the graphical method. By employing suitable and non-ambiguous graphs to represent the action of operators as well as the spin-network states, we use the simple rules of transforming graphs to obtain the resulting formula. Comparing with the complicated algebraic derivation in some literature, our procedure is more concise, intuitive and visual. The resulting matrix elements of the volume operator is compact and uniform, fitting for both gauge-invariant and gauge-variant spin-network states. Our results indicate some corrections to the existing results for the Hamiltonian operator and inverse volume operator in the literature. (orig.)

  13. Coherent states for quadratic Hamiltonians

    International Nuclear Information System (INIS)

    Contreras-Astorga, Alonso; Fernandez C, David J; Velazquez, Mercedes

    2011-01-01

    The coherent states for a set of quadratic Hamiltonians in the trap regime are constructed. A matrix technique which allows us to directly identify the creation and annihilation operators will be presented. Then, the coherent states as simultaneous eigenstates of the annihilation operators will be derived, and will be compared with those attained through the displacement operator method. The corresponding wavefunction will be found, and a general procedure for obtaining several mean values involving the canonical operators in these states will be described. The results will be illustrated through the asymmetric Penning trap.

  14. Integrable and nonintegrable Hamiltonian systems

    International Nuclear Information System (INIS)

    Percival, I.

    1986-01-01

    Traditionally Hamiltonian systems with a finite number of degrees of freedom have been divided into those with few degrees of freedom which were supposed to exhibit some kind of regular ordered motions and those with large numbers of degrees of freedom for which the methods of statistical mechanics should be used. The last few decades have seen a complete change of view. The change of view affects almost all the practical applications, particularly in mathematical physics, which has been dominated for many decades by linear mathematics, coming from quantum theory. The authors consider how this change of view affects some specific applications of dynamics and also the relation between dynamical theory and applications

  15. A new method for large time behavior of degenerate viscous Hamilton–Jacobi equations with convex Hamiltonians

    KAUST Repository

    Cagnetti, Filippo; Gomes, Diogo A.; Mitake, Hiroyoshi; Tran, Hung V.

    2015-01-01

    We investigate large-time asymptotics for viscous Hamilton-Jacobi equations with possibly degenerate diffusion terms. We establish new results on the convergence, which are the first general ones concerning equations which are neither uniformly parabolic nor first order. Our method is based on the nonlinear adjoint method and the derivation of new estimates on long time averaging effects. It also extends to the case of weakly coupled systems.

  16. Quasi-superconformal algebras in two dimensions and hamiltonian reduction

    International Nuclear Information System (INIS)

    Romans, L.J.

    1991-01-01

    In the standard quantum hamiltonian reduction, constraining the SL(3, R) WZNW model leads to a model of Zamolodchikov's W 3 -symmetry. In recent work, Polyakov and Bershadsky have considered an alternative reduction which leads to a new algebra, W 3 2 , a nonlinear extension of the Virasoro algebra by a spin-1 current and two bosonic spin-3/2 currents. Motivated by this result, we display two new infinite series of nonlinear extended conformal algebras, containing 2N bosonic spin-3/2 currents and spin-1 Kac-Moody currents for either U(N) or Sp(2 N); the W 3 2 algebra appears as the N = 1 member of the U(N) series. We discuss the relationship between these algebras and the Knizhnik-Bershadsky superconformal algebras, and provide realisations in terms of free fields coupled to Kac-Moody currents. We propose a specific procedure for obtaining the algebras for general N through hamiltonian reduction. (orig.)

  17. Analysis of spin and gauge models with variational methods

    International Nuclear Information System (INIS)

    Dagotto, E.; Masperi, L.; Moreo, A.; Della Selva, A.; Fiore, R.

    1985-01-01

    Since independent-site (link) or independent-link (plaquette) variational states enhance the order or the disorder, respectively, in the treatment of spin (gauge) models, we prove that mixed states are able to improve the critical coupling while giving the qualitatively correct behavior of the relevant parameters

  18. Noncanonical Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Litteljohn, R.G.

    1986-01-01

    Noncanonical variables in Hamiltonian mechanics were first used by Lagrange in 1808. In spite of this, most work in Hamiltonian mechanics has been carried out in canonical variables, up to this day. One reason for this is that noncanonical coordinates are seldom needed for mechanical problems based on Lagrangians of the form L = T - V, where T is the kinetic energy and V is the potential energy. Of course, such Lagrangians arise naturally in celestial mechanics, and as a result they form the paradigms of nineteenth-century mechanics and have become enshrined in all the mechanics textbooks. Certain features of modern problems, however, lead to the use of noncanonical coordinates. Among these are issues of gauge invariance and singular Lagrange a Poisson structures. In addition, certain problems, like the flow of magnetic-field lines in physical space, are naturally formulated in terms of noncanonical coordinates. None of these features is present in the nineteenth-century paradigms of mechanics, but they do arise in problems involving particle motion in the presence of magnetic fields. For example, the motion of a particle in an electromagnetic wave is an important one in plasma physics, but the usual Hamiltonian formulation is gauge dependent. For this problem, noncanonical approaches based on Lagrangians in phase space lead to powerful computational techniques which are gauge invariant. In the limit of strong magnetic fields, particle motion becomes 'guiding-center motion'. Guiding-center motion is also best understood in terms of noncanonical coordinates. Finally the flow of magnetic-field lines through physical space is a Hamiltonian system which is best understood with noncanonical coordinates. No doubt many more systems will arise in the future for which these noncanonical techniques can be applied. (author)

  19. Instability in Hamiltonian systems

    Directory of Open Access Journals (Sweden)

    A. Pumarino

    2005-11-01

    Besides proving the existence of Arnold diffusion for a new family of three degrees of freedom Hamiltonian systems, another goal of this book is not only to show how Arnold-like results can be extended to substantially larger sets of parameters, but also how to obtain effective estimates on the splitting of separatrices size when the frequency of the perturbation belongs to open real sets.

  20. Discrete variational Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Lall, S; West, M

    2006-01-01

    The main contribution of this paper is to present a canonical choice of a Hamiltonian theory corresponding to the theory of discrete Lagrangian mechanics. We make use of Lagrange duality and follow a path parallel to that used for construction of the Pontryagin principle in optimal control theory. We use duality results regarding sensitivity and separability to show the relationship between generating functions and symplectic integrators. We also discuss connections to optimal control theory and numerical algorithms

  1. Hamiltonian Approach to 2+1 Dimensional Gravity

    Science.gov (United States)

    Cantini, L.; Menotti, P.; Seminara, D.

    2002-12-01

    It is shown that the reduced particle dynamics of 2+1 dimensional gravity in the maximally slicing gauge has hamiltonian form. We give the exact diffeomorphism which transforms the spinning cone metric in the Deser, Jackiw, 't Hooft gauge to the maximally slicing gauge. It is explicitly shown that the boundary term in the action, written in hamiltonian form gives the hamiltonian for the reduced particle dynamics. The quantum mechanical translation of the two particle hamiltonian gives rise to the logarithm of the Laplace-Beltrami operator on a cone whose angular deficit is given by the total energy of the system irrespective of the masses of the particles thus proving at the quantum level a conjecture by 't Hooft on the two particle dynamics.

  2. Approximate symmetries of Hamiltonians

    Science.gov (United States)

    Chubb, Christopher T.; Flammia, Steven T.

    2017-08-01

    We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by considering approximate symmetry operators, defined as unitary operators whose commutators with the Hamiltonian have norms that are sufficiently small. We show that when approximate symmetry operators can be restricted to the ground space while approximately preserving certain mutual commutation relations. We generalize the Stone-von Neumann theorem to matrices that approximately satisfy the canonical (Heisenberg-Weyl-type) commutation relations and use this to show that approximate symmetry operators can certify the degeneracy of the ground space even though they only approximately form a group. Importantly, the notions of "approximate" and "small" are all independent of the dimension of the ambient Hilbert space and depend only on the degeneracy in the ground space. Our analysis additionally holds for any gapped band of sufficiently small width in the excited spectrum of the Hamiltonian, and we discuss applications of these ideas to topological quantum phases of matter and topological quantum error correcting codes. Finally, in our analysis, we also provide an exponential improvement upon bounds concerning the existence of shared approximate eigenvectors of approximately commuting operators under an added normality constraint, which may be of independent interest.

  3. Quantum mechanical path integrals with Wiener measures for all polynomial Hamiltonians

    International Nuclear Information System (INIS)

    Klauder, J.R.; Daubechies, I.

    We construct arbitrary matrix elements of the quantum evolution operator for a wide class of self-adjoint canonical Hamiltonians, including those which are polynomial in the Heisenberg operators, as the limit of well-defined path integrals involving Wiener measure on phase space, as a diffusion constant diverges. A related construction achieves a similar result for an arbitrary spin Hamiltonian. (orig.)

  4. Problems with the definition of renormalized Hamiltonians for momentum-space renormalization transformations

    NARCIS (Netherlands)

    Enter, Aernout C.D. van; Fernández, Roberto

    For classical lattice systems with finite (Ising) spins, we show that the implementation of momentum-space renormalization at the level of Hamiltonians runs into the same type of difficulties as found for real-space transformations: Renormalized Hamiltonians are ill-defined in certain regions of the

  5. Hamiltonian dynamics for complex food webs

    Science.gov (United States)

    Kozlov, Vladimir; Vakulenko, Sergey; Wennergren, Uno

    2016-03-01

    We investigate stability and dynamics of large ecological networks by introducing classical methods of dynamical system theory from physics, including Hamiltonian and averaging methods. Our analysis exploits the topological structure of the network, namely the existence of strongly connected nodes (hubs) in the networks. We reveal new relations between topology, interaction structure, and network dynamics. We describe mechanisms of catastrophic phenomena leading to sharp changes of dynamics and hence completely altering the ecosystem. We also show how these phenomena depend on the structure of interaction between species. We can conclude that a Hamiltonian structure of biological interactions leads to stability and large biodiversity.

  6. Nonlinear Hamiltonian mechanics applied to molecular dynamics theory and computational methods for understanding molecular spectroscopy and chemical reactions

    CERN Document Server

    Farantos, Stavros C

    2014-01-01

    This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.

  7. Effective Hamiltonian for travelling discrete breathers

    Science.gov (United States)

    MacKay, Robert S.; Sepulchre, Jacques-Alexandre

    2002-05-01

    Hamiltonian chains of oscillators in general probably do not sustain exact travelling discrete breathers. However solutions which look like moving discrete breathers for some time are not difficult to observe in numerics. In this paper we propose an abstract framework for the description of approximate travelling discrete breathers in Hamiltonian chains of oscillators. The method is based on the construction of an effective Hamiltonian enabling one to describe the dynamics of the translation degree of freedom of moving breathers. Error estimate on the approximate dynamics is also studied. The concept of the Peierls-Nabarro barrier can be made clear in this framework. We illustrate the method with two simple examples, namely the Salerno model which interpolates between the Ablowitz-Ladik lattice and the discrete nonlinear Schrödinger system, and the Fermi-Pasta-Ulam chain.

  8. Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian.

    Science.gov (United States)

    Seino, Junji; Nakai, Hiromi

    2012-06-28

    An accurate and efficient scheme for two-component relativistic calculations at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level is presented. The present scheme, termed local unitary transformation (LUT), is based on the locality of the relativistic effect. Numerical assessments of the LUT scheme were performed in diatomic molecules such as HX and X(2) (X = F, Cl, Br, I, and At) and hydrogen halide clusters, (HX)(n) (X = F, Cl, Br, and I). Total energies obtained by the LUT method agree well with conventional IODKH results. The computational costs of the LUT method are drastically lower than those of conventional methods since in the former there is linear-scaling with respect to the system size and a small prefactor.

  9. Hamiltonian path integrals

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1982-01-01

    Problems related to consideration of operator nonpermutability in Hamiltonian path integral (HPI) are considered in the review. Integrals are investigated using trajectories in configuration space (nonrelativistic quantum mechanics). Problems related to trajectory integrals in HPI phase space are discussed: the problem of operator nonpermutability consideration (extra terms problem) and corresponding equivalence rules; ambiguity of HPI usual recording; transition to curvilinear coordinates. Problem of quantization of dynamical systems with couplings has been studied. As in the case of canonical transformations, quantization of the systems with couplings of the first kind requires the consideration of extra terms

  10. Quantum description of spin tunneling in magnetic molecules

    Science.gov (United States)

    Galetti, D.

    2007-01-01

    Starting from a phenomenological Hamiltonian originally written in terms of angular momentum operators we derive a new quantum angle-based Hamiltonian that allows for a discussion on the quantum spin tunneling. The study of the applicability of the present approach, carried out in calculations with a soluble quasi-spin model, shows that we are allowed to use our method in the description of physical systems such as the Mn12-acetate molecule, as well as the octanuclear iron cluster, Fe8, in a reliable way. With the present description the interpretation of the spin tunneling is seen to be direct, the spectra and energy barriers of those systems are obtained, and it is shown that they agree with the experimental ones.

  11. Neutron optics using transverse field neutron spin echo method

    International Nuclear Information System (INIS)

    Achiwa, Norio; Hino, Masahiro; Yamauchi, Yoshihiro; Takakura, Hiroyuki; Tasaki, Seiji; Akiyoshi, Tsunekazu; Ebisawa, Toru.

    1993-01-01

    A neutron spin echo (NSE) spectrometer with perpendicular magnetic field to the neutron scattering plane, using an iron yoke type electro-magnet has been developed. A combination of cold neutron guider, supermirror neutron polarizer of double reflection type and supermirror neutron analyser was adopted for the spectrometer. The first application of the NSE spectrometer to neutron optics by passing Larmor precessing neutrons through gas, solid and liquid materials of several different lengths which are inserted in one of the precession field have been examined. Preliminary NSE spectra of this sample geometry are discussed. (author)

  12. Hamiltonian formulation for the Martin-Taylor model

    International Nuclear Information System (INIS)

    Vasconcelos, D.B.; Viana, R.L.

    1993-01-01

    Locally stochastic layer and its optimization are studied. In order to accomplish this task, it is employed a Hamiltonian formulation of magnetic field line flow with a subsequent application of Escande-Doveil renormalization method which have been extensively used to obtain accurate estimates of stochasticity thresholds in systems exhibiting Hamiltonian chaos. (author)

  13. Model reduction of port-Hamiltonian systems as structured systems

    NARCIS (Netherlands)

    Polyuga, R.V.; Schaft, van der A.J.

    2010-01-01

    The goal of this work is to demonstrate that a specific projection-based model reduction method, which provides an H2 error bound, turns out to be applicable to port-Hamiltonian systems, preserving the port-Hamiltonian structure for the reduced order model, and, as a consequence, passivity.

  14. The hamiltonian structures of the KP hierarchy

    International Nuclear Information System (INIS)

    Das, A.; Panda, S.; Huang Wenjui

    1991-01-01

    We obtain the two hamiltonian structures of the KP hierarchy following the method of Drinfeld and Sokolov. We point out how the second structure of Drinfeld and Sokolov needs to be modified in the present case. We briefly comment on the connection between these structures and the W 1+∞ algebra. (orig.)

  15. The Hamiltonian structures of the KP hierarchy

    International Nuclear Information System (INIS)

    Das, A.; Panda, S.; Huang Wenjui

    1991-08-01

    We obtain the two Hamiltonian structures of the KP hierarchy following the method of Drinfeld and Sokolov. We point out how the second structure of Drinfeld and Sokolov needs to be modified in the present case. We briefly comment on the connection between these structures and the W 1+∞ algebra. (author). 18 refs

  16. Quasi exact solution of the Rabi Hamiltonian

    CERN Document Server

    Koç, R; Tuetuencueler, H

    2002-01-01

    A method is suggested to obtain the quasi exact solution of the Rabi Hamiltonian. It is conceptually simple and can be easily extended to other systems. The analytical expressions are obtained for eigenstates and eigenvalues in terms of orthogonal polynomials. It is also demonstrated that the Rabi system, in a particular case, coincides with the quasi exactly solvable Poeschl-Teller potential.

  17. Edge-disjoint Hamiltonian cycles in hypertournaments

    DEFF Research Database (Denmark)

    Thomassen, Carsten

    2006-01-01

    We introduce a method for reducing k-tournament problems, for k >= 3, to ordinary tournaments, that is, 2-tournaments. It is applied to show that a k-tournament on n >= k + 1 + 24d vertices (when k >= 4) or on n >= 30d + 2 vertices (when k = 3) has d edge-disjoint Hamiltonian cycles if and only...

  18. Hamiltonian quantum simulation with bounded-strength controls

    International Nuclear Information System (INIS)

    Bookatz, Adam D; Wocjan, Pawel; Viola, Lorenza

    2014-01-01

    We propose dynamical control schemes for Hamiltonian simulation in many-body quantum systems that avoid instantaneous control operations and rely solely on realistic bounded-strength control Hamiltonians. Each simulation protocol consists of periodic repetitions of a basic control block, constructed as a modification of an ‘Eulerian decoupling cycle,’ that would otherwise implement a trivial (zero) target Hamiltonian. For an open quantum system coupled to an uncontrollable environment, our approach may be employed to engineer an effective evolution that simulates a target Hamiltonian on the system while suppressing unwanted decoherence to the leading order, thereby allowing for dynamically corrected simulation. We present illustrative applications to both closed- and open-system simulation settings, with emphasis on simulation of non-local (two-body) Hamiltonians using only local (one-body) controls. In particular, we provide simulation schemes applicable to Heisenberg-coupled spin chains exposed to general linear decoherence, and show how to simulate Kitaev's honeycomb lattice Hamiltonian starting from Ising-coupled qubits, as potentially relevant to the dynamical generation of a topologically protected quantum memory. Additional implications for quantum information processing are discussed. (papers)

  19. Boosting nearest-neighbour to long-range integrable spin chains

    International Nuclear Information System (INIS)

    Bargheer, Till; Beisert, Niklas; Loebbert, Florian

    2008-01-01

    We present an integrability-preserving recursion relation for the explicit construction of long-range spin chain Hamiltonians. These chains are generalizations of the Haldane–Shastry and Inozemtsev models and they play an important role in recent advances in string/gauge duality. The method is based on arbitrary nearest-neighbour integrable spin chains and it sheds light on the moduli space of deformation parameters. We also derive the closed chain asymptotic Bethe equations. (letter)

  20. Phase transition in the non-degenerate Hubbard Hamiltonian

    International Nuclear Information System (INIS)

    Chaves, C.M.; Lederer, P.; Gomes, A.A.

    1976-01-01

    Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques, using the epsilon = 4 - d expansion to first order in epsilon, is studied. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. The possibility of tricritical behavior then emerges. The effects of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

  1. Recent achievements in the Hamiltonian treatment of the dynamics and motion of compact binaries in general relativity

    International Nuclear Information System (INIS)

    Schäfer, Gerhard

    2014-01-01

    The current knowledge in the post-Newtonian (PN) dynamics and motion of non-spinning and spinning compact binaries will be presented based on the Arnowitt-Deser-Misner Hamiltonian approach to general relativity. The presentation will cover the binary dynamics with non-spinning components up to the 4PN order and for spinning binaries up to the next-to-next-to-leading order in the spin-orbit and spin-spin couplings. Radiation reaction will be treated for both non-spinning and spinning binaries. Explicit analytic expressions for the motion will be given, innermost stable circular orbits will be discussed

  2. Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin-spin coupling tensors in the matrix Dirac-Kohn-Sham framework

    International Nuclear Information System (INIS)

    Repisky, Michal; Komorovsky, Stanislav; Malkina, Olga L.; Malkin, Vladimir G.

    2009-01-01

    The relativistic four-component density functional approach based on the use of restricted magnetically balanced basis (mDKS-RMB), applied recently for calculations of NMR shielding, was extended for calculations of NMR indirect nuclear spin-spin coupling constants. The unperturbed equations are solved with the use of a restricted kinetically balanced basis set for the small component while to solve the second-order coupled perturbed DKS equations a restricted magnetically balanced basis set for the small component was applied. Benchmark relativistic calculations have been carried out for the X-H and H-H spin-spin coupling constants in the XH 4 series (X = C, Si, Ge, Sn and Pb). The method provides an attractive alternative to existing approximate two-component methods with transformed Hamiltonians for relativistic calculations of spin-spin coupling constants of heavy-atom systems. In particular, no picture-change effects arise in our method for property calculations

  3. Partition functions with spin in AdS2 via quasinormal mode methods

    International Nuclear Information System (INIS)

    Keeler, Cynthia; Lisbão, Pedro; Ng, Gim Seng

    2016-01-01

    We extend the results of http://dx.doi.org/10.1007/JHEP06(2014)099, computing one loop partition functions for massive fields with spin half in AdS 2 using the quasinormal mode method proposed by Denef, Hartnoll, and Sachdev http://dx.doi.org/10.1088/0264-9381/27/12/125001. We find the finite representations of SO(2,1) for spin zero and spin half, consisting of a highest weight state |h〉 and descendants with non-unitary values of h. These finite representations capture the poles and zeroes of the one loop determinants. Together with the asymptotic behavior of the partition functions (which can be easily computed using a large mass heat kernel expansion), these are sufficient to determine the full answer for the one loop determinants. We also discuss extensions to higher dimensional AdS 2n and higher spins.

  4. Partition functions with spin in AdS{sub 2} via quasinormal mode methods

    Energy Technology Data Exchange (ETDEWEB)

    Keeler, Cynthia [Niels Bohr International Academy, Niels Bohr Institute,University of Copenhagen, Blegdamsvej 17, DK 2100, Copenhagen (Denmark); Lisbão, Pedro [Department of Physics, University of Michigan,Ann Arbor, MI-48109 (United States); Ng, Gim Seng [Department of Physics, McGill University,Montréal, QC H3A 2T8 (Canada)

    2016-10-12

    We extend the results of http://dx.doi.org/10.1007/JHEP06(2014)099, computing one loop partition functions for massive fields with spin half in AdS{sub 2} using the quasinormal mode method proposed by Denef, Hartnoll, and Sachdev http://dx.doi.org/10.1088/0264-9381/27/12/125001. We find the finite representations of SO(2,1) for spin zero and spin half, consisting of a highest weight state |h〉 and descendants with non-unitary values of h. These finite representations capture the poles and zeroes of the one loop determinants. Together with the asymptotic behavior of the partition functions (which can be easily computed using a large mass heat kernel expansion), these are sufficient to determine the full answer for the one loop determinants. We also discuss extensions to higher dimensional AdS{sub 2n} and higher spins.

  5. Robust online Hamiltonian learning

    International Nuclear Information System (INIS)

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

    2012-01-01

    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. (paper)

  6. Chromatic roots and hamiltonian paths

    DEFF Research Database (Denmark)

    Thomassen, Carsten

    2000-01-01

    We present a new connection between colorings and hamiltonian paths: If the chromatic polynomial of a graph has a noninteger root less than or equal to t(n) = 2/3 + 1/3 (3)root (26 + 6 root (33)) + 1/3 (3)root (26 - 6 root (33)) = 1.29559.... then the graph has no hamiltonian path. This result...

  7. Periodic solutions of asymptotically linear Hamiltonian systems without twist conditions

    Energy Technology Data Exchange (ETDEWEB)

    Cheng Rong [Coll. of Mathematics and Physics, Nanjing Univ. of Information Science and Tech., Nanjing (China); Dept. of Mathematics, Southeast Univ., Nanjing (China); Zhang Dongfeng [Dept. of Mathematics, Southeast Univ., Nanjing (China)

    2010-05-15

    In dynamical system theory, especially in many fields of applications from mechanics, Hamiltonian systems play an important role, since many related equations in mechanics can be written in an Hamiltonian form. In this paper, we study the existence of periodic solutions for a class of Hamiltonian systems. By applying the Galerkin approximation method together with a result of critical point theory, we establish the existence of periodic solutions of asymptotically linear Hamiltonian systems without twist conditions. Twist conditions play crucial roles in the study of periodic solutions for asymptotically linear Hamiltonian systems. The lack of twist conditions brings some difficulty to the study. To the authors' knowledge, very little is known about the case, where twist conditions do not hold. (orig.)

  8. Sdg interacting boson hamiltonian in the seniority scheme

    Energy Technology Data Exchange (ETDEWEB)

    Yoshinaga, N.

    1989-03-06

    The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagnoalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

  9. sdg Interacting boson hamiltonian in the seniority scheme

    Science.gov (United States)

    Yoshinaga, N.

    1989-03-01

    The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagonalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

  10. Dose evaluation due to electron spin resonance method

    International Nuclear Information System (INIS)

    Nakajima, Toshiyuki

    1989-01-01

    Radiation dosimeter has been developed with free radical created in sucrose. Free radical was observed with using the electron spin resonance (ESR) equipment. The ESR absorption due to free radical in sucrose appeared at the magnetic field between the third and fourth ESR ones of Mn +2 standard sample. Sucrose as radiation dosimeter can linearly measure the dose from 5 x 10 -3 Gy to 10 5 Gy. If the new model of the ESR equipment is used and ESR observation is carried out at lower temperature such as liquid nitrogen or liquid helium temperature, the sucrose ESR dosimeter will be detectable about 5 x 10 -4 Gy or less. Fading of the free radicals in the irradiated sucrose was scarcely obtained about six months after irradiation and in the irradiated sucrose stored at 55deg C and 100deg C for one hour or more also scarcely observed. It is concluded from these radiation property that sucrose is useful for the accidental or emergency dosimeter for the inhabitants. (author)

  11. Generalized internal long wave equations: construction, hamiltonian structure and conservation laws

    International Nuclear Information System (INIS)

    Lebedev, D.R.

    1982-01-01

    Some aspects of the theory of the internal long-wave equations (ILW) are considered. A general class of the ILW type equations is constructed by means of the Zakharov-Shabat ''dressing'' method. Hamiltonian structure and infinite numbers of conservation laws are introduced. The considered equations are shown to be Hamiltonian in the so-called second Hamiltonian structu

  12. The hamiltonian index of a graph and its branch-bonds

    NARCIS (Netherlands)

    Xiong, Liming; Broersma, Haitze J.; Li, Xueliang; Li, Xueliang; Li, MingChu

    2004-01-01

    Let G be an undirected and loopless finite graph that is not a path. The smallest integer m such that the iterated line graph Lm(G) is hamiltonian is called the hamiltonian index of G, denoted by h(G). A reduction method to determine the hamiltonian index of a graph G with h(G) ≤ 2 is given here. We

  13. Spin Relaxation and Manipulation in Spin-orbit Qubits

    Science.gov (United States)

    Borhani, Massoud; Hu, Xuedong

    2012-02-01

    We derive a generalized form of the Electric Dipole Spin Resonance (EDSR) Hamiltonian in the presence of the spin-orbit interaction for single spins in an elliptic quantum dot (QD) subject to an arbitrary (in both direction and magnitude) applied magnetic field. We predict a nonlinear behavior of the Rabi frequency as a function of the magnetic field for sufficiently large Zeeman energies, and present a microscopic expression for the anisotropic electron g-tensor. Similarly, an EDSR Hamiltonian is devised for two spins confined in a double quantum dot (DQD). Finally, we calculate two-electron-spin relaxation rates due to phonon emission, for both in-plane and perpendicular magnetic fields. Our results have immediate applications to current EDSR experiments on nanowire QDs, g-factor optimization of confined carriers, and spin decay measurements in DQD spin-orbit qubits.

  14. Influence of spin methods on the performance of polymer light-emitting devices

    International Nuclear Information System (INIS)

    Liu Chen; Zou Xuecheng; Yin Sheng; Zhang Wuxing

    2004-01-01

    Using the doped polymeric system composed of host poly(N-vinylcarbazole) and dopant coumarin 6, the morphology, phase distribution, and polymer molecular conformation of polymer films were investigated with optical and atomic force microscopy, UV-visible absorption spectra, and Fourier transform infrared reflectance spectroscopy. Results show that the film morphology and dopant distribution in the polymer films cast with the conventional method are dependent on the positions of polymer films. To avoid this negative effect, a new spin method was put forward by locating the specimen at an appropriate distance from the center of the spin plate during spin casting. It is found that polymer films prepared with the new method are more uniform and their electroluminescence performances are independent of the positions

  15. Measuring Pancharatnam's relative phase for SO(3) evolutions using spin polarimetry

    International Nuclear Information System (INIS)

    Larsson, Peter; Sjoeqvist, Erik

    2003-01-01

    In polarimetry, a superposition of internal quantal states is exposed to a single Hamiltonian and information about the evolution of the quantal states is inferred from projection measurements on the final superposition. In this framework, we here extend the polarimetric test of Pancharatnam's relative phase for spin-(1/2) proposed by Wagh and Rakhecha [Phys. Lett. A 197, 112 (1995)] to spin j≥1 undergoing noncyclic SO(3) evolution. We demonstrate that the output intensity for higher spin values is a polynomial function of the corresponding spin-(1/2) intensity. We further propose a general method to extract the noncyclic SO(3) phase and visibility by rigid translation of two π/2 spin flippers. Polarimetry on higher spin states may in practice be done with spin polarized atomic beams

  16. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hanquan, E-mail: hanquan.wang@gmail.com [School of Statistics and Mathematics, Yunnan University of Finance and Economics, Kunming, Yunnan Province, 650221 (China); Yunnan Tongchang Scientific Computing and Data Mining Research Center, Kunming, Yunnan Province, 650221 (China)

    2014-10-01

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method.

  17. A projection gradient method for computing ground state of spin-2 Bose–Einstein condensates

    International Nuclear Information System (INIS)

    Wang, Hanquan

    2014-01-01

    In this paper, a projection gradient method is presented for computing ground state of spin-2 Bose–Einstein condensates (BEC). We first propose the general projection gradient method for solving energy functional minimization problem under multiple constraints, in which the energy functional takes real functions as independent variables. We next extend the method to solve a similar problem, where the energy functional now takes complex functions as independent variables. We finally employ the method into finding the ground state of spin-2 BEC. The key of our method is: by constructing continuous gradient flows (CGFs), the ground state of spin-2 BEC can be computed as the steady state solution of such CGFs. We discretized the CGFs by a conservative finite difference method along with a proper way to deal with the nonlinear terms. We show that the numerical discretization is normalization and magnetization conservative and energy diminishing. Numerical results of the ground state and their energy of spin-2 BEC are reported to demonstrate the effectiveness of the numerical method

  18. Advanced fabrication method for the preparation of MOF thin films: Liquid-phase epitaxy approach meets spin coating method.

    KAUST Repository

    Chernikova, Valeriya; Shekhah, Osama; Eddaoudi, Mohamed

    2016-01-01

    Here we report a new and advanced method for the fabrication of highly oriented/polycrystalline metal-organic framework (MOF) thin films. Building on the attractive features of the liquid-phase epitaxy (LPE) approach, a facile spin coating method

  19. Effective Hamiltonian and low-lying eigenenergy clustering patterns of four-sublattice antiferromagnets

    DEFF Research Database (Denmark)

    Zhang, N.G.; Henley, C.L.; Rischel, C.

    2002-01-01

    We study the low-lying eigenenergy clustering patterns of quantum antiferromagnets with p sublattices (in particular p = 4). We treat each sublattice as a large spin, and using second-order degenerate perturbation theory, we derive the effective (biquadratic) Hamiltonian coupling the p large spins....... In order to compare with exact diagonalizations, the Hamiltonian is explicitly written for a finite-size lattice, and it contains information on energies of excited states as well as the ground state. The result is applied to the face-centered-cubic Type-I antiferromagnet of spin 1/2, including second...

  20. Vortices in spin-orbit-coupled Bose-Einstein condensates

    International Nuclear Information System (INIS)

    Radic, J.; Sedrakyan, T. A.; Galitski, V.; Spielman, I. B.

    2011-01-01

    Realistic methods to create vortices in spin-orbit-coupled Bose-Einstein condensates are discussed. It is shown that, contrary to common intuition, rotation of the trap containing a spin-orbit condensate does not lead to an equilibrium state with static vortex structures but gives rise instead to nonequilibrium behavior described by an intrinsically time-dependent Hamiltonian. We propose here the following alternative methods to induce thermodynamically stable static vortex configurations: (i) to rotate both the lasers and the anisotropic trap and (ii) to impose a synthetic Abelian field on top of synthetic spin-orbit interactions. Effective Hamiltonians for spin-orbit condensates under such perturbations are derived for most currently known realistic laser schemes that induce synthetic spin-orbit couplings. The Gross-Pitaevskii equation is solved for several experimentally relevant regimes. The new interesting effects include spatial separation of left- and right-moving spin-orbit condensates, the appearance of unusual vortex arrangements, and parity effects in vortex nucleation where the topological excitations are predicted to appear in pairs. All these phenomena are shown to be highly nonuniversal and depend strongly on a specific laser scheme and system parameters.

  1. Measurement of radical scavenging activity of irradiated Kampo extracts using ESR spin-trap method

    International Nuclear Information System (INIS)

    Ohta, Yui; Kawamura, Shoei; Ukai, Mitsuko; Nakamura, Hideo; Kikuchi, Masahiro; Kobayashi, Yasuhiko

    2014-01-01

    The radical scavenging activity (RSA) of 13 kinds of γ-ray irradiated Kampo extracts were studied by ESR spin-trap method. The RSA against alkoxy radical and hydroxyl radical were measured using new spin trapping reagent CYPMPO. The RSA against these two radicals were evaluated using GSH for alkoxy RSA and L-ascorbic acid for hydroxy RSA as a standard antioxidant reagent. We revealed that a few Kampo extracts showed high RSA against alkoxy radical and also hydroxy radical. This RSA of Kampo extracts was changed by γ-ray irradiation treatment. Using ESR spin-trap method, it is concluded that the effect of radiation treatment on RSA of Kampo extracts were able to detect. (author)

  2. Spin relaxation in quantum dots: Role of the phonon modulated spin-orbit interaction

    Science.gov (United States)

    Alcalde, A. M.; Romano, C. L.; Sanz, L.; Marques, G. E.

    2010-01-01

    We calculate the spin relaxation rates in a parabolic InSb quantum dots due to the spin interaction with acoustical phonons. We considered the deformation potential mechanism as the dominant electron-phonon coupling in the Pavlov-Firsov spin-phonon Hamiltonian. We analyze the behavior of the spin relaxation rates as a function of an external magnetic field and mean quantum dot radius. Effects of the spin admixture due to Dresselhaus contribution to spin-orbit interaction are also discussed.

  3. A High-Spin Rate Measurement Method for Projectiles Using a Magnetoresistive Sensor Based on Time-Frequency Domain Analysis.

    Science.gov (United States)

    Shang, Jianyu; Deng, Zhihong; Fu, Mengyin; Wang, Shunting

    2016-06-16

    Traditional artillery guidance can significantly improve the attack accuracy and overall combat efficiency of projectiles, which makes it more adaptable to the information warfare of the future. Obviously, the accurate measurement of artillery spin rate, which has long been regarded as a daunting task, is the basis of precise guidance and control. Magnetoresistive (MR) sensors can be applied to spin rate measurement, especially in the high-spin and high-g projectile launch environment. In this paper, based on the theory of a MR sensor measuring spin rate, the mathematical relationship model between the frequency of MR sensor output and projectile spin rate was established through a fundamental derivation. By analyzing the characteristics of MR sensor output whose frequency varies with time, this paper proposed the Chirp z-Transform (CZT) time-frequency (TF) domain analysis method based on the rolling window of a Blackman window function (BCZT) which can accurately extract the projectile spin rate. To put it into practice, BCZT was applied to measure the spin rate of 155 mm artillery projectile. After extracting the spin rate, the impact that launch rotational angular velocity and aspect angle have on the extraction accuracy of the spin rate was analyzed. Simulation results show that the BCZT TF domain analysis method can effectively and accurately measure the projectile spin rate, especially in a high-spin and high-g projectile launch environment.

  4. Alternative Hamiltonian representation for gravity

    Energy Technology Data Exchange (ETDEWEB)

    Rosas-RodrIguez, R [Instituto de Fisica, Universidad Autonoma de Puebla, Apdo. Postal J-48, 72570, Puebla, Pue. (Mexico)

    2007-11-15

    By using a Hamiltonian formalism for fields wider than the canonical one, we write the Einstein vacuum field equations in terms of alternative variables. This variables emerge from the Ashtekar's formalism for gravity.

  5. Alternative Hamiltonian representation for gravity

    International Nuclear Information System (INIS)

    Rosas-RodrIguez, R

    2007-01-01

    By using a Hamiltonian formalism for fields wider than the canonical one, we write the Einstein vacuum field equations in terms of alternative variables. This variables emerge from the Ashtekar's formalism for gravity

  6. Quantum Hamiltonian reduction and conformal field theories

    International Nuclear Information System (INIS)

    Bershadsky, M.

    1991-01-01

    It is proved that irreducible representation of the Virasoro algebra can be extracted from an irreducible representation space of the SL (2, R) current algebra by putting a constraint on the latter using the BRST formalism. Thus there is a SL(2, R) symmetry in the Virasoro algebra which is gauged and hidden. This construction of the Virasoro algebra is the quantum analog of the Hamiltonian reduction. The author then naturally leads to consider an SL(2, R) Wess-Zumino-Witten model. This system is related to the quantum field theory of the coadjoint orbit of the Virasoro group. Based on this result he presents the canonical derivation of the SL(2, R) current algebra in Polyakov's theory of two dimensional gravity; it is manifestation of the SL(2, R) symmetry in the conformal field theory hidden by the quantum Hamiltonian reduction. He discusses the quantum Hamiltonian reduction of the SL(n, R) current algebra for the general type of constraints labeled by index 1 ≤ l ≤ (n - 1) and claim that it leads to the new extended conformal algebras W n l . For l = 1 he recovers the well known W n algebra introduced by A. Zamolodchikov. For SL(3, R) Wess-Zumino-Witten model there are two different possibilities of constraining it. The first possibility gives the W 3 algebra, while the second leads to the new chiral algebra W 3 2 generated by the stress-energy tensor, two bosonic supercurrents with spins 3/2 and the U(1) current. He conjectures a Kac formula that describes the highly reducible representation for this algebra. He also makes some speculations concerning the structure of W gravity

  7. Scattering theory for Stark Hamiltonians

    International Nuclear Information System (INIS)

    Jensen, Arne

    1994-01-01

    An introduction to the spectral and scattering theory for Schroedinger operators is given. An abstract short range scattering theory is developed. It is applied to perturbations of the Laplacian. Particular attention is paid to the study of Stark Hamiltonians. The main result is an explanation of the discrepancy between the classical and the quantum scattering theory for one-dimensional Stark Hamiltonians. (author). 47 refs

  8. Thermal transport through a spin-phonon interacting junction: A nonequilibrium Green's function method study

    Science.gov (United States)

    Zhang, Zu-Quan; Lü, Jing-Tao

    2017-09-01

    Using the nonequilibrium Green's function method, we consider heat transport in an insulating ferromagnetic spin chain model with spin-phonon interaction under an external magnetic field. Employing the Holstein-Primakoff transformation to the spin system, we treat the resulted magnon-phonon interaction within the self-consistent Born approximation. We find the magnon-phonon coupling can change qualitatively the magnon thermal conductance in the high-temperature regime. At a spectral mismatched ferromagnetic-normal insulator interface, we also find thermal rectification and negative differential thermal conductance due to the magnon-phonon interaction. We show that these effects can be effectively tuned by the external applied magnetic field, a convenient advantage absent in anharmonic phonon and electron-phonon systems studied before.

  9. EMR-related problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians

    Directory of Open Access Journals (Sweden)

    Rudowicz Czesław

    2015-07-01

    Full Text Available The interface between optical spectroscopy, electron magnetic resonance (EMR, and magnetism of transition ions forms the intricate web of interrelated notions. Major notions are the physical Hamiltonians, which include the crystal field (CF (or equivalently ligand field (LF Hamiltonians, and the effective spin Hamiltonians (SH, which include the zero-field splitting (ZFS Hamiltonians as well as to a certain extent also the notion of magnetic anisotropy (MA. Survey of recent literature has revealed that this interface, denoted CF (LF ↔ SH (ZFS, has become dangerously entangled over the years. The same notion is referred to by three names that are not synonymous: CF (LF, SH (ZFS, and MA. In view of the strong need for systematization of nomenclature aimed at bringing order to the multitude of different Hamiltonians and the associated quantities, we have embarked on this systematization. In this article, we do an overview of our efforts aimed at providing a deeper understanding of the major intricacies occurring at the CF (LF ↔ SH (ZFS interface with the focus on the EMR-related problems for transition ions.

  10. Study of superdeformation at zero spin with Skyrme-Hartree-Fock method

    Energy Technology Data Exchange (ETDEWEB)

    Takahara, S; Tajima, N; Onishi, N [Tokyo Univ. (Japan)

    1998-03-01

    Superdeformed (SD) bands have been studied extensively both experimentally and theoretically in the last decade. Since the first observation in {sup 152}Dy in 1986, SD bands have been found in four mass regions, i.e., A {approx} 80, 130, 150 and 190. While these SD bands have been observed only at high spins so far, they may also be present at zero spin like fission isomers in actinide nuclei: The familiar generic argument on the strong shell effect at axis ratio 2:1 does not assume rotations. If non-fissile SD isomers exist at zero spin, they may be utilized to develop new experimental methods to study exotic states, in a similar manner as short-lived high-spin isomers are planned to be utilized as projectiles of fusion reactions in order to populate very high-spin near-yrast states. They will also be useful to test theoretical models whether the models can describe correctly the large deformations of rare-earth nuclei without further complications due to rotations. In this report, we employ the Skyrme-Hartree-Fock method to study the SD states at zero spin. First, we compare various Skyrme force parameter sets to test whether they can reproduce the extrapolated excitation energy of the SD band head of {sup 194}Hg. Second, we systematically search large-deformation solutions with the SkM{sup *} force. The feature of our calculations is that the single-particle wavefunctions are expressed in a three-dimensional-Cartesian-mesh representation. This representation enables one to obtain solutions of various shapes (including SD) without preparing a basis specific to each shape. Solving the mean-field equations in this representation requires, however, a large amount of computation which can be accomplished only with present supercomputers. (author)

  11. Recursive tridiagonalization of infinite dimensional Hamiltonians

    International Nuclear Information System (INIS)

    Haydock, R.; Oregon Univ., Eugene, OR

    1989-01-01

    Infinite dimensional, computable, sparse Hamiltonians can be numerically tridiagonalized to finite precision using a three term recursion. Only the finite number of components whose relative magnitude is greater than the desired precision are stored at any stage in the computation. Thus the particular components stored change as the calculation progresses. This technique avoids errors due to truncation of the orbital set, and makes terminators unnecessary in the recursion method. (orig.)

  12. Hamiltonian theory of guiding-center motion

    International Nuclear Information System (INIS)

    Littlejohn, R.G.

    1980-05-01

    A Hamiltonian treatment of the guiding center problem is given which employs noncanonical coordinates in phase space. Separation of the unperturbed system from the perturbation is achieved by using a coordinate transformation suggested by a theorem of Darboux. As a model to illustrate the method, motion in the magnetic field B=B(x,y)z is studied. Lie transforms are used to carry out the perturbation expansion

  13. Quantization of non-Hamiltonian physical systems

    International Nuclear Information System (INIS)

    Bolivar, A.O.

    1998-09-01

    We propose a general method of quantization of non-Hamiltonian physical systems. Applying it, for example, to a dissipative system coupled to a thermal reservoir described by the Fokker-Planck equation, we are able to obtain the Caldeira-Leggett master equation, the non-linear Schroedinger-Langevin equation and Caldirola-Kanai equation (with an additional term), as particular cases. (author)

  14. Hamiltonian theory of guiding-center motion

    Energy Technology Data Exchange (ETDEWEB)

    Littlejohn, R.G.

    1980-05-01

    A Hamiltonian treatment of the guiding center problem is given which employs noncanonical coordinates in phase space. Separation of the unperturbed system from the perturbation is achieved by using a coordinate transformation suggested by a theorem of Darboux. As a model to illustrate the method, motion in the magnetic field B=B(x,y)z is studied. Lie transforms are used to carry out the perturbation expansion.

  15. Hamiltonian description of the ideal fluid

    International Nuclear Information System (INIS)

    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

  16. An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation.

    Science.gov (United States)

    Ilias, Miroslav; Saue, Trond

    2007-02-14

    The authors report the implementation of a simple one-step method for obtaining an infinite-order two-component (IOTC) relativistic Hamiltonian using matrix algebra. They apply the IOTC Hamiltonian to calculations of excitation and ionization energies as well as electric and magnetic properties of the radon atom. The results are compared to corresponding calculations using identical basis sets and based on the four-component Dirac-Coulomb Hamiltonian as well as Douglas-Kroll-Hess and zeroth-order regular approximation Hamiltonians, all implemented in the DIRAC program package, thus allowing a comprehensive comparison of relativistic Hamiltonians within the finite basis approximation.

  17. Difficult Sudoku Puzzles Created by Replica Exchange Monte Carlo Method

    OpenAIRE

    Watanabe, Hiroshi

    2013-01-01

    An algorithm to create difficult Sudoku puzzles is proposed. An Ising spin-glass like Hamiltonian describing difficulty of puzzles is defined, and difficult puzzles are created by minimizing the energy of the Hamiltonian. We adopt the replica exchange Monte Carlo method with simultaneous temperature adjustments to search lower energy states efficiently, and we succeed in creating a puzzle which is the world hardest ever created in our definition, to our best knowledge. (Added on Mar. 11, the ...

  18. A critical comparison of electrical methods for measuring spin-orbit torques

    Science.gov (United States)

    Zhang, Xuanzi; Hung, Yu-Ming; Rehm, Laura; Kent, Andrew D.

    Direct (DC) and alternating current (AC) transport measurements of spin-orbit torques (SOTs) in heavy metal-ferromagnet heterostructure with perpendicular magnetic anisotropy have been proposed and demonstrated. A DC method measures the change of perpendicular magnetization component while an AC method probes the first and second harmonic magnetization oscillation in responses to an AC current (~1 kHz). Here we conduct both types of measurements on β-Ta/CoFeB/MgO in the form of patterned Hall bars (20 μm linewidth) and compare the results. Experiments results are qualitatively in agreement with a macro spin model including Slonzewski-like and a field-like SOTs. However, the effective field from the ac method is larger than that obtained from the DC method. We discuss the possible origins of the discrepancy and its implications for quantitatively determining SOTs. Research supported by the SRC-INDEX program, NSF-DMR-1309202 and NYU-DURF award.

  19. Quantum critical spin-2 chain with emergent SU(3) symmetry.

    Science.gov (United States)

    Chen, Pochung; Xue, Zhi-Long; McCulloch, I P; Chung, Ming-Chiang; Huang, Chao-Chun; Yip, S-K

    2015-04-10

    We study the quantum critical phase of an SU(2) symmetric spin-2 chain obtained from spin-2 bosons in a one-dimensional lattice. We obtain the scaling of the finite-size energies and entanglement entropy by exact diagonalization and density-matrix renormalization group methods. From the numerical results of the energy spectra, central charge, and scaling dimension we identify the conformal field theory describing the whole critical phase to be the SU(3)_{1} Wess-Zumino-Witten model. We find that, while the Hamiltonian is only SU(2) invariant, in this critical phase there is an emergent SU(3) symmetry in the thermodynamic limit.

  20. Hamiltonian mechanics and divergence-free fields

    International Nuclear Information System (INIS)

    Boozer, A.H.

    1986-08-01

    The field lines, or integral curves, of a divergence-free field in three dimensions are shown to be topologically equivalent to the trajectories of a Hamiltonian with two degrees of freedom. The consideration of fields that depend on a parameter allow the construction of a canonical perturbation theory which is valid even if the perturbation is large. If the parametric dependence of the magnetic, or the vorticity field is interpreted as time dependence, evolution equations are obtained which give Kelvin's theorem or the flux conservation theorem for ideal fluids and plasmas. The Hamiltonian methods prove especially useful for study of fields in which the field lines must be known throughout a volume of space

  1. Hamiltonian reduction of Kac-Moody algebras

    International Nuclear Information System (INIS)

    Kimura, Kazuhiro

    1991-01-01

    Feigin-Fucks construction provides us methods to treat rational conformal theories in terms of free fields. This formulation enables us to describe partition functions and correlation functions in the Fock space of free fields. There are several attempt extending to supersymmetric theories. In this report authors present an explicit calculation of the Hamiltonian reduction based on the free field realization. In spite of the results being well-known, the relations can be clearly understood in the language of bosons. Authors perform the hamiltonian reduction by imposing a constraint with appropriate gauge transformations which preserve the constraint. This approaches enables us to gives the geometric interpretation of super Virasoro algebras and relations of the super gravity. In addition, author discuss the properties of quantum groups by using the explicit form of the group element. It is also interesting to extend to super Kac-Moody algebras. (M.N.)

  2. Hamiltonian partial differential equations and applications

    CERN Document Server

    Nicholls, David; Sulem, Catherine

    2015-01-01

    This book is a unique selection of work by world-class experts exploring the latest developments in Hamiltonian partial differential equations and their applications. Topics covered within are representative of the field’s wide scope, including KAM and normal form theories, perturbation and variational methods, integrable systems, stability of nonlinear solutions as well as applications to cosmology, fluid mechanics and water waves. The volume contains both surveys and original research papers and gives a concise overview of the above topics, with results ranging from mathematical modeling to rigorous analysis and numerical simulation. It will be of particular interest to graduate students as well as researchers in mathematics and physics, who wish to learn more about the powerful and elegant analytical techniques for Hamiltonian partial differential equations.

  3. Nonequilibrium dynamics of spin-boson models from phase-space methods

    Science.gov (United States)

    Piñeiro Orioli, Asier; Safavi-Naini, Arghavan; Wall, Michael L.; Rey, Ana Maria

    2017-09-01

    An accurate description of the nonequilibrium dynamics of systems with coupled spin and bosonic degrees of freedom remains theoretically challenging, especially for large system sizes and in higher than one dimension. Phase-space methods such as the truncated Wigner approximation (TWA) have the advantage of being easily scalable and applicable to arbitrary dimensions. In this work we adapt the TWA to generic spin-boson models by making use of recently developed algorithms for discrete phase spaces [J. Schachenmayer, A. Pikovski, and A. M. Rey, Phys. Rev. X 5, 011022 (2015), 10.1103/PhysRevX.5.011022]. Furthermore we go beyond the standard TWA approximation by applying a scheme based on the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy of equations to our coupled spin-boson model. This allows us, in principle, to study how systematically adding higher-order corrections improves the convergence of the method. To test various levels of approximation we study an exactly solvable spin-boson model, which is particularly relevant for trapped-ion arrays. Using TWA and its BBGKY extension we accurately reproduce the time evolution of a number of one- and two-point correlation functions in several dimensions and for an arbitrary number of bosonic modes.

  4. Quantum Hamiltonian Physics with Supercomputers

    International Nuclear Information System (INIS)

    Vary, James P.

    2014-01-01

    The vision of solving the nuclear many-body problem in a Hamiltonian framework with fundamental interactions tied to QCD via Chiral Perturbation Theory is gaining support. The goals are to preserve the predictive power of the underlying theory, to test fundamental symmetries with the nucleus as laboratory and to develop new understandings of the full range of complex quantum phenomena. Advances in theoretical frameworks (renormalization and many-body methods) as well as in computational resources (new algorithms and leadership-class parallel computers) signal a new generation of theory and simulations that will yield profound insights into the origins of nuclear shell structure, collective phenomena and complex reaction dynamics. Fundamental discovery opportunities also exist in such areas as physics beyond the Standard Model of Elementary Particles, the transition between hadronic and quark–gluon dominated dynamics in nuclei and signals that characterize dark matter. I will review some recent achievements and present ambitious consensus plans along with their challenges for a coming decade of research that will build new links between theory, simulations and experiment. Opportunities for graduate students to embark upon careers in the fast developing field of supercomputer simulations is also discussed

  5. Quantum Hamiltonian Physics with Supercomputers

    Energy Technology Data Exchange (ETDEWEB)

    Vary, James P.

    2014-06-15

    The vision of solving the nuclear many-body problem in a Hamiltonian framework with fundamental interactions tied to QCD via Chiral Perturbation Theory is gaining support. The goals are to preserve the predictive power of the underlying theory, to test fundamental symmetries with the nucleus as laboratory and to develop new understandings of the full range of complex quantum phenomena. Advances in theoretical frameworks (renormalization and many-body methods) as well as in computational resources (new algorithms and leadership-class parallel computers) signal a new generation of theory and simulations that will yield profound insights into the origins of nuclear shell structure, collective phenomena and complex reaction dynamics. Fundamental discovery opportunities also exist in such areas as physics beyond the Standard Model of Elementary Particles, the transition between hadronic and quark–gluon dominated dynamics in nuclei and signals that characterize dark matter. I will review some recent achievements and present ambitious consensus plans along with their challenges for a coming decade of research that will build new links between theory, simulations and experiment. Opportunities for graduate students to embark upon careers in the fast developing field of supercomputer simulations is also discussed.

  6. NLO renormalization in the Hamiltonian truncation

    Science.gov (United States)

    Elias-Miró, Joan; Rychkov, Slava; Vitale, Lorenzo G.

    2017-09-01

    Hamiltonian truncation (also known as "truncated spectrum approach") is a numerical technique for solving strongly coupled quantum field theories, in which the full Hilbert space is truncated to a finite-dimensional low-energy subspace. The accuracy of the method is limited only by the available computational resources. The renormalization program improves the accuracy by carefully integrating out the high-energy states, instead of truncating them away. In this paper, we develop the most accurate ever variant of Hamiltonian Truncation, which implements renormalization at the cubic order in the interaction strength. The novel idea is to interpret the renormalization procedure as a result of integrating out exactly a certain class of high-energy "tail states." We demonstrate the power of the method with high-accuracy computations in the strongly coupled two-dimensional quartic scalar theory and benchmark it against other existing approaches. Our work will also be useful for the future goal of extending Hamiltonian truncation to higher spacetime dimensions.

  7. SOLVING THE HAMILTONIAN CYCLE PROBLEM USING SYMBOLIC DETERMINANTS

    OpenAIRE

    Ejov, V.; Filar, J. A.; Lucas, S. K.; Nelson, J. L.

    2006-01-01

    In this note we show how the Hamiltonian Cycle problem can be reduced to solving a system of polynomial equations related to the adjacency matrix of a graph. This system of equations can be solved using the method of Gröbner bases, but we also show how a symbolic determinant related to the adjacency matrix can be used to directly decide whether a graph has a Hamiltonian cycle.

  8. Hamiltonian description of the ideal fluid

    International Nuclear Information System (INIS)

    Morrison, P.J.

    1998-01-01

    The Hamiltonian viewpoint of fluid mechanical systems with few and infinite number of degrees of freedom is described. Rudimentary concepts of finite-degree-of-freedom Hamiltonian dynamics are reviewed, in the context of the passive advection of a scalar or tracer field by a fluid. The notions of integrability, invariant-tori, chaos, overlap criteria, and invariant-tori breakup are described in this context. Preparatory to the introduction of field theories, systems with an infinite number of degrees of freedom, elements of functional calculus and action principles of mechanics are reviewed. The action principle for the ideal compressible fluid is described in terms of Lagrangian or material variables. Hamiltonian systems in terms of noncanonical variables are presented, including several examples of Eulerian or inviscid fluid dynamics. Lie group theory sufficient for the treatment of reduction is reviewed. The reduction from Lagrangian to Eulerian variables is treated along with Clebsch variable decompositions. Stability in the canonical and noncanonical Hamiltonian contexts is described. Sufficient conditions for stability, such as Rayleigh-like criteria, are seen to be only sufficient in the general case because of the existence of negative-energy modes, which are possessed by interesting fluid equilibria. Linearly stable equilibria with negative energy modes are argued to be unstable when nonlinearity or dissipation is added. The energy-Casimir method is discussed and a variant of it that depends upon the notion of dynamical accessibility is described. The energy content of a perturbation about a general fluid equilibrium is calculated using three methods. copyright 1998 The American Physical Society

  9. Kinematics of semiclassical spin and spin fiber bundle associated with so(n) Lie-Poisson manifold

    International Nuclear Information System (INIS)

    Deriglazov, A A

    2013-01-01

    We describe geometric construction underlying the Lagrangian actions for non-Grassmann spinning particles proposed in our recent works. If we discard the spatial variables (the case of frozen spin), the problem reduces to formulation of a variational problem for Hamiltonian system on a manifold with so(n) Lie-Poisson bracket. To achieve this, we identify dynamical variables of the problem with coordinates of the base of a properly constructed fiber bundle. In turn, the fiber bundle is embedded as a surface into the phase space equipped with canonical Poisson bracket. This allows us to formulate the variational problem using the standard methods of Dirac theory for constrained systems.

  10. An efficient method for hybrid density functional calculation with spin-orbit coupling

    Science.gov (United States)

    Wang, Maoyuan; Liu, Gui-Bin; Guo, Hong; Yao, Yugui

    2018-03-01

    In first-principles calculations, hybrid functional is often used to improve accuracy from local exchange correlation functionals. A drawback is that evaluating the hybrid functional needs significantly more computing effort. When spin-orbit coupling (SOC) is taken into account, the non-collinear spin structure increases computing effort by at least eight times. As a result, hybrid functional calculations with SOC are intractable in most cases. In this paper, we present an approximate solution to this problem by developing an efficient method based on a mixed linear combination of atomic orbital (LCAO) scheme. We demonstrate the power of this method using several examples and we show that the results compare very well with those of direct hybrid functional calculations with SOC, yet the method only requires a computing effort similar to that without SOC. The presented technique provides a good balance between computing efficiency and accuracy, and it can be extended to magnetic materials.

  11. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    International Nuclear Information System (INIS)

    Liu Xuan; Ito, Haruhiko; Torikai, Eiko

    2012-01-01

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li n , Na n , K n , Rb n , and Cs n with n = 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  12. Gradient ascent pulse engineering approach to CNOT gates in donor electron spin quantum computing

    International Nuclear Information System (INIS)

    Tsai, D.-B.; Goan, H.-S.

    2008-01-01

    In this paper, we demonstrate how gradient ascent pulse engineering (GRAPE) optimal control methods can be implemented on donor electron spin qubits in semiconductors with an architecture complementary to the original Kane's proposal. We focus on the high fidelity controlled-NOT (CNOT) gate and we explicitly find the digitized control sequences for a controlled-NOT gate by optimizing its fidelity using the effective, reduced donor electron spin Hamiltonian with external controls over the hyperfine A and exchange J interactions. We then simulate the CNOT-gate sequence with the full spin Hamiltonian and find that it has an error of 10 -6 that is below the error threshold of 10 -4 required for fault-tolerant quantum computation. Also the CNOT gate operation time of 100 ns is 3 times faster than 297 ns of the proposed global control scheme.

  13. Hamiltonian formalisms and symmetries of the Pais–Uhlenbeck oscillator

    Directory of Open Access Journals (Sweden)

    Krzysztof Andrzejewski

    2014-12-01

    Full Text Available The study of the symmetry of Pais–Uhlenbeck oscillator initiated in Andrzejewski et al. (2014 [24] is continued with special emphasis put on the Hamiltonian formalism. The symmetry generators within the original Pais and Uhlenbeck Hamiltonian approach as well as the canonical transformation to the Ostrogradski Hamiltonian framework are derived. The resulting algebra of generators appears to be the central extension of the one obtained on the Lagrangian level; in particular, in the case of odd frequencies one obtains the centrally extended l-conformal Newton–Hooke algebra. In this important case the canonical transformation to an alternative Hamiltonian formalism (related to the free higher derivatives theory is constructed. It is shown that all generators can be expressed in terms of the ones for the free theory and the result agrees with that obtained by the orbit method.

  14. First principles of Hamiltonian medicine.

    Science.gov (United States)

    Crespi, Bernard; Foster, Kevin; Úbeda, Francisco

    2014-05-19

    We introduce the field of Hamiltonian medicine, which centres on the roles of genetic relatedness in human health and disease. Hamiltonian medicine represents the application of basic social-evolution theory, for interactions involving kinship, to core issues in medicine such as pathogens, cancer, optimal growth and mental illness. It encompasses three domains, which involve conflict and cooperation between: (i) microbes or cancer cells, within humans, (ii) genes expressed in humans, (iii) human individuals. A set of six core principles, based on these domains and their interfaces, serves to conceptually organize the field, and contextualize illustrative examples. The primary usefulness of Hamiltonian medicine is that, like Darwinian medicine more generally, it provides novel insights into what data will be productive to collect, to address important clinical and public health problems. Our synthesis of this nascent field is intended predominantly for evolutionary and behavioural biologists who aspire to address questions directly relevant to human health and disease.

  15. Variational identities and Hamiltonian structures

    International Nuclear Information System (INIS)

    Ma Wenxiu

    2010-01-01

    This report is concerned with Hamiltonian structures of classical and super soliton hierarchies. In the classical case, basic tools are variational identities associated with continuous and discrete matrix spectral problems, targeted to soliton equations derived from zero curvature equations over general Lie algebras, both semisimple and non-semisimple. In the super case, a supertrace identity is presented for constructing Hamiltonian structures of super soliton equations associated with Lie superalgebras. We illustrate the general theories by the KdV hierarchy, the Volterra lattice hierarchy, the super AKNS hierarchy, and two hierarchies of dark KdV equations and dark Volterra lattices. The resulting Hamiltonian structures show the commutativity of each hierarchy discussed and thus the existence of infinitely many commuting symmetries and conservation laws.

  16. Saturation recovery EPR spin-labeling method for quantification of lipids in biological membrane domains.

    Science.gov (United States)

    Mainali, Laxman; Camenisch, Theodore G; Hyde, James S; Subczynski, Witold K

    2017-12-01

    The presence of integral membrane proteins induces the formation of distinct domains in the lipid bilayer portion of biological membranes. Qualitative application of both continuous wave (CW) and saturation recovery (SR) electron paramagnetic resonance (EPR) spin-labeling methods allowed discrimination of the bulk, boundary, and trapped lipid domains. A recently developed method, which is based on the CW EPR spectra of phospholipid (PL) and cholesterol (Chol) analog spin labels, allows evaluation of the relative amount of PLs (% of total PLs) in the boundary plus trapped lipid domain and the relative amount of Chol (% of total Chol) in the trapped lipid domain [ M. Raguz, L. Mainali, W. J. O'Brien, and W. K. Subczynski (2015), Exp. Eye Res., 140:179-186 ]. Here, a new method is presented that, based on SR EPR spin-labeling, allows quantitative evaluation of the relative amounts of PLs and Chol in the trapped lipid domain of intact membranes. This new method complements the existing one, allowing acquisition of more detailed information about the distribution of lipids between domains in intact membranes. The methodological transition of the SR EPR spin-labeling approach from qualitative to quantitative is demonstrated. The abilities of this method are illustrated for intact cortical and nuclear fiber cell plasma membranes from porcine eye lenses. Statistical analysis (Student's t -test) of the data allowed determination of the separations of mean values above which differences can be treated as statistically significant ( P ≤ 0.05) and can be attributed to sources other than preparation/technique.

  17. Hamiltonian Monte Carlo study of the N=1 Wess-Zumino model on the lattice in 1+1 dimensions

    International Nuclear Information System (INIS)

    Schiller, A.

    1984-01-01

    1+1 dimensional models with restricted supersymmetry are studied. The problems of formulating supersymmetric models on the lattice are overcome by working in the Hamiltonian lattice formulation and using restricted supersymmetry algebra involving only the Hamiltonian. For the two-dimensional Wess-Zumino model a lattice Hamiltonian suitable for the local Hamiltonian method is obtained. Using this method field theoretical models with fermions and scalar Higgs fields are investigated. Emphasis is laid on supersymmetry breaking and soliton formation

  18. Invariant metrics for Hamiltonian systems

    International Nuclear Information System (INIS)

    Rangarajan, G.; Dragt, A.J.; Neri, F.

    1991-05-01

    In this paper, invariant metrics are constructed for Hamiltonian systems. These metrics give rise to norms on the space of homeogeneous polynomials of phase-space variables. For an accelerator lattice described by a Hamiltonian, these norms characterize the nonlinear content of the lattice. Therefore, the performance of the lattice can be improved by minimizing the norm as a function of parameters describing the beam-line elements in the lattice. A four-fold increase in the dynamic aperture of a model FODO cell is obtained using this procedure. 7 refs

  19. Application of the Ursell-Mayer method in the theory of spin-polarized atomic hydrogen

    International Nuclear Information System (INIS)

    Kilic, S.; Radelja, T.

    1981-01-01

    Employing the Ursell-Mayer method and Ljolje semi-free gas model analytic relations describing ground state properties (energy, pressure, compressibility, sound velocity, radial distribution function and one-particle density matrix) of spin-polarized atomic hydrogen were derived. The expressions are valid up to density 2 10 26 atoms/m 3 . It was found out that at density of 2 10 26 atoms/m 3 the condensation of particle in momentum space is 88% (at absolute zero). (orig.)

  20. Derivation of Green's function of a spin Calogero-Sutherland model by Uglov's method

    International Nuclear Information System (INIS)

    Nakai, Ryota; Kato, Yusuke

    2009-01-01

    The hole propagator of a spin 1/2 Calogero-Sutherland model is derived using Uglov's method, which maps the exact eigenfunctions of the model, called the Yangian Gelfand-Zetlin basis, to a limit of Macdonald polynomials (gl 2 -Jack polynomials). To apply this mapping method to the calculation of 1-particle Green's function, we confirm that the sum of the field annihilation operator ψ u + ψ ↓ on a Yangian Gelfand-Zetlin basis is transformed to the field annihilation operator ψ on gl 2 -Jack polynomials by the mapping. The resultant expression for the hole propagator for a finite-size system is written in terms of renormalized momenta and spin of quasi-holes, and the expression in the thermodynamic limit coincides with the earlier result derived by another method. We also discuss the singularity of the spectral function for a specific coupling parameter where the hole propagator of the spin Calogero-Sutherland model becomes equivalent to the dynamical colour correlation function of an SU(3) Haldane-Shastry model

  1. Derivation of Hamiltonians for accelerators

    Energy Technology Data Exchange (ETDEWEB)

    Symon, K.R.

    1997-09-12

    In this report various forms of the Hamiltonian for particle motion in an accelerator will be derived. Except where noted, the treatment will apply generally to linear and circular accelerators, storage rings, and beamlines. The generic term accelerator will be used to refer to any of these devices. The author will use the usual accelerator coordinate system, which will be introduced first, along with a list of handy formulas. He then starts from the general Hamiltonian for a particle in an electromagnetic field, using the accelerator coordinate system, with time t as independent variable. He switches to a form more convenient for most purposes using the distance s along the reference orbit as independent variable. In section 2, formulas will be derived for the vector potentials that describe the various lattice components. In sections 3, 4, and 5, special forms of the Hamiltonian will be derived for transverse horizontal and vertical motion, for longitudinal motion, and for synchrobetatron coupling of horizontal and longitudinal motions. Hamiltonians will be expanded to fourth order in the variables.

  2. Hamiltonian cycles in polyhedral maps

    Indian Academy of Sciences (India)

    We present a necessary and sufficient condition for existence of a contractible, non-separating and non-contractible separating Hamiltonian cycle in the edge graph of polyhedral maps on surfaces.We also present algorithms to construct such cycles whenever it exists where one of them is linear time and another is ...

  3. Maslov index for Hamiltonian systems

    Directory of Open Access Journals (Sweden)

    Alessandro Portaluri

    2008-01-01

    Full Text Available The aim of this article is to give an explicit formula for computing the Maslov index of the fundamental solutions of linear autonomous Hamiltonian systems in terms of the Conley-Zehnder index and the map time one flow.

  4. Hamiltonian formulation of the supermembrane

    International Nuclear Information System (INIS)

    Bergshoeff, E.; Sezgin, E.; Tanii, Y.

    1987-06-01

    The Hamiltonian formulation of the supermembrane theory in eleven dimensions is given. The covariant split of the first and second class constraints is exhibited, and their Dirac brackets are computed. Gauge conditions are imposed in such a way that the reparametrizations of the membrane with divergence free 2-vectors are unfixed. (author). 10 refs

  5. Relativistic non-Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Tarasov, Vasily E.

    2010-01-01

    Relativistic particle subjected to a general four-force is considered as a nonholonomic system. The nonholonomic constraint in four-dimensional space-time represents the relativistic invariance by the equation for four-velocity u μ u μ + c 2 = 0, where c is the speed of light in vacuum. In the general case, four-forces are non-potential, and the relativistic particle is a non-Hamiltonian system in four-dimensional pseudo-Euclidean space-time. We consider non-Hamiltonian and dissipative systems in relativistic mechanics. Covariant forms of the principle of stationary action and the Hamilton's principle for relativistic mechanics of non-Hamiltonian systems are discussed. The equivalence of these principles is considered for relativistic particles subjected to potential and non-potential forces. We note that the equations of motion which follow from the Hamilton's principle are not equivalent to the equations which follow from the variational principle of stationary action. The Hamilton's principle and the principle of stationary action are not compatible in the case of systems with nonholonomic constraint and the potential forces. The principle of stationary action for relativistic particle subjected to non-potential forces can be used if the Helmholtz conditions are satisfied. The Hamilton's principle and the principle of stationary action are equivalent only for a special class of relativistic non-Hamiltonian systems.

  6. Passivation properties of alumina for multicrystalline silicon nanostructure prepared by spin-coating method

    Science.gov (United States)

    Jiang, Ye; Shen, Honglie; Yang, Wangyang; Zheng, Chaofan; Tang, Quntao; Yao, Hanyu; Raza, Adil; Li, Yufang; Huang, Chunlai

    2018-02-01

    In this paper, we report passivation properties of inverted pyramidal nanostructure based multi-crystalline silicon (mc-Si) by Al2O3 films with spin-coating method. Precursors AlCl3 and Al(acac)3 for Al2O3 films were chosen for comparison. Al2O3/SiO x stacks were found to be able to passivate the nanostructured surface well. With the number of spin-coating up to five, the Al2O3 films could conformally attach the nanostructure. The weighted average reflectance values (ranging from 400-900 nm) of the passivated silicon surface could be reduced to 10.74% (AlCl3) and 11.12% (Al(acac)3), and the effective carrier lifetime could reach 7.84 and 16.98 μs, respectively. This work presented a potential process to fabricate low cost high efficiency mc-Si solar cells.

  7. Equation-of-motion coupled cluster method for high spin double electron attachment calculations

    Energy Technology Data Exchange (ETDEWEB)

    Musiał, Monika, E-mail: musial@ich.us.edu.pl; Lupa, Łukasz; Kucharski, Stanisław A. [Institute of Chemistry, University of Silesia, Szkolna 9, 40-006 Katowice (Poland)

    2014-03-21

    The new formulation of the equation-of-motion (EOM) coupled cluster (CC) approach applicable to the calculations of the double electron attachment (DEA) states for the high spin components is proposed. The new EOM equations are derived for the high spin triplet and quintet states. In both cases the new equations are easier to solve but the substantial simplification is observed in the case of quintets. Out of 21 diagrammatic terms contributing to the standard DEA-EOM-CCSDT equations for the R{sub 2} and R{sub 3} amplitudes only four terms survive contributing to the R{sub 3} part. The implemented method has been applied to the calculations of the excited states (singlets, triplets, and quintets) energies of the carbon and silicon atoms and potential energy curves for selected states of the Na{sub 2} (triplets) and B{sub 2} (quintets) molecules.

  8. Singular Value Decomposition Method to Determine Distance Distributions in Pulsed Dipolar Electron Spin Resonance.

    Science.gov (United States)

    Srivastava, Madhur; Freed, Jack H

    2017-11-16

    Regularization is often utilized to elicit the desired physical results from experimental data. The recent development of a denoising procedure yielding about 2 orders of magnitude in improvement in SNR obviates the need for regularization, which achieves a compromise between canceling effects of noise and obtaining an estimate of the desired physical results. We show how singular value decomposition (SVD) can be employed directly on the denoised data, using pulse dipolar electron spin resonance experiments as an example. Such experiments are useful in measuring distances and their distributions, P(r) between spin labels on proteins. In noise-free model cases exact results are obtained, but even a small amount of noise (e.g., SNR = 850 after denoising) corrupts the solution. We develop criteria that precisely determine an optimum approximate solution, which can readily be automated. This method is applicable to any signal that is currently processed with regularization of its SVD analysis.

  9. Bidisperse silica nanoparticles close-packed monolayer on silicon substrate by three step spin method

    Science.gov (United States)

    Khanna, Sakshum; Marathey, Priyanka; Utsav, Chaliawala, Harsh; Mukhopadhyay, Indrajit

    2018-05-01

    We present the studies on the structural properties of monolayer Bidisperse silica (SiO2) nanoparticles (BDS) on Silicon (Si-100) substrate using spin coating technique. The Bidisperse silica nanoparticle was synthesised by the modified sol-gel process. Nanoparticles on the substrate are generally assembled in non-close/close-packed monolayer (CPM) form. The CPM form is obtained by depositing the colloidal suspension onto the silicon substrate using complex techniques. Here we report an effective method for forming a monolayer of bidisperse silica nanoparticle by three step spin coating technique. The samples were prepared by mixing the monodisperse solutions of different particles size 40 and 100 nm diameters. The bidisperse silica nanoparticles were self-assembled on the silicon substrate forming a close-packed monolayer film. The scanning electron microscope images of bidisperse films provided in-depth film structure of the film. The maximum surface coverage obtained was around 70-80%.

  10. Topological color codes and two-body quantum lattice Hamiltonians

    Science.gov (United States)

    Kargarian, M.; Bombin, H.; Martin-Delgado, M. A.

    2010-02-01

    Topological color codes are among the stabilizer codes with remarkable properties from the quantum information perspective. In this paper, we construct a lattice, the so-called ruby lattice, with coordination number 4 governed by a two-body Hamiltonian. In a particular regime of coupling constants, in a strong coupling limit, degenerate perturbation theory implies that the low-energy spectrum of the model can be described by a many-body effective Hamiltonian, which encodes the color code as its ground state subspace. Ground state subspace corresponds to a vortex-free sector. The gauge symmetry Z2×Z2 of the color code could already be realized by identifying three distinct plaquette operators on the ruby lattice. All plaquette operators commute with each other and with the Hamiltonian being integrals of motion. Plaquettes are extended to closed strings or string-net structures. Non-contractible closed strings winding the space commute with Hamiltonian but not always with each other. This gives rise to exact topological degeneracy of the model. A connection to 2-colexes can be established via the coloring of the strings. We discuss it at the non-perturbative level. The particular structure of the two-body Hamiltonian provides a fruitful interpretation in terms of mapping onto bosons coupled to effective spins. We show that high-energy excitations of the model have fermionic statistics. They form three families of high-energy excitations each of one color. Furthermore, we show that they belong to a particular family of topological charges. The emergence of invisible charges is related to the string-net structure of the model. The emerging fermions are coupled to nontrivial gauge fields. We show that for particular 2-colexes, the fermions can see the background fluxes in the ground state. Also, we use the Jordan-Wigner transformation in order to test the integrability of the model via introducing Majorana fermions. The four-valent structure of the lattice prevents the

  11. Deformed Fredkin spin chain with extensive entanglement

    Science.gov (United States)

    Salberger, Olof; Udagawa, Takuma; Zhang, Zhao; Katsura, Hosho; Klich, Israel; Korepin, Vladimir

    2017-06-01

    We introduce a new spin chain which is a deformation of the Fredkin spin chain and has a phase transition between bounded and extensive entanglement entropy scaling. In this chain, spins have a local interaction of three nearest neighbors. The Hamiltonian is frustration-free and its ground state can be described analytically as a weighted superposition of Dyck paths that depends on a deformation parameter t. In the purely spin 1/2 case, whenever t\

  12. Mathematical Modeling of Constrained Hamiltonian Systems

    NARCIS (Netherlands)

    Schaft, A.J. van der; Maschke, B.M.

    1995-01-01

    Network modelling of unconstrained energy conserving physical systems leads to an intrinsic generalized Hamiltonian formulation of the dynamics. Constrained energy conserving physical systems are directly modelled as implicit Hamiltonian systems with regard to a generalized Dirac structure on the

  13. Spin Accumulation of Spinor Atoms in Optical Lattices

    International Nuclear Information System (INIS)

    Li Hong; Jiang Zhanfeng

    2007-01-01

    We obtain an effective spin correlation Hamiltonian describing the interaction of light with a two-level atom, then we investigate the classical trajectory of the two-level atom system by numerical integration of the Heisenberg equation of motion. Our results show that the spin accumulation is a very popular phenomenon as long as the spin character cannot be ignored in the Hamiltonian. We propose experimental protocol to observe this new phenomenon in further experiments.

  14. Fast method of NMR imaging based on trains of spin echoes

    International Nuclear Information System (INIS)

    Hennel, F.

    1993-01-01

    A theoretical introduction to Fourier NMR imaging and a discussion of fast methods are presented. Then an application of the method of echo-planar imaging (EPI) with spin echoes in a micro-imaging system is described together with introduced modifications of the sequence. A new technique for the measurement of flow profiles in liquids which results from a modification of x-pulsed EPI is presented. The development of new software for a NMR micro-imaging system is described, too. 51 refs, 29 refs

  15. Notch filters for port-Hamiltonian systems

    NARCIS (Netherlands)

    Dirksz, D.A.; Scherpen, J.M.A.; van der Schaft, A.J.; Steinbuch, M.

    2012-01-01

    In this paper a standard notch filter is modeled in the port-Hamiltonian framework. By having such a port-Hamiltonian description it is proven that the notch filter is a passive system. The notch filter can then be interconnected with another (nonlinear) port-Hamiltonian system, while preserving the

  16. Constructing Dense Graphs with Unique Hamiltonian Cycles

    Science.gov (United States)

    Lynch, Mark A. M.

    2012-01-01

    It is not difficult to construct dense graphs containing Hamiltonian cycles, but it is difficult to generate dense graphs that are guaranteed to contain a unique Hamiltonian cycle. This article presents an algorithm for generating arbitrarily large simple graphs containing "unique" Hamiltonian cycles. These graphs can be turned into dense graphs…

  17. The Hamiltonian of QED. Zero mode

    International Nuclear Information System (INIS)

    Zastavenko, L.G.

    1990-01-01

    We start with the standard QED Lagrangian. New derivation of the spinor QED Hamiltonian is given. We have taken into account the zero mode. Our derivation is faultless from the point of view of gauge invariance. It gives important corrections to the standard QED Hamiltonian. Our derivation of the Hamiltonian can be generalized to the case of QCD. 5 refs

  18. Hamiltonian path integrals

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1982-01-01

    The properties of path integrals associated with the allowance for nonstandard terms reflecting the operator nature of the canonical variables are considered. Rules for treating such terms (''equivalence rules'') are formulated. Problems with a boundary, the behavior of path integrals under canonical transformations, and the problem of quantization of dynamical systems with constraints are considered in the framework of the method

  19. Determination of the amounts of C, CH, CH/sub 2/, and CH fragments by the spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-01-01

    A new method has been developed for the quantitative determination of the amounts of primary, secondary, tertiary, and quaternary carbon atoms in soluble products of coal origin which is based on pulsed sequence of /sup 13/C NMR spin echo.

  20. Optimal protocols for Hamiltonian and Schrödinger dynamics

    International Nuclear Information System (INIS)

    Schmiedl, Tim; Dieterich, Eckhard; Dieterich, Peter-Simon; Seifert, Udo

    2009-01-01

    For systems in an externally controllable time dependent potential, the optimal protocol minimizes the mean work spent in a finite time transition between given initial and final values of a control parameter. For an initially thermalized ensemble, we consider both Hamiltonian evolution for classical systems and Schrödinger evolution for quantum systems. In both cases, we show that for harmonic potentials, the optimal work is given by the adiabatic work even in the limit of short transition times. This result is counter-intuitive because the adiabatic work is substantially smaller than the work for an instantaneous jump. We also perform numerical calculations for the optimal protocol for Hamiltonian dynamics in an anharmonic quartic potential. For a two-level spin system, we give examples where the adiabatic work can be reached in either a finite or an arbitrarily short transition time depending on the allowed parameter space

  1. Determining the orientation and spin period of TOPEX/Poseidon satellite by a photometric method

    Science.gov (United States)

    Kudak, V. I.; Epishev, V. P.; Perig, V. M.; Neybauer, I. F.

    2017-07-01

    We present the results of photometric observations of the TOPEX/Poseidon satellite performed during 2008-2016. The satellite become space debris after a failure in January, 2006, in a low Earth orbit. In the Laboratory of Space Research of Uzhhorod National University 73 light curves of the spacecraft were obtained. Standardization of photometric light curves is briefly explained. We have calculated the color indices of reflecting surfaces and the spin rate change. The general tendency of the latter is described by an exponential decay function. The satellite spin periods based on 126 light curves (including 53 light curves from the MMT-9 project operating since 2014) were taken into account. In 2016 the period of its own rotation reached its minimum of 10.6 s. A method to derive the direction of the spin axis of an artificial satellite and the angles of the light scattered by its surface has been developed in the Laboratory of Space Research of Uzhhorod National University. We briefly describe the "Orientation" program used for these purposes. The orientation of the TOPEX/Poseidon satellite in mid-2016 is given. The angle of precession β = 45°-50° and period of precession P pr = 141.5 s have been defined. The reasons for the identified nature of the satellite's own rotation have been found. They amount to the perturbation caused by a deviation of the Earth gravity field from a central-symmetric shape and the presence of moving parts on the satellite.

  2. Linear perturbation renormalization group method for Ising-like spin systems

    Directory of Open Access Journals (Sweden)

    J. Sznajd

    2013-03-01

    Full Text Available The linear perturbation group transformation (LPRG is used to study the thermodynamics of the axial next-nearest-neighbor Ising model with four spin interactions (extended ANNNI in a field. The LPRG for weakly interacting Ising chains is presented. The method is used to study finite field para-ferrimagnetic phase transitions observed in layered uranium compounds, UAs1-xSex, UPd2Si2 or UNi2Si2. The above-mentioned systems are made of ferromagnetic layers and the spins from the nearest-neighbor and next-nearest-neighbor layers are coupled by the antiferromagnetic interactions J121-xSex the para-ferri phase transition is of the first order as expected from the symmetry reason, in UT2Si2 (T=Pd, Ni this transition seems to be a continuous one, at least in the vicinity of the multicritical point. Within the MFA, the critical character of the finite field para-ferrimagnetic transition at least at one isolated point can be described by the ANNNI model supplemented by an additional, e.g., four-spin interaction. However, in LPRG approximation for the ratio κ = J2/J1 around 0.5 there is a critical value of the field for which an isolated critical point also exists in the original ANNNI model. The positive four-spin interaction shifts the critical point towards higher fields and changes the shape of the specific heat curve. In the latter case for the fields small enough, the specific heat exhibits two-peak structure in the paramagnetic phase.

  3. On the effects of the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian

    International Nuclear Information System (INIS)

    Badnell, N.R.

    1997-01-01

    We have incorporated the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian, namely contact spin-spin, two-body Darwin and orbit-orbit, into the program AUTOSTRUCTURE. Illustrative results are presented, including some for reactions involving the process of autoionization. (author)

  4. Integrable Time-Dependent Quantum Hamiltonians

    Science.gov (United States)

    Sinitsyn, Nikolai A.; Yuzbashyan, Emil A.; Chernyak, Vladimir Y.; Patra, Aniket; Sun, Chen

    2018-05-01

    We formulate a set of conditions under which the nonstationary Schrödinger equation with a time-dependent Hamiltonian is exactly solvable analytically. The main requirement is the existence of a non-Abelian gauge field with zero curvature in the space of system parameters. Known solvable multistate Landau-Zener models satisfy these conditions. Our method provides a strategy to incorporate time dependence into various quantum integrable models while maintaining their integrability. We also validate some prior conjectures, including the solution of the driven generalized Tavis-Cummings model.

  5. Effective Hamiltonians for phosphorene and silicene

    DEFF Research Database (Denmark)

    Voon, L. C. Lew Yan; Lopez-Bezanilla, A.; Wang, J.

    2015-01-01

    We derived the effective Hamiltonians for silicene and phosphorene with strain, electric field andmagnetic field using the method of invariants. Our paper extends the work of Geissler et al 2013 (NewJ. Phys. 15 085030) on silicene, and Li and Appelbaum 2014 (Phys. Rev. B 90, 115439) on phosphorene.......For phosphorene, it is shown that the bands near the Brillouin zone center only have terms ineven powers of the wave vector. We predict that the energies change quadratically in the presence of aperpendicular external electric field but linearly in a perpendicular magnetic field, as opposed to thosefor silicene...

  6. Conductance and spin polarization for a quantum wire with the competition of Rashba and Dresselhaus spin-orbit coupling

    International Nuclear Information System (INIS)

    Fu Xi; Chen Zeshun; Zhong Feng; Zhou Guanghui

    2010-01-01

    We investigate theoretically the spin transport of a quantum wire (QW) with weak Rashba and Dresselhaus spin-orbit coupling (SOC) nonadiabatically connected to two normal leads. Using scattering matrix method and Landauer-Buettiker formula within effective free-electron approximation, we have calculated spin-dependent conductances G ↑ and G ↓ , total conductance G and spin polarization P z for a hard-wall potential confined QW. It is demonstrated that, the SOCs induce the splitting of G ↑ and G ↓ and form spin polarization P z . Moreover, the conductances present quantized plateaus, the plateaus and P z show oscillation structures near the subband edges. Furthermore, with the increase of QW width a strong spin polarization (P z ∼1) gradually becomes weak, which can be used to realize a spin filter. When the two SOCs coexist, the total conductance presents an isotropy transport due to the Rashba and Dresselhaus Hamiltonians being fixed, and the alteration of two SOCs strength ratio changes the sign of spin polarization. This may provide a way of realizing the expression of unit information by tuning gate voltage.

  7. Nonlinear Hamiltonian systems

    DEFF Research Database (Denmark)

    Jørgensen, Michael Finn

    1995-01-01

    It is generally very difficult to solve nonlinear systems, and such systems often possess chaotic solutions. In the rare event that a system is completely solvable, it is said to integrable. Such systems never have chaotic solutions. Using the Inverse Scattering Transform Method (ISTM) two...... particular configurations of the Discrete Self-Trapping (DST) system are shown to be completely solvable. One of these systems includes the Toda lattice in a certain limit. An explicit integration is carried through for this Near-Toda lattice. The Near-Toda lattice is then generalized to include singular...

  8. Spin tomography

    Energy Technology Data Exchange (ETDEWEB)

    D' Ariano, G M [Quantum Optics and Information Group, INFM Udr Pavia, Dipartimento di Fisica ' Alessandro Volta' and INFM, Via Bassi 6, 27100 Pavia (Italy); Maccone, L [Quantum Optics and Information Group, INFM Udr Pavia, Dipartimento di Fisica ' Alessandro Volta' and INFM, Via Bassi 6, 27100 Pavia (Italy); Paini, M [Quantum Optics and Information Group, INFM Udr Pavia, Dipartimento di Fisica ' Alessandro Volta' and INFM, Via Bassi 6, 27100 Pavia (Italy)

    2003-02-01

    We propose a tomographic reconstruction scheme for spin states. The experimental set-up, which is a modification of the Stern-Gerlach scheme, can be easily performed with currently available technology. The method is generalized to multiparticle states, analysing the spin-1/2 case for indistinguishable particles. Some Monte Carlo numerical simulations are given to illustrate the technique.

  9. Spin tomography

    International Nuclear Information System (INIS)

    D'Ariano, G M; Maccone, L; Paini, M

    2003-01-01

    We propose a tomographic reconstruction scheme for spin states. The experimental set-up, which is a modification of the Stern-Gerlach scheme, can be easily performed with currently available technology. The method is generalized to multiparticle states, analysing the spin-1/2 case for indistinguishable particles. Some Monte Carlo numerical simulations are given to illustrate the technique

  10. An extended discrete gradient formula for oscillatory Hamiltonian systems

    International Nuclear Information System (INIS)

    Liu Kai; Shi Wei; Wu Xinyuan

    2013-01-01

    In this paper, incorporating the idea of the discrete gradient method into the extended Runge–Kutta–Nyström integrator, we derive and analyze an extended discrete gradient formula for the oscillatory Hamiltonian system with the Hamiltonian H(p,q)= 1/2 p T p+ 1/2 q T Mq+U(q), where q:R→R d represents generalized positions, p:R→R d represents generalized momenta and M is an element of R dxd is a symmetric and positive semi-definite matrix. The solution of this system is a nonlinear oscillator. Basically, many nonlinear oscillatory mechanical systems with a partitioned Hamiltonian function lend themselves to this approach. The extended discrete gradient formula presented in this paper exactly preserves the energy H(p, q). We derive some properties of the new formula. The convergence is analyzed for the implicit schemes based on the discrete gradient formula, and it turns out that the convergence of the implicit schemes based on the extended discrete gradient formula is independent of ‖M‖, which is a significant property for the oscillatory Hamiltonian system. Thus, it transpires that a larger step size can be chosen for the new energy-preserving schemes than that for the traditional discrete gradient methods when applied to the oscillatory Hamiltonian system. Illustrative examples show the competence and efficiency of the new schemes in comparison with the traditional discrete gradient methods in the scientific literature. (paper)

  11. Computational quantum chemistry for single Heisenberg spin couplings made simple: Just one spin flip required

    International Nuclear Information System (INIS)

    Mayhall, Nicholas J.; Head-Gordon, Martin

    2014-01-01

    We highlight a simple strategy for computing the magnetic coupling constants, J, for a complex containing two multiradical centers. On the assumption that the system follows Heisenberg Hamiltonian physics, J is obtained from a spin-flip electronic structure calculation where only a single electron is excited (and spin-flipped), from the single reference with maximum S ^ z , M, to the M − 1 manifold, regardless of the number of unpaired electrons, 2M, on the radical centers. In an active space picture involving 2M orbitals, only one β electron is required, together with only one α hole. While this observation is extremely simple, the reduction in the number of essential configurations from exponential in M to only linear provides dramatic computational benefits. This (M, M − 1) strategy for evaluating J is an unambiguous, spin-pure, wave function theory counterpart of the various projected broken symmetry density functional theory schemes, and likewise gives explicit energies for each possible spin-state that enable evaluation of properties. The approach is illustrated on five complexes with varying numbers of unpaired electrons, for which one spin-flip calculations are used to compute J. Some implications for further development of spin-flip methods are discussed

  12. Hamiltonian PDEs and Frobenius manifolds

    International Nuclear Information System (INIS)

    Dubrovin, Boris A

    2008-01-01

    In the first part of this paper the theory of Frobenius manifolds is applied to the problem of classification of Hamiltonian systems of partial differential equations depending on a small parameter. Also developed is a deformation theory of integrable hierarchies including the subclass of integrable hierarchies of topological type. Many well-known examples of integrable hierarchies, such as the Korteweg-de Vries, non-linear Schroedinger, Toda, Boussinesq equations, and so on, belong to this subclass that also contains new integrable hierarchies. Some of these new integrable hierarchies may be important for applications. Properties of the solutions to these equations are studied in the second part. Consideration is given to the comparative study of the local properties of perturbed and unperturbed solutions near a point of gradient catastrophe. A Universality Conjecture is formulated describing the various types of critical behaviour of solutions to perturbed Hamiltonian systems near the point of gradient catastrophe of the unperturbed solution.

  13. Hamiltonian PDEs and Frobenius manifolds

    Energy Technology Data Exchange (ETDEWEB)

    Dubrovin, Boris A [Steklov Mathematical Institute, Russian Academy of Sciences, Moscow (Russian Federation)

    2008-12-31

    In the first part of this paper the theory of Frobenius manifolds is applied to the problem of classification of Hamiltonian systems of partial differential equations depending on a small parameter. Also developed is a deformation theory of integrable hierarchies including the subclass of integrable hierarchies of topological type. Many well-known examples of integrable hierarchies, such as the Korteweg-de Vries, non-linear Schroedinger, Toda, Boussinesq equations, and so on, belong to this subclass that also contains new integrable hierarchies. Some of these new integrable hierarchies may be important for applications. Properties of the solutions to these equations are studied in the second part. Consideration is given to the comparative study of the local properties of perturbed and unperturbed solutions near a point of gradient catastrophe. A Universality Conjecture is formulated describing the various types of critical behaviour of solutions to perturbed Hamiltonian systems near the point of gradient catastrophe of the unperturbed solution.

  14. Hamiltonian dynamics of extended objects

    Science.gov (United States)

    Capovilla, R.; Guven, J.; Rojas, E.

    2004-12-01

    We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler Lagrange equations.

  15. A Hamiltonian approach to Thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)

    2016-10-15

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

  16. Hamiltonian description of bubble dynamics

    International Nuclear Information System (INIS)

    Maksimov, A. O.

    2008-01-01

    The dynamics of a nonspherical bubble in a liquid is described within the Hamiltonian formalism. Primary attention is focused on the introduction of the canonical variables into the computational algorithm. The expansion of the Dirichlet-Neumann operator in powers of the displacement of a bubble wall from an equilibrium position is obtained in the explicit form. The first three terms (more specifically, the second-, third-, and fourth-order terms) in the expansion of the Hamiltonian in powers of the canonical variables are determined. These terms describe the spectrum and interaction of three essentially different modes, i.e., monopole oscillations (pulsations), dipole oscillations (translational motions), and surface oscillations. The cubic nonlinearity is analyzed for the problem associated with the generation of Faraday ripples on the wall of a bubble in an acoustic field. The possibility of decay processes occurring in the course of interaction of surface oscillations for the first fifteen (experimentally observed) modes is investigated.

  17. Hamiltonian dynamics of extended objects

    International Nuclear Information System (INIS)

    Capovilla, R; Guven, J; Rojas, E

    2004-01-01

    We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler-Lagrange equations

  18. Hamiltonian dynamics of extended objects

    Energy Technology Data Exchange (ETDEWEB)

    Capovilla, R [Departamento de FIsica, Centro de Investigacion y de Estudios Avanzados del IPN, Apdo Postal 14-740, 07000 Mexico, DF (Mexico); Guven, J [School of Theoretical Physics, Dublin Institute for Advanced Studies, 10 Burlington Road, Dublin 4 (Ireland); Rojas, E [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apdo Postal 70-543, 04510 Mexico, DF (Mexico)

    2004-12-07

    We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler-Lagrange equations.

  19. A Hamiltonian approach to Thermodynamics

    International Nuclear Information System (INIS)

    Baldiotti, M.C.; Fresneda, R.; Molina, C.

    2016-01-01

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

  20. On the domain of the Nelson Hamiltonian

    Science.gov (United States)

    Griesemer, M.; Wünsch, A.

    2018-04-01

    The Nelson Hamiltonian is unitarily equivalent to a Hamiltonian defined through a closed, semibounded quadratic form, the unitary transformation being explicitly known and due to Gross. In this paper, we study the mapping properties of the Gross-transform in order to characterize the regularity properties of vectors in the form domain of the Nelson Hamiltonian. Since the operator domain is a subset of the form domain, our results apply to vectors in the domain of the Hamiltonian as well. This work is a continuation of our previous work on the Fröhlich Hamiltonian.

  1. Hamiltonian systems in accelerator physics

    International Nuclear Information System (INIS)

    Laslett, L.J.

    1985-06-01

    General features of the design of annular particle accelerators or storage rings are outlined and the Hamiltonian character of individual-ion motion is indicated. Examples of phase plots are presented, for the motion in one spatial degree of freedom, of an ion subject to a periodic nonlinear focusing force. A canonical transformation describing coupled nonlinear motion also is given, and alternative types of graphical display are suggested for the investigation of long-term stability in such cases. 7 figs

  2. Determination of phthalate esters in physiological saline solution by monolithic silica spin column extraction method

    Directory of Open Access Journals (Sweden)

    Lu Lu

    2011-05-01

    Full Text Available Monolithic silica spin column extraction (MonoSpin-SPE was developed as a simple, sensitive, and eco-friendly pretreatment method which combined with ultra-fast liquid chromatography-mass spectrometry (UFLC-MS to determine the levels of six phthalate esters, dimethyl-(DMP, diethyl-(DEP, dipropyl- [DPrP], butyl-benzyl-(BBP, dicyclohexyl(DcHP, and di- n-octyl-(DOP phthalate in physiological saline samples. Under optimized experimental conditions, the method was linear in the following ranges: 0.2- 50 μ/L for DMP, DEP, DPrP, DcHP and DOP; 5 – 100 μ/L for BBP. The correlation coefficients (R2 were in the range of O. 9951 – O. 9995 for all the analytes and the limits of detection (LODs and limits of quantification (LOQs were in the ranges of 0.02 – 0.9 μ/L and 0.08 – 2.7 μ/L, respectively. The pretreatment process showed good reproducibility with inter-day and intra-day relative standard deviations (RSDs below 8.5% and 11.2%, respectively. This method was used to determine the levels of six phthalate esters in physiological saline samples and the recoveries ranged from 71.2% to 107. 3%. DMP and DEP were found in actual physical saline samples (brand A and brand B. Keywords: Monolithic silica spin column, Phthalate esters, Physiological saline samples, Ultra fast liquid chromatographymass spectrometry (UFLC-MS

  3. Nanosecond time-resolved EPR in pulse radiolysis via the spin echo method

    International Nuclear Information System (INIS)

    Trifunac, A.D.; Norris, J.R.; Lawler, R.G.

    1979-01-01

    The design and operation of a time-resolved electron spin echo spectrometer suitable for detecting transient radicals produced by 3 MeV electron radiolysis is described. Two modes of operation are available: Field swept mode which generates a normal EPR spectrum and kinetic mode in which the time dependence of a single EPR line is monitored. Techniques which may be used to minimize the effects of nonideal microwave pulses and overlapping sample tube signals are described. The principal advantages of the spin echo method over other time-resolved EPR methods are: (1) Improved time resolution (presently approx.30--50 nsec) allows monitoring of fast changes in EPR signals of transient radicals, (2) Lower susceptibility to interference between the EPR signal and the electron beam pulse at short times, and (3) Lack of dependence of transient signals on microwave field amplitude or static field inhomogeneity at short times. The performance of the instrument is illustrated using CIDEP from acetate radical formed in pulsed radiolysis of aqueous solutions of potassium acetate. The relaxation time and CIDEP enhancement factor obtained for this radical using the spin echo method compare favorably with previous determinations using direct detection EPR. Radical decay rates yield estimates of initial radical concentrations of 10 -4 10 -3 M per electron pulse. The Bloch equations are solved to give an expression for the echo signal for samples exhibiting CIDEP using arbitrary microwave pulse widths and distributions of Larmor frequencies. Conditions are discussed under which the time-dependent signal would be distorted by deviations from an ideal nonselective 90 0 --tau--180 0 pulse sequence

  4. Contact symmetries and Hamiltonian thermodynamics

    International Nuclear Information System (INIS)

    Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

    2015-01-01

    It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production

  5. Hamiltonian dynamics of preferential attachment

    International Nuclear Information System (INIS)

    Zuev, Konstantin; Papadopoulos, Fragkiskos; Krioukov, Dmitri

    2016-01-01

    Prediction and control of network dynamics are grand-challenge problems in network science. The lack of understanding of fundamental laws driving the dynamics of networks is among the reasons why many practical problems of great significance remain unsolved for decades. Here we study the dynamics of networks evolving according to preferential attachment (PA), known to approximate well the large-scale growth dynamics of a variety of real networks. We show that this dynamics is Hamiltonian, thus casting the study of complex networks dynamics to the powerful canonical formalism, in which the time evolution of a dynamical system is described by Hamilton’s equations. We derive the explicit form of the Hamiltonian that governs network growth in PA. This Hamiltonian turns out to be nearly identical to graph energy in the configuration model, which shows that the ensemble of random graphs generated by PA is nearly identical to the ensemble of random graphs with scale-free degree distributions. In other words, PA generates nothing but random graphs with power-law degree distribution. The extension of the developed canonical formalism for network analysis to richer geometric network models with non-degenerate groups of symmetries may eventually lead to a system of equations describing network dynamics at small scales. (paper)

  6. Effects of surfactants on spinning carbon nanotube fibers by an electrophoretic method

    Directory of Open Access Journals (Sweden)

    Jun Ma, Jie Tang, Qian Cheng, Han Zhang, Norio Shinya and Lu-Chang Qin

    2010-01-01

    Full Text Available Thin fibers were spun from a colloidal solution of single-walled carbon nanotubes (SWNTs using an electrophoretic method. Sodium dodecylbenzenesulfonate (NaDDBS was chosen as a surfactant and showed good performance owing to its special chemical structure. The highest spinning velocity reached 0.5 mm s−1. The resulting SWNT fibers had a tensile strength of 400 MPa and a conductivity of 355 S cm−1. Their mechanical and electrical properties were markedly improved after adding NaDDBS as the dispersant in water.

  7. Resistivity behavior of optimized PbTiO3 thin films prepared by spin coating method

    Science.gov (United States)

    Nurbaya, Z.; Wahid, M. H.; Rozana, M. D.; Alrokayan, S. A. H.; Khan, H. A.; Rusop, M.

    2018-05-01

    Th is study presents the resistivity behavior of PbTiO3 thin films which were prepared towards metal-insulator-metal capacitor device fabrication. The PbTiO3 thin films were prepared through sol-gel spin coating method that involved various deposition parameters that is (1) different molar concentration of PbTiO3 solutions, (2) various additional PbAc-content in PbTiO3 solutions, and (3) various annealing temperature on PbTiO3 thin films. Hence, an electrical measurement of current versus voltage was done to determine the resistivity behavior of PbTiO3 thin films.

  8. Synthesis and characterization of uniform silica nanoparticles on nickel substrate by spin coating and sol-gel method

    Science.gov (United States)

    Ngoc Thi Le, Hien; Jeong, Hae Kyung

    2014-01-01

    Spin coating and sol-gel methods are proposed for the preparation of silica nanoparticles on a nickel substrate using silicon tetrachloride, 2-methoxyethanol, and four different types of alkaline solutions. The effects of the type of alkaline solution, concentration of silica solution, and speed of spin coating on the properties of silica nanoparticles are investigated systematically. Uniform spherical shape of silica nanoparticles on Ni with the smallest size are obtained with sodium carbonate among the alkaline solutions after stirring at 70 °C for 6 h and spin-coating at 7000 rpm. Physical and electrochemical properties of the silica particles are investigated.

  9. 15th International Conference on Non-Hermitian Hamiltonians in Quantum Physics

    CERN Document Server

    Passante, Roberto; Trapani, Camillo

    2016-01-01

    This book presents the Proceedings of the 15th International Conference on Non-Hermitian Hamiltonians in Quantum Physics, held in Palermo, Italy, from 18 to 23 May 2015. Non-Hermitian operators, and non-Hermitian Hamiltonians in particular, have recently received considerable attention from both the mathematics and physics communities. There has been a growing interest in non-Hermitian Hamiltonians in quantum physics since the discovery that PT-symmetric Hamiltonians can have a real spectrum and thus a physical relevance. The main subjects considered in this book include: PT-symmetry in quantum physics, PT-optics, Spectral singularities and spectral techniques, Indefinite-metric theories, Open quantum systems, Krein space methods, and Biorthogonal systems and applications. The book also provides a summary of recent advances in pseudo-Hermitian Hamiltonians and PT-symmetric Hamiltonians, as well as their applications in quantum physics and in the theory of open quantum systems.

  10. Art of spin decomposition

    International Nuclear Information System (INIS)

    Chen Xiangsong; Sun Weimin; Wang Fan; Goldman, T.

    2011-01-01

    We analyze the problem of spin decomposition for an interacting system from a natural perspective of constructing angular-momentum eigenstates. We split, from the total angular-momentum operator, a proper part which can be separately conserved for a stationary state. This part commutes with the total Hamiltonian and thus specifies the quantum angular momentum. We first show how this can be done in a gauge-dependent way, by seeking a specific gauge in which part of the total angular-momentum operator vanishes identically. We then construct a gauge-invariant operator with the desired property. Our analysis clarifies what is the most pertinent choice among the various proposals for decomposing the nucleon spin. A similar analysis is performed for extracting a proper part from the total Hamiltonian to construct energy eigenstates.

  11. Global symplectic structure-preserving integrators for spinning compact binaries

    Science.gov (United States)

    Zhong, Shuang-Ying; Wu, Xin; Liu, San-Qiu; Deng, Xin-Fa

    2010-12-01

    This paper deals mainly with the application of the second-order symplectic implicit midpoint rule and its symmetric compositions to a post-Newtonian Hamiltonian formulation with canonical spin variables in relativistic compact binaries. The midpoint rule, as a basic algorithm, is directly used to integrate the completely canonical Hamiltonian system. On the other hand, there are symmetric composite methods based on a splitting of the Hamiltonian into two parts: the Newtonian part associated with a Kepler motion, and a perturbation part involving the orbital post-Newtonian and spin contributions, where the Kepler flow has an analytic solution and the perturbation can be calculated by the midpoint rule. An example is the second-order mixed leapfrog symplectic integrator with one stage integration of the perturbation flow and two semistage computations of the Kepler flow at every integration step. Also, higher-order composite methods such as the Forest-Ruth fourth-order symplectic integrator and its optimized algorithm are applicable. Various numerical tests including simulations of chaotic orbits show that the mixed leapfrog integrator is always superior to the midpoint rule in energy accuracy, while both of them are almost equivalent in computational efficiency. Particularly, the optimized fourth-order algorithm compared with the mixed leapfrog scheme provides good precision and needs no expensive additional computational time. As a result, it is worth performing a more detailed and careful examination of the dynamical structure of chaos and order in the parameter windows and phase space of the binary system.

  12. Advanced fabrication method for the preparation of MOF thin films: Liquid-phase epitaxy approach meets spin coating method.

    KAUST Repository

    Chernikova, Valeriya

    2016-07-14

    Here we report a new and advanced method for the fabrication of highly oriented/polycrystalline metal-organic framework (MOF) thin films. Building on the attractive features of the liquid-phase epitaxy (LPE) approach, a facile spin coating method was implemented to generate MOF thin films in a high-throughput fashion. Advantageously, this approach offers a great prospective to cost-effectively construct thin-films with a significantly shortened preparation time and a lessened chemicals and solvents consumption, as compared to the conventional LPE-process. Certainly, this new spin-coating approach has been implemented successfully to construct various MOF thin films, ranging in thickness from a few micrometers down to the nanometer scale, spanning 2-D and 3-D benchmark MOF materials including Cu2(bdc)2•xH2O, Zn2(bdc)2•xH2O, HKUST-1 and ZIF-8. This method was appraised and proved effective on a variety of substrates comprising functionalized gold, silicon, glass, porous stainless steel and aluminum oxide. The facile, high-throughput and cost-effective nature of this approach, coupled with the successful thin film growth and substrate versatility, represents the next generation of methods for MOF thin film fabrication. Thereby paving the way for these unique MOF materials to address a wide range of challenges in the areas of sensing devices and membrane technology.

  13. Novel method for the production of spin-aligned RI beams in projectile fragmentation reaction with the dispersion matching technique

    Energy Technology Data Exchange (ETDEWEB)

    Ichikawa, Y., E-mail: yuichikawa@phys.titech.ac.jp [Tokyo Institute of Technology, Department of Physics (Japan); Ueno, H. [RIKEN Nishina Center (Japan); Ishii, Y. [Tokyo Institute of Technology, Department of Physics (Japan); Furukawa, T. [Tokyo Metropolitan University, Department of Physics (Japan); Yoshimi, A. [Okayama University, Research Core for Extreme Quantum World (Japan); Kameda, D.; Watanabe, H.; Aoi, N. [RIKEN Nishina Center (Japan); Asahi, K. [Tokyo Institute of Technology, Department of Physics (Japan); Balabanski, D. L. [Bulgarian Academy of Sciences, Institute for Nuclear Research and Nuclear Energy (Bulgaria); Chevrier, R.; Daugas, J. M. [CEA, DAM, DIF (France); Fukuda, N. [RIKEN Nishina Center (Japan); Georgiev, G. [CSNSM, IN2P3-CNRS, Universite Paris-sud (France); Hayashi, H.; Iijima, H. [Tokyo Institute of Technology, Department of Physics (Japan); Inabe, N. [RIKEN Nishina Center (Japan); Inoue, T. [Tokyo Institute of Technology, Department of Physics (Japan); Ishihara, M.; Kubo, T. [RIKEN Nishina Center (Japan); and others

    2013-05-15

    A novel method to produce spin-aligned rare-isotope (RI) beam has been developed, that is the two-step projectile fragmentation method with a technique of dispersion matching. The present method was verified in an experiment at the RIKEN RIBF, where an RI beam of {sup 32}Al with spin alignment of 8(1) % was successfully produced from a primary beam of {sup 48}Ca, with {sup 33}Al as an intermediate nucleus. Figure of merit of the present method was found to be improved by a factor larger than 50 compared with a conventional method employing single-step projectile fragmentation.

  14. Relativistic U(3) symmetry and pseudo-U(3) symmetry of the Dirac Hamiltonian

    International Nuclear Information System (INIS)

    Ginocchio, Joseph N.

    2010-01-01

    The Dirac Hamiltonian with relativistic scalar and vector harmonic oscillator potentials has been solved analytically in two limits. One is the spin limit for which spin is an invariant symmetry of the the Dirac Hamiltonian and the other is the pseudo-spin limit for which pseudo-spin is an invariant symmetry of the Dirac Hamiltonian. The spin limit occurs when the scalar potential is equal to the vector potential plus a constant, and the pseudospin limit occurs when the scalar potential is equal in magnitude but opposite in sign to the vector potential plus a constant. Like the non-relativistic harmonic oscillator, each of these limits has a higher symmetry. For example, for the spherically symmetric oscillator, these limits have a U(3) and pseudo-U(3) symmetry respectively. We shall discuss the eigenfunctions and eigenvalues of these two limits and derive the relativistic generators for the U(3) and pseudo-U(3) symmetry. We also argue, that, if an anti-nucleon can be bound in a nucleus, the spectrum will have approximate spin and U(3) symmetry.

  15. Hamiltonian Dynamics and Positive Energy in General Relativity

    Energy Technology Data Exchange (ETDEWEB)

    Deser, S. [Physics Department, Brandeis University, Waltham, MA (United States)

    1969-07-15

    A review is first given of the Hamiltonian formulation of general relativity; the gravitational field is a self-interacting massless spin-two system within the framework of ordinary Lorentz covariant field theory. The recently solved problem of positive-definiteness of the field energy is then discussed. The latter, a conserved functional of the dynamical variables, is shown to have only one extremum, a local minimum, which is the vacuum state (flat space). This implies positive energy for the field, with the vacuum as ground-state. Similar results hold when minimally coupled matter is present. (author)

  16. su(1,2) Algebraic Structure of XYZ Antiferromagnetic Model in Linear Spin-Wave Frame

    International Nuclear Information System (INIS)

    Jin Shuo; Xie Binghao; Yu Zhaoxian; Hou Jingmin

    2008-01-01

    The XYZ antiferromagnetic model in linear spin-wave frame is shown explicitly to have an su(1,2) algebraic structure: the Hamiltonian can be written as a linear function of the su(1,2) algebra generators. Based on it, the energy eigenvalues are obtained by making use of the similar transformations, and the algebraic diagonalization method is investigated. Some numerical solutions are given, and the results indicate that only one group solution could be accepted in physics

  17. Studies on the clinical application of MR perfusion image using arterial spin labeling method

    International Nuclear Information System (INIS)

    Miyasaka, Kenji

    1999-01-01

    A new technique for imaging brain perfusion, arterial spin labeling method was applied in clinic. Brain perfusion was imaged by FAIR and EPISTAR both of which using arterial spin labeling (ASL) method. Suitable parameters for small contamination were examined using a imaging phantom. Then normal volunteers were examined for imaging timing. Suitable time between labeling pulse and imaging pulse for brain capillary and parenchyma was 1.0 sec. For clinical application study, total 48 patients with brain diseases were examined by FAIR and/or EPISTAR. A lesion/white matter signal intensity ratio was calculated in all clinical cases. Average of signal intensity ratio in infarction, tumor and arteriovenous malformation (AVM) were 0.8, 2.2 and 18.6 at FAIR, and 0.6, 2.2 and 12.8 at EPISTAR, respectively. Low perfusion diseases such as cerebral infarction have low signal intensity ratio and high perfusion diseases such as AVM have high signal intensity ratio in both FAIR and EPISTAR. Brain lesions were imaged similarly in FAIR and EPISTAR, and no remarkable difference was found between FAIR and EPISTAR. As a result of diagnostic trial by signal intensity ratio in operated tumor, hemorrhagic cases could be diagnosed by accuracies of 75% in FAIR and 100% in EPISTAR, respectively. (author)

  18. Novel nuclear laser spectroscopy method using superfluid helium for measurement of spins and moments of exotic nuclei

    International Nuclear Information System (INIS)

    Furukawa, Takeshi; Wakui, Takashi; Yang, Xiaofei; Fujita, Tomomi; Imamura, Kei; Yamaguchi, Yasuhiro; Tetsuka, Hiroki; Tsutsui, Yoshiki; Mitsuya, Yosuke; Ichikawa, Yuichi; Ishibashi, Yoko; Yoshida, Naoki; Shirai, Hazuki; Ebara, Yuta; Hayasaka, Miki; Arai, Shino; Muramoto, Sosuke

    2013-01-01

    Highlights: • Development of a novel nuclear laser spectroscopy method using superfluid helium. • Observation of the Zeeman resonance with the 85 Rb beam introduced into helium. • Demonstration of deducing the nuclear spins from the observed resonance spectrum. -- Abstract: We have been developing a novel nuclear laser spectroscopy method “OROCHI” for determining spins and moments of exotic radioisotopes. In this method, we use superfluid helium as a stopping material of energetic radioisotope beams and then stopped radioisotope atoms are subjected to in situ laser spectroscopy in superfluid helium. To confirm the feasibility of this method for rare radioisotopes, we carried out a test experiment using a 85 Rb beam. In this experiment, we have successfully measured the Zeeman resonance signals from the 85 Rb atoms stopped in superfluid helium by laser-RF double resonance spectroscopy. This method is efficient for the measurement of spins and moments of more exotic nuclei

  19. Quasi-spin method in the case of j-j coupling in a shell of equivalent atomic electrons

    International Nuclear Information System (INIS)

    Savichyus, E.G.; Kanyauskas, Yu.M.; Rudzikas, Z.B.

    1979-01-01

    Mathematical apparatus of the theory of multielectronic atoms and ions in the case of j-j coupling in a shell of equivalent electrons is built. Quasi-spin method is used. The scheme of the investigation is the following: 1. Tensorial properties of the operators in quasi-spin space are considered. 2. Matrix elements of these operators are built and with the help of Wigner-Eckart theorem the dependence of the matrix elements upon the projection, including the quasi-spin projection, of the quantity of electrons in jj-subshell, is determined. 3. Subgenealogical coefficients (genealogical coefficients presented in quasi-spin space) are determined and some of their properties are investigated. The tables of subgenealogical coefficients for j=5/2, 7/2 are presented

  20. Normal form for mirror machine Hamiltonians

    International Nuclear Information System (INIS)

    Dragt, A.J.; Finn, J.M.

    1979-01-01

    A systematic algorithm is developed for performing canonical transformations on Hamiltonians which govern particle motion in magnetic mirror machines. These transformations are performed in such a way that the new Hamiltonian has a particularly simple normal form. From this form it is possible to compute analytic expressions for gyro and bounce frequencies. In addition, it is possible to obtain arbitrarily high order terms in the adiabatic magnetic moment expansion. The algorithm makes use of Lie series, is an extension of Birkhoff's normal form method, and has been explicitly implemented by a digital computer programmed to perform the required algebraic manipulations. Application is made to particle motion in a magnetic dipole field and to a simple mirror system. Bounce frequencies and locations of periodic orbits are obtained and compared with numerical computations. Both mirror systems are shown to be insoluble, i.e., trajectories are not confined to analytic hypersurfaces, there is no analytic third integral of motion, and the adiabatic magnetic moment expansion is divergent. It is expected also that the normal form procedure will prove useful in the study of island structure and separatrices associated with periodic orbits, and should facilitate studies of breakdown of adiabaticity and the onset of ''stochastic'' behavior

  1. Effective Hamiltonians for phosphorene and silicene

    International Nuclear Information System (INIS)

    Lew Yan Voon, L C; Lopez-Bezanilla, A; Wang, J; Zhang, Y; Willatzen, M

    2015-01-01

    We derived the effective Hamiltonians for silicene and phosphorene with strain, electric field and magnetic field using the method of invariants. Our paper extends the work of Geissler et al 2013 (New J. Phys. 15 085030) on silicene, and Li and Appelbaum 2014 (Phys. Rev. B 90, 115439) on phosphorene. Our Hamiltonians are compared to an equivalent one for graphene. For silicene, the expression for band warping is obtained analytically and found to be of different order than for graphene. We prove that a uniaxial strain does not open a gap, resolving contradictory numerical results in the literature. For phosphorene, it is shown that the bands near the Brillouin zone center only have terms in even powers of the wave vector. We predict that the energies change quadratically in the presence of a perpendicular external electric field but linearly in a perpendicular magnetic field, as opposed to those for silicene which vary linearly in both cases. Preliminary ab initio calculations for the intrinsic band structures have been carried out in order to evaluate some of the k⋅p parameters. (paper)

  2. Hamiltonian Chaos and Fractional Dynamics

    International Nuclear Information System (INIS)

    Combescure, M

    2005-01-01

    This book provides an introduction and discussion of the main issues in the current understanding of classical Hamiltonian chaos, and of its fractional space-time structure. It also develops the most complex and open problems in this context, and provides a set of possible applications of these notions to some fundamental questions of dynamics: complexity and entropy of systems, foundation of classical statistical physics on the basis of chaos theory, and so on. Starting with an introduction of the basic principles of the Hamiltonian theory of chaos, the book covers many topics that can be found elsewhere in the literature, but which are collected here for the readers' convenience. In the last three parts, the author develops topics which are not typically included in the standard textbooks; among them are: - the failure of the traditional description of chaotic dynamics in terms of diffusion equations; - he fractional kinematics, its foundation and renormalization group analysis; - 'pseudo-chaos', i.e. kinetics of systems with weak mixing and zero Lyapunov exponents; - directional complexity and entropy. The purpose of this book is to provide researchers and students in physics, mathematics and engineering with an overview of many aspects of chaos and fractality in Hamiltonian dynamical systems. In my opinion it achieves this aim, at least provided researchers and students (mainly those involved in mathematical physics) can complement this reading with comprehensive material from more specialized sources which are provided as references and 'further reading'. Each section contains introductory pedagogical material, often illustrated by figures coming from several numerical simulations which give the feeling of what's going on, and thus is very useful to the reader who is not very familiar with the topics presented. Some problems are included at the end of most sections to help the reader to go deeper into the subject. My one regret is that the book does not

  3. An approach for obtaining integrable Hamiltonians from Poisson-commuting polynomial families

    Science.gov (United States)

    Leyvraz, F.

    2017-07-01

    We discuss a general approach permitting the identification of a broad class of sets of Poisson-commuting Hamiltonians, which are integrable in the sense of Liouville. It is shown that all such Hamiltonians can be solved explicitly by a separation of variables ansatz. The method leads in particular to a proof that the so-called "goldfish" Hamiltonian is maximally superintegrable and leads to an elementary identification of a full set of integrals of motion. The Hamiltonians in involution with the "goldfish" Hamiltonian are also explicitly integrated. New integrable Hamiltonians are identified, among which some have the property of being isochronous, that is, all their orbits have the same period. Finally, a peculiar structure is identified in the Poisson brackets between the elementary symmetric functions and the set of Hamiltonians commuting with the "goldfish" Hamiltonian: these can be expressed as products between elementary symmetric functions and Hamiltonians. The structure displays an invariance property with respect to one element and has both a symmetry and a closure property. The meaning of this structure is not altogether clear to the author, but it turns out to be a powerful tool.

  4. Spin dynamics modeling in the AGS based on a stepwise ray-tracing method

    Energy Technology Data Exchange (ETDEWEB)

    Dutheil, Yann [Univ. of Grenoble (France)

    2006-08-07

    The AGS provides a polarized proton beam to RHIC. The beam is accelerated in the AGS from Gγ= 4.5 to Gγ = 45.5 and the polarization transmission is critical to the RHIC spin program. In the recent years, various systems were implemented to improve the AGS polarization transmission. These upgrades include the double partial snakes configuration and the tune jumps system. However, 100% polarization transmission through the AGS acceleration cycle is not yet reached. The current efficiency of the polarization transmission is estimated to be around 85% in typical running conditions. Understanding the sources of depolarization in the AGS is critical to improve the AGS polarized proton performances. The complexity of beam and spin dynamics, which is in part due to the specialized Siberian snake magnets, drove a strong interest for original methods of simulations. For that, the Zgoubi code, capable of direct particle and spin tracking through field maps, was here used to model the AGS. A model of the AGS using the Zgoubi code was developed and interfaced with the current system through a simple command: the AgsFromSnapRampCmd. Interfacing with the machine control system allows for fast modelization using actual machine parameters. Those developments allowed the model to realistically reproduce the optics of the AGS along the acceleration ramp. Additional developments on the Zgoubi code, as well as on post-processing and pre-processing tools, granted long term multiturn beam tracking capabilities: the tracking of realistic beams along the complete AGS acceleration cycle. Beam multiturn tracking simulations in the AGS, using realistic beam and machine parameters, provided a unique insight into the mechanisms behind the evolution of the beam emittance and polarization during the acceleration cycle. Post-processing softwares were developed to allow the representation of the relevant quantities from the Zgoubi simulations data. The Zgoubi simulations proved particularly

  5. Perturbation theory of effective Hamiltonians

    International Nuclear Information System (INIS)

    Brandow, B.H.

    1975-01-01

    This paper constitutes a review of the many papers which have used perturbation theory to derive ''effective'' or ''model'' Hamiltonians. It begins with a brief review of nondegenerate and non-many-body perturbation theory, and then considers the degenerate but non-many-body problem in some detail. It turns out that the degenerate perturbation problem is not uniquely defined, but there are some practical criteria for choosing among the various possibilities. Finally, the literature dealing with the linked-cluster aspects of open-shell many-body systems is reviewed. (U.S.)

  6. Hamiltonian approach to second order gauge invariant cosmological perturbations

    Science.gov (United States)

    Domènech, Guillem; Sasaki, Misao

    2018-01-01

    In view of growing interest in tensor modes and their possible detection, we clarify the definition of tensor modes up to 2nd order in perturbation theory within the Hamiltonian formalism. Like in gauge theory, in cosmology the Hamiltonian is a suitable and consistent approach to reduce the gauge degrees of freedom. In this paper we employ the Faddeev-Jackiw method of Hamiltonian reduction. An appropriate set of gauge invariant variables that describe the dynamical degrees of freedom may be obtained by suitable canonical transformations in the phase space. We derive a set of gauge invariant variables up to 2nd order in perturbation expansion and for the first time we reduce the 3rd order action without adding gauge fixing terms. In particular, we are able to show the relation between the uniform-ϕ and Newtonian slicings, and study the difference in the definition of tensor modes in these two slicings.

  7. Riemannian geometry of Hamiltonian chaos: hints for a general theory.

    Science.gov (United States)

    Cerruti-Sola, Monica; Ciraolo, Guido; Franzosi, Roberto; Pettini, Marco

    2008-10-01

    We aim at assessing the validity limits of some simplifying hypotheses that, within a Riemmannian geometric framework, have provided an explanation of the origin of Hamiltonian chaos and have made it possible to develop a method of analytically computing the largest Lyapunov exponent of Hamiltonian systems with many degrees of freedom. Therefore, a numerical hypotheses testing has been performed for the Fermi-Pasta-Ulam beta model and for a chain of coupled rotators. These models, for which analytic computations of the largest Lyapunov exponents have been carried out in the mentioned Riemannian geometric framework, appear as paradigmatic examples to unveil the reason why the main hypothesis of quasi-isotropy of the mechanical manifolds sometimes breaks down. The breakdown is expected whenever the topology of the mechanical manifolds is nontrivial. This is an important step forward in view of developing a geometric theory of Hamiltonian chaos of general validity.

  8. Spin dependence of rotational damping by the rotational plane mapping method

    Energy Technology Data Exchange (ETDEWEB)

    Leoni, S; Bracco, A; Million, B [Milan Univ. (Italy). Ist. di Fisica; Herskind, B; Dossing, T; Rasmussen, P [Niels Bohr Inst., Copenhagen (Denmark); Bergstrom, M; Brockstedt, A; Carlsson, H; Ekstrom, P; Nordlund, A; Ryde, H [Lund Univ. (Sweden). Dept. of Physics; Ingebretsen, F; Tjom, P O [Oslo Univ. (Norway); Lonnroth, T [Aabo Akademi, Turku (Finland). Dept. of Physics

    1992-08-01

    In the study of deformed nuclei by gamma spectroscopy, the large quadrupole transition strength known from rotational bands at high excitation energy may be distributed over all final states of a given parity within an interval defined as the rotational damping width {Gamma}{sub rot} The method of rotational plane mapping extracts a value of {Gamma}{sub rot} from the width of valleys in certain planes in the grid plots of triple gamma coincidence data sets. The method was applied to a high spin triple data set on {sup 162,163}Tm taken with NORDBALL at the tandem accelerator of the Niels Bohr Institute, and formed in the reaction {sup 37}Cl + {sup 130}Te. The value {Gamma}{sub rot} = 85 keV was obtained. Generally, experimental values seem to be lower than theoretical predictions, although the only calculation made was for {sup 168}Yb. 6 refs., 3 figs.

  9. Detection of irradiated fruits and vegetables by gas-chromatographic methods and electron spin-resonance

    Energy Technology Data Exchange (ETDEWEB)

    Farag, S.E.A. (National Centre for Radiation Research and Technology, Cairo (Egypt))

    1993-01-01

    Gas chromatographic methods detected some hydrocarbons esp. 17:1, 16:2, 15:0 and 14:1 in irradiated, Avocado, Papaya, Mangoes with 0.75, 1.5, 3.0 kGy and Apricot with 0.5 and 3.0 kGy. The detection of hydrocarbons was clearly at high doses but the low doses need more sensitive conditions using Liquid-Liquid-Gas chromatographic method as used here. Using Electron Spin-Resonance, produce a specific signal from irradiated onion (dried leaves) as well as apricot (hard coat of kernels) after some weeks of irradiation process but not clear with the other foodstuffs. (orig.)

  10. Synthesis and characterization of nanocomposite polymer blend electrolyte thin films by spin-coating method

    Energy Technology Data Exchange (ETDEWEB)

    Chapi, Sharanappa; Niranjana, M.; Devendrappa, H., E-mail: dehu2010@gmail.com [Department of Physics, Mangalore University, Mangalagangothri - 574 199 (India)

    2016-05-23

    Solid Polymer blend electrolytes based on Polyethylene oxide (PEO) and poly vinyl pyrrolidone (PVP) complexed with zinc oxide nanoparticles (ZnO NPs; Synthesized by Co-precipitation method) thin films have prepared at a different weight percent using the spin-coating method. The complexation of the NPs with the polymer blend was confirmed by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR). The variation in film morphology was examined by polarized optical micrographs (POMs). The thermal behavior of blends was investigated under non-isothermal conditions by differential thermal analyses (DTA). A single glass transition temperature for each blend was observed, which supports the existence of compatibility of such system. The obtained results represent that the ternary based thin films are prominent materials for battery and optoelectronic device applications.

  11. Computational and instrumental methods in EPR

    CERN Document Server

    Bender, Christopher J

    2006-01-01

    Computational and Instrumental Methods in EPR Prof. Bender, Fordham University Prof. Lawrence J. Berliner, University of Denver Electron magnetic resonance has been greatly facilitated by the introduction of advances in instrumentation and better computational tools, such as the increasingly widespread use of the density matrix formalism. This volume is devoted to both instrumentation and computation aspects of EPR, while addressing applications such as spin relaxation time measurements, the measurement of hyperfine interaction parameters, and the recovery of Mn(II) spin Hamiltonian parameters via spectral simulation. Key features: Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T1) and Spin-Spin (T2) Relaxation Times Improvement in the Measurement of Spin-Lattice Relaxation Time in Electron Paramagnetic Resonance Quantitative Measurement of Magnetic Hyperfine Parameters and the Physical Organic Chemistry of Supramolecular Systems New Methods of Simulation of Mn(II) EPR Spectra: Single Cryst...

  12. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

    2015-07-28

    Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

  13. Floquet-Green function formalism for harmonically driven Hamiltonians

    International Nuclear Information System (INIS)

    Martinez, D F

    2003-01-01

    A method is proposed for the calculation of the Floquet-Green function of a general Hamiltonian with harmonic time dependence. We use matrix continued fractions to derive an expression for the 'dynamical effective potential' that can be used to calculate the Floquet-Green function of the system. We demonstrate the formalism for the simple case of a space-periodic (in the tight-binding approximation) Hamiltonian with a defect whose on-site energy changes harmonically with time. We study the local density of states for this system and the behaviour of the localized states as a function of the different parameters that characterize the system

  14. Perspective: Quantum Hamiltonians for optical interactions

    Science.gov (United States)

    Andrews, David L.; Jones, Garth A.; Salam, A.; Woolley, R. Guy

    2018-01-01

    The multipolar Hamiltonian of quantum electrodynamics is extensively employed in chemical and optical physics to treat rigorously the interaction of electromagnetic fields with matter. It is also widely used to evaluate intermolecular interactions. The multipolar version of the Hamiltonian is commonly obtained by carrying out a unitary transformation of the Coulomb gauge Hamiltonian that goes by the name of Power-Zienau-Woolley (PZW). Not only does the formulation provide excellent agreement with experiment, and versatility in its predictive ability, but also superior physical insight. Recently, the foundations and validity of the PZW Hamiltonian have been questioned, raising a concern over issues of gauge transformation and invariance, and whether observable quantities obtained from unitarily equivalent Hamiltonians are identical. Here, an in-depth analysis of theoretical foundations clarifies the issues and enables misconceptions to be identified. Claims of non-physicality are refuted: the PZW transformation and ensuing Hamiltonian are shown to rest on solid physical principles and secure theoretical ground.

  15. Method Development for Extraction of Butyrylcholin- esterase using Protein-G Agarose Spin Columns

    Directory of Open Access Journals (Sweden)

    Amruta S. Indapurkar

    2015-01-01

    Full Text Available Butyrylcholinesterase (BuChE is a biomarker of organophosphate (OP poisoning and can be used as a diagnostic marker to measure exposure to OP compounds. The purpose of this study was to develop a method to extract BuChE from human plasma. BuChE was extracted from plasma using the NAb protein-G Agarose Spin Kit. Factors affecting extraction like incubation time, plasma volume and cross-linking of antibodies to agarose beads were evaluated. All samples were analyzed for BuChE activity using the Ellman’s assay. The incubation times of plasma and anti-BuChE antibodies marginally affected the extraction efficiency of BuChE whereas a decrease in plasma volume increased the extraction efficiency. Cross-linking of anti-BuChE antibodies on agarose increased the extraction efficiency. The NAb protein-G Spin Kit can be used successfully to extract BuChE from human plasma. This extraction technique may be coupled to downstream analytical analyses for diagnosing exposure to OP compounds.

  16. Analytic approximations to hamiltonian lattice field theories. Pt. 2

    International Nuclear Information System (INIS)

    Surany, P.

    1983-01-01

    It is shown that at weak coupling physical quantities in hamiltonian U(1) lattice gauge (or global symmetric) theories of arbitrary dimension are provided as expectation values in a d - 1 dimensional lagrangian Z(2) gauge (or spin) theory with calculable long-range interactions. Confinement and the existence of a magnetic mass gap are equivalent to the existence of infinite-range plaquette-plaquette (or link-link) correlations in the spin field. The existence of infinite range correlations is simply related to the dimension of the lattice and the transformation property of the order parameter. As expected, only the d = 2 + 1 U(1) gauge theory confines electric charges at all non-vanishing coupling. (orig.)

  17. Passivation controller design for turbo-generators based on generalised Hamiltonian system theory

    NARCIS (Netherlands)

    Cao, M.; Shen, T.L.; Song, Y.H.

    2002-01-01

    A method of pre-feedback to formulate the generalised forced Hamiltonian system model for speed governor control systems is proposed. Furthermore, passivation controllers are designed based on the scheme of Hamiltonian structure for single machne infinite bus and multimachine power systems. In

  18. Lagrangian and Hamiltonian Formulation of Transmission Line Systems with Boundary Energy Flow

    NARCIS (Netherlands)

    Jeltsema, Dimitri; Schaft, Arjan J. van der

    The classical Lagrangian and Hamiltonian formulation of an electrical transmission line is reviewed and extended to allow for varying boundary conditions, The method is based on the definition of an infinite-dimensional analogue of the affine Lagrangian and Hamiltonian input-output systems

  19. Generalized oscillator representations for Calogero Hamiltonians

    International Nuclear Information System (INIS)

    Tyutin, I V; Voronov, B L

    2013-01-01

    This paper is a natural continuation of the previous paper (Gitman et al 2011 J. Phys. A: Math. Theor. 44 425204), where oscillator representations for nonnegative Calogero Hamiltonians with coupling constant α ⩾ − 1/4 were constructed. In this paper, we present generalized oscillator representations for all Calogero Hamiltonians with α ⩾ − 1/4. These representations are generally highly nonunique, but there exists an optimum representation for each Hamiltonian. (comment)

  20. Hamiltonian formulation of reduced magnetohydrodynamics

    International Nuclear Information System (INIS)

    Morrison, P.J.; Hazeltine, R.D.

    1983-07-01

    Reduced magnetohydrodynamics (RMHD) has become a principal tool for understanding nonlinear processes, including disruptions, in tokamak plasmas. Although analytical studies of RMHD turbulence have been useful, the model's impressive ability to simulate tokamak fluid behavior has been revealed primarily by numerical solution. The present work describes a new analytical approach, not restricted to turbulent regimes, based on Hamiltonian field theory. It is shown that the nonlinear (ideal) RMHD system, in both its high-beta and low-beta versions, can be expressed in Hanmiltonian form. Thus a Poisson bracket, [ , ], is constructed such that each RMHD field quantitity, xi/sub i/, evolves according to xi/sub i/ = [xi/sub i/,H], where H is the total field energy. The new formulation makes RMHD accessible to the methodology of Hamiltonian mechanics; it has lead, in particular, to the recognition of new RMHD invariants and even exact, nonlinear RMHD solutions. A canonical version of the Poisson bracket, which requires the introduction of additional fields, leads to a nonlinear variational principle for time-dependent RMHD

  1. General technique to produce isochronous Hamiltonians

    International Nuclear Information System (INIS)

    Calogero, F; Leyvraz, F

    2007-01-01

    We introduce a new technique-characterized by an arbitrary positive constant Ω, with which we associate the period T = 2π/Ω-to 'Ω-modify' a Hamiltonian so that the new Hamiltonian thereby obtained is entirely isochronous, namely it yields motions all of which (except possibly for a lower dimensional set of singular motions) are periodic with the same fixed period T in all their degrees of freedom. This technique transforms real autonomous Hamiltonians into Ω-modified Hamiltonians which are also real and autonomous, and it is widely applicable, for instance, to the most general many-body problem characterized by Newtonian equations of motion ('acceleration equal force') provided it is translation invariant. The Ω-modified Hamiltonians are of course not translation invariant, but for Ω = 0 they reduce (up to marginal changes) to the unmodified Hamiltonians they were obtained from. Hence, when this technique is applied to translation-invariant Hamiltonians yielding, in their center-of-mass systems, chaotic motions with a natural time scale much smaller than T, the corresponding Ω-modified Hamiltonians shall display a chaotic behavior for quite some time before the isochronous character of the motions takes over. We moreover show that the quantized versions of these Ω-modified Hamiltonians feature equispaced spectra

  2. Canonical transformations and hamiltonian path integrals

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1982-01-01

    Behaviour of the Hamiltonian path integrals under canonical transformations produced by a generator, is investigated. An exact form is determined for the kernel of the unitary operator realizing the corresponding quantum transformation. Equivalence rules are found (the Hamiltonian formalism, one-dimensional case) enabling one to exclude non-standard terms from the action. It is shown that the Hamiltonian path integral changes its form under cononical transformations: in the transformed expression besides the classical Hamiltonian function there appear some non-classical terms

  3. A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method

    Energy Technology Data Exchange (ETDEWEB)

    Liu Xuan, E-mail: liu.x.ad@m.titech.ac.jp; Ito, Haruhiko [Interdisciplinary Graduate School of Science and Engineering, Tokyo Institute of Technology (Japan); Torikai, Eiko [Interdisciplinary Graduate School of Medicine and Engineering, University of Yamanashi (Japan)

    2012-08-15

    We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li{sub n}, Na{sub n}, K{sub n}, Rb{sub n}, and Cs{sub n} with n = 2-8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.

  4. Nuclear properties with realistic Hamiltonians through spectral distribution theory

    International Nuclear Information System (INIS)

    Vary, J.P.; Belehrad, R.; Dalton, B.J.

    1979-01-01

    Motivated by the need of non-perturbative methods for utilizing realistic nuclear Hamiltonians H, the authors use spectral distribution theory, based on calculated moments of H, to obtain specific bulk and valence properties of finite nuclei. The primary emphasis here is to present results for the binding energies of nuclei obtained with and without an assumed core. (Auth.)

  5. Existence and multiplicity results for homoclinic orbits of Hamiltonian systems

    Directory of Open Access Journals (Sweden)

    Chao-Nien Chen

    1997-03-01

    Full Text Available Homoclinic orbits play an important role in the study of qualitative behavior of dynamical systems. Such kinds of orbits have been studied since the time of Poincare. In this paper, we discuss how to use variational methods to study the existence of homoclinic orbits of Hamiltonian systems.

  6. Hamiltonian Noether theorem for gauge systems and two time physics

    International Nuclear Information System (INIS)

    Villanueva, V M; Nieto, J A; Ruiz, L; Silvas, J

    2005-01-01

    The Noether theorem for Hamiltonian constrained systems is revisited. In particular, our review presents a novel method to show that the gauge transformations are generated by the conserved quantities associated with the first class constraints. We apply our results to the relativistic point particle, to the Friedberg et al model and, with special emphasis, to two time physics

  7. Propagator of a time-dependent unbound quadratic Hamiltonian system

    International Nuclear Information System (INIS)

    Yeon, K.H.; Kim, H.J.; Um, C.I.; George, T.F.; Pandey, L.N.

    1996-01-01

    The propagator for a time-dependent unbound quadratic Hamiltonian system is explicitly evaluated using the path integral method. Two time-invariant quantities of the system are found where these invariants determine whether or not the system is bound. Several examples are considered to illustrate that the propagator obtained for the unbound systems is correct

  8. The Lagrangians and Hamiltonians of damped coupled vibrations

    International Nuclear Information System (INIS)

    Ding Guangtao; Gan Huilan; Zheng Xianfeng; Cui Zhifeng

    2012-01-01

    In this paper, the analytical mechanization of two kinds of damped coupled vibrations is studied. First, by use of coordinate transformations the equations of motion are transformed into the self-ad- joint form. Secondly, the Lagrangians are obtained according to Engels method. Finally the Lagrangians and Hamiltonians of the original equations are deduced by using the inverse transformation. (authors)

  9. New bi-Hamiltonian systems on the plane

    Science.gov (United States)

    Tsiganov, A. V.

    2017-06-01

    We discuss several new bi-Hamiltonian integrable systems on the plane with integrals of motion of third, fourth, and sixth orders in momenta. The corresponding variables of separation, separated relations, compatible Poisson brackets, and recursion operators are also presented in the framework of the Jacobi method.

  10. EPR spectroscopy of a family of Cr(III) 7M(II) (M = Cd, Zn, Mn, Ni) "wheels": studies of isostructural compounds with different spin ground states

    DEFF Research Database (Denmark)

    Piligkos, Stergios; Weihe, Høgni; Bill, Eckhard

    2009-01-01

    examples of high nuclearity polymetallic systems where detailed information on the spin-Hamiltonian parameters of the ground and excited spin states is observed. We interpret the EPR spectra by use of restricted size effective subspaces obtained by the rigorous solution of spin-Hamiltonians of dimension up...

  11. Identity of the SU(3) model phenomenological hamiltonian and the hamiltonian of nonaxial rotator

    International Nuclear Information System (INIS)

    Filippov, G.F.; Avramenko, V.I.; Sokolov, A.M.

    1984-01-01

    Interpretation of nonspheric atomic nuclei spectra on the basis of phenomenological hamiltonians of SU(3) model showed satisfactory agreement of simulation calculations with experimental data. Meanwhile physical sense of phenomenological hamiltonians was not yet discussed. It is shown that phenomenological hamiltonians of SU(3) model are reduced to hamiltonian of nonaxial rotator but with additional items of the third and fourth powers angular momentum operator of rotator

  12. Modified Newton-Raphson GRAPE methods for optimal control of spin systems

    International Nuclear Information System (INIS)

    Goodwin, D. L.; Kuprov, Ilya

    2016-01-01

    Quadratic convergence throughout the active space is achieved for the gradient ascent pulse engineering (GRAPE) family of quantum optimal control algorithms. We demonstrate in this communication that the Hessian of the GRAPE fidelity functional is unusually cheap, having the same asymptotic complexity scaling as the functional itself. This leads to the possibility of using very efficient numerical optimization techniques. In particular, the Newton-Raphson method with a rational function optimization (RFO) regularized Hessian is shown in this work to require fewer system trajectory evaluations than any other algorithm in the GRAPE family. This communication describes algebraic and numerical implementation aspects (matrix exponential recycling, Hessian regularization, etc.) for the RFO Newton-Raphson version of GRAPE and reports benchmarks for common spin state control problems in magnetic resonance spectroscopy.

  13. Modified Newton-Raphson GRAPE methods for optimal control of spin systems

    Energy Technology Data Exchange (ETDEWEB)

    Goodwin, D. L.; Kuprov, Ilya, E-mail: i.kuprov@soton.ac.uk [School of Chemistry, University of Southampton, Highfield Campus, Southampton SO17 1BJ (United Kingdom)

    2016-05-28

    Quadratic convergence throughout the active space is achieved for the gradient ascent pulse engineering (GRAPE) family of quantum optimal control algorithms. We demonstrate in this communication that the Hessian of the GRAPE fidelity functional is unusually cheap, having the same asymptotic complexity scaling as the functional itself. This leads to the possibility of using very efficient numerical optimization techniques. In particular, the Newton-Raphson method with a rational function optimization (RFO) regularized Hessian is shown in this work to require fewer system trajectory evaluations than any other algorithm in the GRAPE family. This communication describes algebraic and numerical implementation aspects (matrix exponential recycling, Hessian regularization, etc.) for the RFO Newton-Raphson version of GRAPE and reports benchmarks for common spin state control problems in magnetic resonance spectroscopy.

  14. Annealing temperature effect on electrical properties of MEH-PPV thin film via spin coating method

    Science.gov (United States)

    Azhar, N. E. A.; Shariffudin, S. S.; Alrokayan, Salman A. H.; Khan, Haseeb A.; Rusop, M.

    2018-05-01

    Organic semiconductor has been discovered in different application devices such as organic light emitting diodes (OLEDs). Poly [2-methoxy-5(2' -ethylhexyloxy)-1, 4-phenylenevinylene), MEH-PPV widely used in this device because its ability to produce a good optical quality films. The MEH-PPV was prepared on glass substrate by spin coating method. The thin film was investigated at different annealing temperatures. The scanning electron micrographs (SEM) revealed that sample annealed at 50°C showed uniformity and less aggregation on morphology polymer thin film. Optical properties showed the intensities of visible emission increased as temperatures increased. The current-voltage (I-V) measurement revealed that the temperature of 50°C showed high conductive and it is suitable for optoelectronic device.

  15. Hamiltonian closures in fluid models for plasmas

    Science.gov (United States)

    Tassi, Emanuele

    2017-11-01

    This article reviews recent activity on the Hamiltonian formulation of fluid models for plasmas in the non-dissipative limit, with emphasis on the relations between the fluid closures adopted for the different models and the Hamiltonian structures. The review focuses on results obtained during the last decade, but a few classical results are also described, in order to illustrate connections with the most recent developments. With the hope of making the review accessible not only to specialists in the field, an introduction to the mathematical tools applied in the Hamiltonian formalism for continuum models is provided. Subsequently, we review the Hamiltonian formulation of models based on the magnetohydrodynamics description, including those based on the adiabatic and double adiabatic closure. It is shown how Dirac's theory of constrained Hamiltonian systems can be applied to impose the incompressibility closure on a magnetohydrodynamic model and how an extended version of barotropic magnetohydrodynamics, accounting for two-fluid effects, is amenable to a Hamiltonian formulation. Hamiltonian reduced fluid models, valid in the presence of a strong magnetic field, are also reviewed. In particular, reduced magnetohydrodynamics and models assuming cold ions and different closures for the electron fluid are discussed. Hamiltonian models relaxing the cold-ion assumption are then introduced. These include models where finite Larmor radius effects are added by means of the gyromap technique, and gyrofluid models. Numerical simulations of Hamiltonian reduced fluid models investigating the phenomenon of magnetic reconnection are illustrated. The last part of the review concerns recent results based on the derivation of closures preserving a Hamiltonian structure, based on the Hamiltonian structure of parent kinetic models. Identification of such closures for fluid models derived from kinetic systems based on the Vlasov and drift-kinetic equations are presented, and

  16. Direct calculation of the spin stiffness on square, triangular and cubic lattices using the coupled cluster method

    OpenAIRE

    Krüger, S. E.; Darradi, R.; Richter, J.; Farnell, D. J. J

    2006-01-01

    We present a method for the direct calculation of the spin stiffness by means of the coupled cluster method. For the spin-half Heisenberg antiferromagnet on the square, the triangular and the cubic lattices we calculate the stiffness in high orders of approximation. For the square and the cubic lattices our results are in very good agreement with the best results available in the literature. For the triangular lattice our result is more precise than any other result obtained so far by other a...

  17. Electron spin interactions in chemistry and biology fundamentals, methods, reactions mechanisms, magnetic phenomena, structure investigation

    CERN Document Server

    Likhtenshtein, Gertz

    2016-01-01

    This book presents the versatile and pivotal role of electron spin interactions in nature. It provides the background, methodologies and tools for basic areas related to spin interactions, such as spin chemistry and biology, electron transfer, light energy conversion, photochemistry, radical reactions, magneto-chemistry and magneto-biology. The book also includes an overview of designing advanced magnetic materials, optical and spintronic devices and photo catalysts. This monograph appeals to scientists and graduate students working in the areas related to spin interactions physics, biophysics, chemistry and chemical engineering.

  18. Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials.

    Science.gov (United States)

    Manz, Thomas A; Sholl, David S

    2011-12-13

    The partitioning of electron spin density among atoms in a material gives atomic spin moments (ASMs), which are important for understanding magnetic properties. We compare ASMs computed using different population analysis methods and introduce a method for computing density derived electrostatic and chemical (DDEC) ASMs. Bader and DDEC ASMs can be computed for periodic and nonperiodic materials with either collinear or noncollinear magnetism, while natural population analysis (NPA) ASMs can be computed for nonperiodic materials with collinear magnetism. Our results show Bader, DDEC, and (where applicable) NPA methods give similar ASMs, but different net atomic charges. Because they are optimized to reproduce both the magnetic field and the chemical states of atoms in a material, DDEC ASMs are especially suitable for constructing interaction potentials for atomistic simulations. We describe the computation of accurate ASMs for (a) a variety of systems using collinear and noncollinear spin DFT, (b) highly correlated materials (e.g., magnetite) using DFT+U, and (c) various spin states of ozone using coupled cluster expansions. The computed ASMs are in good agreement with available experimental results for a variety of periodic and nonperiodic materials. Examples considered include the antiferromagnetic metal organic framework Cu3(BTC)2, several ozone spin states, mono- and binuclear transition metal complexes, ferri- and ferro-magnetic solids (e.g., Fe3O4, Fe3Si), and simple molecular systems. We briefly discuss the theory of exchange-correlation functionals for studying noncollinear magnetism. A method for finding the ground state of systems with highly noncollinear magnetism is introduced. We use these methods to study the spin-orbit coupling potential energy surface of the single molecule magnet Fe4C40H52N4O12, which has highly noncollinear magnetism, and find that it contains unusual features that give a new interpretation to experimental data.

  19. The detectability lemma and its applications to quantum Hamiltonian complexity

    International Nuclear Information System (INIS)

    Aharonov, Dorit; Arad, Itai; Vazirani, Umesh; Landau, Zeph

    2011-01-01

    Quantum Hamiltonian complexity, an emerging area at the intersection of condensed matter physics and quantum complexity theory, studies the properties of local Hamiltonians and their ground states. In this paper we focus on a seemingly specialized technical tool, the detectability lemma (DL), introduced in the context of the quantum PCP challenge (Aharonov et al 2009 arXiv:0811.3412), which is a major open question in quantum Hamiltonian complexity. We show that a reformulated version of the lemma is a versatile tool that can be used in place of the celebrated Lieb-Robinson (LR) bound to prove several important results in quantum Hamiltonian complexity. The resulting proofs are much simpler, more combinatorial and provide a plausible path toward tackling some fundamental open questions in Hamiltonian complexity. We provide an alternative simpler proof of the DL that removes a key restriction in the original statement (Aharonov et al 2009 arXiv:0811.3412), making it more suitable for the broader context of quantum Hamiltonian complexity. Specifically, we first use the DL to provide a one-page proof of Hastings' result that the correlations in the ground states of gapped Hamiltonians decay exponentially with distance (Hastings 2004 Phys. Rev. B 69 104431). We then apply the DL to derive a simpler and more intuitive proof of Hastings' seminal one-dimensional (1D) area law (Hastings 2007 J. Stat. Mech. (2007) P8024) (both these proofs are restricted to frustration-free systems). Proving the area law for two and higher dimensions is one of the most important open questions in the field of Hamiltonian complexity, and the combinatorial nature of the DL-based proof holds out hope for a possible generalization. Indeed, soon after the first publication of the methods presented here, they were applied to derive exponential improvements to Hastings' result (Arad et al 2011, Aharonov et al 2011) in the case of frustration-free 1D systems. Finally, we also provide a more general

  20. Betatron coupling: Merging Hamiltonian and matrix approaches

    Directory of Open Access Journals (Sweden)

    R. Calaga

    2005-03-01

    Full Text Available Betatron coupling is usually analyzed using either matrix formalism or Hamiltonian perturbation theory. The latter is less exact but provides a better physical insight. In this paper direct relations are derived between the two formalisms. This makes it possible to interpret the matrix approach in terms of resonances, as well as use results of both formalisms indistinctly. An approach to measure the complete coupling matrix and its determinant from turn-by-turn data is presented. Simulations using methodical accelerator design MAD-X, an accelerator design and tracking program, were performed to validate the relations and understand the scope of their application to real accelerators such as the Relativistic Heavy Ion Collider.

  1. Renormalized semiclassical quantization for rescalable Hamiltonians

    International Nuclear Information System (INIS)

    Takahashi, Satoshi; Takatsuka, Kazuo

    2004-01-01

    A renormalized semiclassical quantization method for rescalable Hamiltonians is proposed. A classical Hamilton system having a potential function that consists of homogeneous polynomials like the Coulombic potential can have a scale invariance in its extended phase space (phase space plus time). Consequently, infinitely many copies of a single trajectory constitute a one-parameter family that is characterized in terms of a scaling factor. This scaling invariance in classical dynamics is lost in quantum mechanics due to the presence of the Planck constant. It is shown that in a system whose classical motions have a self-similarity in the above sense, classical trajectories adopted in the semiclassical scheme interact with infinitely many copies of their own that are reproduced by the relevant scaling procedure, thereby undergoing quantum interference among themselves to produce a quantized spectrum

  2. Hamiltonian analysis of Plebanski theory

    International Nuclear Information System (INIS)

    Buffenoir, E; Henneaux, M; Noui, K; Roche, Ph

    2004-01-01

    We study the Hamiltonian formulation of Plebanski theory in both the Euclidean and Lorentzian cases. A careful analysis of the constraints shows that the system is non-regular, i.e., the rank of the Dirac matrix is non-constant on the non-reduced phase space. We identify the gravitational and topological sectors which are regular subspaces of the non-reduced phase space. The theory can be restricted to the regular subspace which contains the gravitational sector. We explicitly identify first- and second-class constraints in this case. We compute the determinant of the Dirac matrix and the natural measure for the path integral of the Plebanski theory (restricted to the gravitational sector). This measure is the analogue of the Leutwyler-Fradkin-Vilkovisky measure of quantum gravity

  3. Universal spin dynamics in quantum wires

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-10-01

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

  4. Vibration dependence of the tensor spin-spin and scalar spin-spin hyperfine interactions by precision measurement of hyperfine structures of 127I2 near 532 nm

    International Nuclear Information System (INIS)

    Hong Fenglei; Zhang Yun; Ishikawa, Jun; Onae, Atsushi; Matsumoto, Hirokazu

    2002-01-01

    Hyperfine structures of the R(87)33-0, R(145)37-0, and P(132)36-0 transitions of molecular iodine near 532 nm are measured by observing the heterodyne beat-note signal of two I 2 -stabilized lasers, whose frequencies are bridged by an optical frequency comb generator. The measured hyperfine splittings are fit to a four-term Hamiltonian, which includes the electric quadrupole, spin-rotation, tensor spin-spin, and scalar spin-spin interactions, with an accuracy of ∼720 Hz. High-accurate hyperfine constants are obtained from this fit. Vibration dependences of the tensor spin-spin and scalar spin-spin hyperfine constants are determined for molecular iodine, for the first time to our knowledge. The observed hyperfine transitions are good optical frequency references in the 532-nm region

  5. Quantum Statistical Operator and Classically Chaotic Hamiltonian ...

    African Journals Online (AJOL)

    Quantum Statistical Operator and Classically Chaotic Hamiltonian System. ... Journal of the Nigerian Association of Mathematical Physics ... In a Hamiltonian system von Neumann Statistical Operator is used to tease out the quantum consequence of (classical) chaos engendered by the nonlinear coupling of system to its ...

  6. Port Hamiltonian modeling of Power Networks

    NARCIS (Netherlands)

    van Schaik, F.; van der Schaft, Abraham; Scherpen, Jacquelien M.A.; Zonetti, Daniele; Ortega, R

    2012-01-01

    In this talk a full nonlinear model for the power network in port–Hamiltonian framework is derived to study its stability properties. For this we use the modularity approach i.e., we first derive the models of individual components in power network as port-Hamiltonian systems and then we combine all

  7. Hamiltonian representation of divergence-free fields

    International Nuclear Information System (INIS)

    Boozer, A.H.

    1984-11-01

    Globally divergence-free fields, such as the magnetic field and the vorticity, can be described by a two degree of freedom Hamiltonian. The Hamiltonian function provides a complete topological description of the field lines. The formulation also separates the dissipative and inertial time scale evolution of the magnetic and the vorticity fields

  8. Hamiltonian structure of linearly extended Virasoro algebra

    International Nuclear Information System (INIS)

    Arakelyan, T.A.; Savvidi, G.K.

    1991-01-01

    The Hamiltonian structure of linearly extended Virasoro algebra which admits free bosonic field representation is described. An example of a non-trivial extension is found. The hierarchy of integrable non-linear equations corresponding to this Hamiltonian structure is constructed. This hierarchy admits the Lax representation by matrix Lax operator of second order

  9. Momentum and hamiltonian in complex action theory

    DEFF Research Database (Denmark)

    Nagao, Keiichi; Nielsen, Holger Frits Bech

    2012-01-01

    $-parametrized wave function, which is a solution to an eigenvalue problem of a momentum operator $\\hat{p}$, in FPI with a starting Lagrangian. Solving the eigenvalue problem, we derive the momentum and Hamiltonian. Oppositely, starting from the Hamiltonian we derive the Lagrangian in FPI, and we are led...

  10. A parcel formulation for Hamiltonian layer models

    NARCIS (Netherlands)

    Bokhove, Onno; Oliver, M.

    Starting from the three-dimensional hydrostatic primitive equations, we derive Hamiltonian N-layer models with isentropic tropospheric and isentropic or isothermal stratospheric layers. Our construction employs a new parcel Hamiltonian formulation which describes the fluid as a continuum of

  11. On Distributed Port-Hamiltonian Process Systems

    NARCIS (Netherlands)

    Lopezlena, Ricardo; Scherpen, Jacquelien M.A.

    2004-01-01

    In this paper we use the term distributed port-Hamiltonian Process Systems (DPHPS) to refer to the result of merging the theory of distributed Port-Hamiltonian systems (DPHS) with the theory of process systems (PS). Such concept is useful for combining the systematic interconnection of PHS with the

  12. Relativistic magnetohydrodynamics as a Hamiltonian system

    International Nuclear Information System (INIS)

    Holm, D.D.; Kupershmidt, A.

    1985-01-01

    The equations of ideal relativistic magnetohydrodynamics in the laboratory frame form a noncanonical Hamiltonian system with the same Poisson bracket as for the nonrelativistic system, but with dynamical variables and Hamiltonian obtained via a regular deformation of their nonrelativistic counterparts [fr

  13. Hamiltonian Cycles on Random Eulerian Triangulations

    DEFF Research Database (Denmark)

    Guitter, E.; Kristjansen, C.; Nielsen, Jakob Langgaard

    1998-01-01

    . Considering the case n -> 0, this implies that the system of random Eulerian triangulations equipped with Hamiltonian cycles describes a c=-1 matter field coupled to 2D quantum gravity as opposed to the system of usual random triangulations equipped with Hamiltonian cycles which has c=-2. Hence, in this case...

  14. Almost periodic Hamiltonians: an algebraic approach

    International Nuclear Information System (INIS)

    Bellissard, J.

    1981-07-01

    We develop, by analogy with the study of periodic potential, an algebraic theory for almost periodic hamiltonians, leading to a generalized Bloch theorem. This gives rise to results concerning the spectral measures of these operators in terms of those of the corresponding Bloch hamiltonians

  15. Nested Sampling with Constrained Hamiltonian Monte Carlo

    OpenAIRE

    Betancourt, M. J.

    2010-01-01

    Nested sampling is a powerful approach to Bayesian inference ultimately limited by the computationally demanding task of sampling from a heavily constrained probability distribution. An effective algorithm in its own right, Hamiltonian Monte Carlo is readily adapted to efficiently sample from any smooth, constrained distribution. Utilizing this constrained Hamiltonian Monte Carlo, I introduce a general implementation of the nested sampling algorithm.

  16. Spin injection and filtering in halfmetal/semiconductor (CrAs/GaAs) heterostructures

    International Nuclear Information System (INIS)

    Stickler, B. A.; Ertler, C.; Pötz, W.; Chioncel, L.; Arrigoni, E.

    2013-01-01

    Theoretical investigations of spin-dependent transport in GaAS/CrAs/GaAs halfmetal-semiconductor heterostructures indicate that this system is a candidate for an efficient room temperature spin injector and filter. The spin dependent electronic structure of zincblende CrAs and the band offset between GaAs and CrAs are determined by ab-initio calculations within the method of linear muffin tin orbitals (LMTO). This band structure is mapped onto an effective sp 3 d 5 s* nearest neighbor tight-binding (TB) Hamiltonian and the steady-state transport characteristic is calculated within a non-equilibrium Green’s function approach. Even at room temperature we find current spin polarizations up to 97%

  17. The spin relaxation of nitrogen donors in 6H SiC crystals as studied by the electron spin echo method

    Science.gov (United States)

    Savchenko, D.; Shanina, B.; Kalabukhova, E.; Pöppl, A.; Lančok, J.; Mokhov, E.

    2016-04-01

    We present the detailed study of the spin kinetics of the nitrogen (N) donor electrons in 6H SiC wafers grown by the Lely method and by the sublimation "sandwich method" (SSM) with a donor concentration of about 1017 cm-3 at T = 10-40 K. The donor electrons of the N donors substituting quasi-cubic "k1" and "k2" sites (Nk1,k2) in both types of the samples revealed the similar temperature dependence of the spin-lattice relaxation rate (T1-1), which was described by the direct one-phonon and two-phonon processes induced by the acoustic phonons proportional to T and to T9, respectively. The character of the temperature dependence of the T1-1 for the donor electrons of N substituting hexagonal ("h") site (Nh) in both types of 6H SiC samples indicates that the donor electrons relax through the fast-relaxing centers by means of the cross-relaxation process. The observed enhancement of the phase memory relaxation rate (Tm-1) with the temperature increase for the Nh donors in both types of the samples, as well as for the Nk1,k2 donors in Lely grown 6H SiC, was explained by the growth of the free electron concentration with the temperature increase and their exchange scattering at the N donor centers. The observed significant shortening of the phase memory relaxation time Tm for the Nk1,k2 donors in the SSM grown sample with the temperature lowering is caused by hopping motion of the electrons between the occupied and unoccupied states of the N donors at Nh and Nk1,k2 sites. The impact of the N donor pairs, triads, distant donor pairs formed in n-type 6H SiC wafers on the spin relaxation times was discussed.

  18. Calcium phosphate/porous silicon biocomposites prepared by cyclic deposition methods: Spin coating vs electrochemical activation

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez-Montelongo, J., E-mail: jacobo.hernandez@uam.es [Departamento de Física Aplicada, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Gallach, D.; Naveas, N.; Torres-Costa, V. [Departamento de Física Aplicada, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Climent-Font, A. [Departamento de Física Aplicada, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Centro de Microanálisis de Materiales (CMAM), Universidad Autónoma de Madrid, Madrid 28049 (Spain); García-Ruiz, J.P. [Departamento de Biología Molecular, Universidad Autónoma de Madrid, Cantoblanco, Madrid 28049 (Spain); Manso-Silvan, M. [Departamento de Física Aplicada, Universidad Autónoma de Madrid, 28049 Madrid (Spain)

    2014-01-01

    Porous silicon (PSi) provides an excellent platform for bioengineering applications due to its biocompatibility, biodegradability, and bioresorbability. However, to promote its application as bone engineering scaffold, deposition of calcium phosphate (CaP) ceramics in its hydroxyapatite (HAP) phase is in progress. In that sense, this work focuses on the synthesis of CaP/PSi composites by means of two different techniques for CaP deposition on PSi: Cyclic Spin Coating (CSC) and Cyclic Electrochemical Activation (CEA). Both techniques CSC and CEA consisted on alternate Ca and P deposition steps on PSi. Each technique produced specific morphologies and CaP phases using the same independent Ca and P stem-solutions at neutral pH and at room temperature. The brushite (BRU) phase was favored with the CSC technique and the hydroxyapatite (HAP) phase was better synthesized using the CEA technique. Analyses by elastic backscattering spectroscopy (EBS) on CaP/PSi structures synthesized by CEA supported that, by controlling the CEA parameters, an HAP coating with the required Ca/P atomic ratio of 1.67 can be promoted. Biocompatibility was evaluated by bone-derived progenitor cells, which grew onto CaP/PSi prepared by CSC technique with a long-shaped actin cytoskeleton. The density of adhered cells was higher on CaP/PSi prepared by CEA, where cells presented a normal morphological appearance and active mitosis. These results can be used for the design and optimization of CaP/PSi composites with enhanced biocompatibility for bone-tissue engineering. - Highlights: • Proposed cyclic methods produce specific morphologies and CaP phases in biocomposites. • The brushite phase is favored in the biocomposite produced by Cyclic Spin Coating. • The hydroxyapatite phase is favored in the biocomposite produced by Cyclic Electrochemical Activation. • The Ca/P atomic ratio of hydroxyapatite was validated by elastic backscattering spectroscopy. • Cells grown showed morphological and

  19. Characterization of nanocrystalline ZnO:Al films by sol-gel spin coating method

    Energy Technology Data Exchange (ETDEWEB)

    Gareso, P. L., E-mail: pgareso@gmail.com; Rauf, N., E-mail: pgareso@gmail.com; Juarlin, E., E-mail: pgareso@gmail.com [Department of Physics, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Makassar 90245 (Indonesia); Sugianto,; Maddu, A. [Department of Physics, Faculty of Mathematics and Natural Sciences, Bogor Institute of Culture, IPB Bogor (Indonesia)

    2014-09-25

    Nanocrystalline ZnO films doped with aluminium by sol-gel spin coating method have been investigated using optical transmittance UV-Vis and X-ray diffraction (X-RD) measurements. ZnO films were prepared using zinc acetate dehydrate (Zn(CH{sub 3}COO){sub 2}@@‡2H{sub 2}O), ethanol, and diethanolamine (DEA) as a starting material, solvent, and stabilizer, respectively. For doped films, AlCl{sub 3} was added to the mixture. The ZnO:Al films were deposited on a transparent conductive oxide (TCO) substrate using spin coating technique at room temperature with a rate of 3000 rpm in 30 sec. The deposited films were annealed at various temperatures from 400°C to 600°C during 60 minutes. The transmittance UV-Vis measurement results showed that after annealing at 400°C, the energy band gap profile of nanocrystalline ZnO:Al film was a blue shift. This indicated that the band gap of ZnO:Al increased after annealing due to the increase of crystalline size. As the annealing temperature increased the bandgap energy was a constant. In addition to this, there was a small oscillation occurring after annealing compared to the as–grown samples. In the case of X-RD measurements, the crystalinity of the films were amorphous before annealing, and after annealing the crystalinity became enhance. Also, X-RD results showed that structure of nanocrystalline ZnO:Al films were hexagonal polycrystalline with lattice parameters are a = 3.290 Å and c = 5.2531 Å.

  20. Calcium phosphate/porous silicon biocomposites prepared by cyclic deposition methods: Spin coating vs electrochemical activation

    International Nuclear Information System (INIS)

    Hernandez-Montelongo, J.; Gallach, D.; Naveas, N.; Torres-Costa, V.; Climent-Font, A.; García-Ruiz, J.P.; Manso-Silvan, M.

    2014-01-01

    Porous silicon (PSi) provides an excellent platform for bioengineering applications due to its biocompatibility, biodegradability, and bioresorbability. However, to promote its application as bone engineering scaffold, deposition of calcium phosphate (CaP) ceramics in its hydroxyapatite (HAP) phase is in progress. In that sense, this work focuses on the synthesis of CaP/PSi composites by means of two different techniques for CaP deposition on PSi: Cyclic Spin Coating (CSC) and Cyclic Electrochemical Activation (CEA). Both techniques CSC and CEA consisted on alternate Ca and P deposition steps on PSi. Each technique produced specific morphologies and CaP phases using the same independent Ca and P stem-solutions at neutral pH and at room temperature. The brushite (BRU) phase was favored with the CSC technique and the hydroxyapatite (HAP) phase was better synthesized using the CEA technique. Analyses by elastic backscattering spectroscopy (EBS) on CaP/PSi structures synthesized by CEA supported that, by controlling the CEA parameters, an HAP coating with the required Ca/P atomic ratio of 1.67 can be promoted. Biocompatibility was evaluated by bone-derived progenitor cells, which grew onto CaP/PSi prepared by CSC technique with a long-shaped actin cytoskeleton. The density of adhered cells was higher on CaP/PSi prepared by CEA, where cells presented a normal morphological appearance and active mitosis. These results can be used for the design and optimization of CaP/PSi composites with enhanced biocompatibility for bone-tissue engineering. - Highlights: • Proposed cyclic methods produce specific morphologies and CaP phases in biocomposites. • The brushite phase is favored in the biocomposite produced by Cyclic Spin Coating. • The hydroxyapatite phase is favored in the biocomposite produced by Cyclic Electrochemical Activation. • The Ca/P atomic ratio of hydroxyapatite was validated by elastic backscattering spectroscopy. • Cells grown showed morphological and

  1. Spin-lattice relaxation of individual solid-state spins

    Science.gov (United States)

    Norambuena, A.; Muñoz, E.; Dinani, H. T.; Jarmola, A.; Maletinsky, P.; Budker, D.; Maze, J. R.

    2018-03-01

    Understanding the effect of vibrations on the relaxation process of individual spins is crucial for implementing nanosystems for quantum information and quantum metrology applications. In this work, we present a theoretical microscopic model to describe the spin-lattice relaxation of individual electronic spins associated to negatively charged nitrogen-vacancy centers in diamond, although our results can be extended to other spin-boson systems. Starting from a general spin-lattice interaction Hamiltonian, we provide a detailed description and solution of the quantum master equation of an electronic spin-one system coupled to a phononic bath in thermal equilibrium. Special attention is given to the dynamics of one-phonon processes below 1 K where our results agree with recent experimental findings and analytically describe the temperature and magnetic-field scaling. At higher temperatures, linear and second-order terms in the interaction Hamiltonian are considered and the temperature scaling is discussed for acoustic and quasilocalized phonons when appropriate. Our results, in addition to confirming a T5 temperature dependence of the longitudinal relaxation rate at higher temperatures, in agreement with experimental observations, provide a theoretical background for modeling the spin-lattice relaxation at a wide range of temperatures where different temperature scalings might be expected.

  2. Spin manipulation and relaxation in spin-orbit qubits

    Science.gov (United States)

    Borhani, Massoud; Hu, Xuedong

    2012-03-01

    We derive a generalized form of the electric dipole spin resonance (EDSR) Hamiltonian in the presence of the spin-orbit interaction for single spins in an elliptic quantum dot (QD) subject to an arbitrary (in both direction and magnitude) applied magnetic field. We predict a nonlinear behavior of the Rabi frequency as a function of the magnetic field for sufficiently large Zeeman energies, and present a microscopic expression for the anisotropic electron g tensor. Similarly, an EDSR Hamiltonian is devised for two spins confined in a double quantum dot (DQD), where coherent Rabi oscillations between the singlet and triplet states are induced by jittering the inter-dot distance at the resonance frequency. Finally, we calculate two-electron-spin relaxation rates due to phonon emission, for both in-plane and perpendicular magnetic fields. Our results have immediate applications to current EDSR experiments on nanowire QDs, g-factor optimization of confined carriers, and spin decay measurements in DQD spin-orbit qubits.

  3. Spin echo SPI methods for quantitative analysis of fluids in porous media.

    Science.gov (United States)

    Li, Linqing; Han, Hui; Balcom, Bruce J

    2009-06-01

    Fluid density imaging is highly desirable in a wide variety of porous media measurements. The SPRITE class of MRI methods has proven to be robust and general in their ability to generate density images in porous media, however the short encoding times required, with correspondingly high magnetic field gradient strengths and filter widths, and low flip angle RF pulses, yield sub-optimal S/N images, especially at low static field strength. This paper explores two implementations of pure phase encode spin echo 1D imaging, with application to a proposed new petroleum reservoir core analysis measurement. In the first implementation of the pulse sequence, we modify the spin echo single point imaging (SE-SPI) technique to acquire the k-space origin data point, with a near zero evolution time, from the free induction decay (FID) following a 90 degrees excitation pulse. Subsequent k-space data points are acquired by separately phase encoding individual echoes in a multi-echo acquisition. T(2) attenuation of the echo train yields an image convolution which causes blurring. The T(2) blur effect is moderate for porous media with T(2) lifetime distributions longer than 5 ms. As a robust, high S/N, and fast 1D imaging method, this method will be highly complementary to SPRITE techniques for the quantitative analysis of fluid content in porous media. In the second implementation of the SE-SPI pulse sequence, modification of the basic measurement permits fast determination of spatially resolved T(2) distributions in porous media through separately phase encoding each echo in a multi-echo CPMG pulse train. An individual T(2) weighted image may be acquired from each echo. The echo time (TE) of each T(2) weighted image may be reduced to 500 micros or less. These profiles can be fit to extract a T(2) distribution from each pixel employing a variety of standard inverse Laplace transform methods. Fluid content 1D images are produced as an essential by product of determining the

  4. Supersymmetry and pseudoclassical dynamics of particle with any spin

    International Nuclear Information System (INIS)

    Srivastava, P.P.

    1976-12-01

    The use of anticommuting c-numbers in describing physical systems and their simmetries has recently drawn much interest. Supersymmetry among bosons and fermions can be given an adequate formulation using them. Applications to Hamiltonian dynamics of electron adapting Dirac's method of handling singular Lagrangians were quite successful. An extension to particle of any spin following the systematic treatment of Casalbuoni et al. is discussed here. Formulation of Bargmann and Wigner for relativistic particle is obtained on quantization in self-consistent manner. It may be remarked that some of the Dirac brackets between anticommuting variables are required to go to commutators instead of anticommutators

  5. Magnetic resonance cisternography using the fast spin echo method for the evaluation of vestibular schwannoma

    Energy Technology Data Exchange (ETDEWEB)

    Nishizawa, Shigeru; Yokoyama, Tetsuo; Uemura, Kenichi [Hamamatsu Univ. School of Medicine, Shizuoka (Japan)

    1999-04-01

    Neuroimaging of vestibular schwannoma was performed with the fat-suppression spoiled gradient recalled acquisition in the steady state (SPGR) method and magnetic resonance (MR) cisternography, which is a fast spin echo method using a long echo train length, for the preoperative evaluation of the lateral extension of the tumor in the internal auditory canal, and the anatomical identification of the posterior semicircular canal and the nerves in the canal distal to the tumor. The SPGR method overestimated the lateral extension in eight cases, probably because of enhancement of the nerves adjacent to the tumor in the canal. The posterior semicircular canal could not be clearly identified, and the cranial nerves in the canal were shown only as a nerve bundle. In contrast, MR cisternography showed clear images of the lateral extension of the tumor and the facial and cochlear nerves adjacent to the tumor in the internal auditory canal. The anatomical location of the posterior semicircular canal was also clearly shown. These preoperative findings are very useful to plan the extent to which the internal auditory canal can be opened, and for intraoperative identification of the nerves in the canal. MR cisternography is less invasive since no contrast material or radiation is required, as with thin-slice high-resolution computed tomography (CT). MR cisternography should replace high-resolution CT for the preoperative neuroradiological evaluation of vestibular schwannoma. (author)

  6. Analytical methods applied to the study of lattice gauge and spin theories

    International Nuclear Information System (INIS)

    Moreo, Adriana.

    1985-01-01

    A study of interactions between quarks and gluons is presented. Certain difficulties of the quantum chromodynamics to explain the behaviour of quarks has given origin to the technique of lattice gauge theories. First the phase diagrams of the discrete space-time theories are studied. The analysis of the phase diagrams is made by numerical and analytical methods. The following items were investigated and studied: a) A variational technique was proposed to obtain very accurated values for the ground and first excited state energy of the analyzed theory; b) A mean-field-like approximation for lattice spin models in the link formulation which is a generalization of the mean-plaquette technique was developed; c) A new method to study lattice gauge theories at finite temperature was proposed. For the first time, a non-abelian model was studied with analytical methods; d) An abelian lattice gauge theory with fermionic matter at the strong coupling limit was analyzed. Interesting results applicable to non-abelian gauge theories were obtained. (M.E.L.) [es

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

    Science.gov (United States)

    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.

  8. Solutions to higher hamiltonians in the Toda hierarchies

    International Nuclear Information System (INIS)

    Ferreira, L.A.; Londe, R.M.

    1988-01-01

    We present a method for constructing the general solution to higher hamiltonians of the Toda hierarchies of integrable models associated to a simple Lie group G. The method depends on some special properties of the representations of the Lie algebra of G and it constitutes a generalization of the method used to construct the solutions of the Toda Molecula models. The SL(3) and SL(4) cases are discussed in detail. (author) [pt

  9. An algorithm for finding a similar subgraph of all Hamiltonian cycles

    Science.gov (United States)

    Wafdan, R.; Ihsan, M.; Suhaimi, D.

    2018-01-01

    This paper discusses an algorithm to find a similar subgraph called findSimSubG algorithm. A similar subgraph is a subgraph with a maximum number of edges, contains no isolated vertex and is contained in every Hamiltonian cycle of a Hamiltonian Graph. The algorithm runs only on Hamiltonian graphs with at least two Hamiltonian cycles. The algorithm works by examining whether the initial subgraph of the first Hamiltonian cycle is a subgraph of comparison graphs. If the initial subgraph is not in comparison graphs, the algorithm will remove edges and vertices of the initial subgraph that are not in comparison graphs. There are two main processes in the algorithm, changing Hamiltonian cycle into a cycle graph and removing edges and vertices of the initial subgraph that are not in comparison graphs. The findSimSubG algorithm can find the similar subgraph without using backtracking method. The similar subgraph cannot be found on certain graphs, such as an n-antiprism graph, complete bipartite graph, complete graph, 2n-crossed prism graph, n-crown graph, n-möbius ladder, prism graph, and wheel graph. The complexity of this algorithm is O(m|V|), where m is the number of Hamiltonian cycles and |V| is the number of vertices of a Hamiltonian graph.

  10. /sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. I. New method of determining the configuration of oximes and their derivatives

    Energy Technology Data Exchange (ETDEWEB)

    Krivdin, L.B.; Shcherbakov, V.V.; Kalabin, G.A.

    1986-07-10

    It was shown that the direct /sup 13/C-/sup 13/C spin-spin coupling constants can be used for the unambiguous identification of the configurational isomers of oximes and their derivatives. The stereospecificity of the constants is explained by the additional contribution from the unshared electron pair of the nitrogen atom to the spin-spin coupling constant between the adjacent carbon nuclei in the cis position.

  11. Hamiltonian reductions in plasma physics about intrinsic gyrokinetic

    International Nuclear Information System (INIS)

    Guillebon de Resnes, L. de

    2013-01-01

    Gyrokinetic is a key model for plasma micro-turbulence, commonly used for fusion plasmas or small-scale astrophysical turbulence, for instance. The model still suffers from several issues, which could imply to reconsider the equations. This thesis dissertation clarifies three of them. First, one of the coordinates caused questions, both from a physical and from a mathematical point of view; a suitable constrained coordinate is introduced, which removes the issues from the theory and explains the intrinsic structures underlying the questions. Second, the perturbative coordinate transformation for gyrokinetic was computed only at lowest orders; explicit induction relations are obtained to go arbitrary order in the expansion. Third, the introduction of the coupling between the plasma and the electromagnetic field was not completely satisfactory; using the Hamiltonian structure of the dynamics, it is implemented in a more appropriate way, with strong consequences on the gyrokinetic equations, especially about their Hamiltonian structure. In order to address these three main points, several other results are obtained, for instance about the origin of the guiding-center adiabatic invariant, about a very efficient minimal guiding center transformation, or about an intermediate Hamiltonian model between Vlasov-Maxwell and gyrokinetic, where the characteristics include both the slow guiding-center dynamics and the fast gyro-angle dynamics. In addition, various reduction methods are used, introduced or developed, e.g. a Lie-transform of the equations of motion, a lifting method to transfer particle reductions to the corresponding Hamiltonian field dynamics, or a truncation method related both to Dirac's theory of constraints and to a projection onto a Lie-subalgebra. Besides gyrokinetic, this is useful to clarify other Hamiltonian reductions in plasma physics, for instance for incompressible or electrostatic dynamics, for magnetohydrodynamics, or for fluid closures including

  12. Quasiclassical methods for spin-charge coupled dynamics in low-dimensional systems

    Energy Technology Data Exchange (ETDEWEB)

    Corini, Cosimo

    2009-06-12

    Spintronics is a new field of study whose broad aim is the manipulation of the spin degrees of freedom in solid state systems. One of its main goals is the realization of devices capable of exploiting, besides the charge, the carriers' - and possibly the nuclei's - spin. The presence of spin-orbit coupling in a system enables the spin and charge degrees of freedom to ''communicate'', a favorable situation if one is to realize such devices. More importantly, it offers the opportunity of doing so by relying solely on electric fields, whereas magnetic fields are otherwise required. Eminent examples of versatile systems with built-in and variously tunable spin-orbit interaction are two-dimensional electron - or hole - gases. The study of spin-charge coupled dynamics in such a context faces a large number of open questions, both of the fundamental and of the more practical type. To tackle the problem we rely on the quasiclassical formalism. This is an approximate quantum-field theoretical formulation with a solid microscopic foundation, perfectly suited for describing phenomena at the mesoscopic scale, and bearing a resemblance to standard Boltzmann theory which makes for physical transparency. Originally born to deal with transport in electron-phonon systems, we first generalize it to the case in which spin-orbit coupling is present, and then move on to apply it to specific situations and phenomena. Among these, to the description of the spin Hall effect and of voltage induced spin polarizations in two-dimensional electron gases under a variety of conditions - stationary or time-dependent, in the presence of magnetic and non-magnetic disorder, in the bulk or in confined geometries -, and to the problem of spin relaxation in narrow wires. (orig.)

  13. Quasiclassical methods for spin-charge coupled dynamics in low-dimensional systems

    International Nuclear Information System (INIS)

    Corini, Cosimo

    2009-01-01

    Spintronics is a new field of study whose broad aim is the manipulation of the spin degrees of freedom in solid state systems. One of its main goals is the realization of devices capable of exploiting, besides the charge, the carriers' - and possibly the nuclei's - spin. The presence of spin-orbit coupling in a system enables the spin and charge degrees of freedom to ''communicate'', a favorable situation if one is to realize such devices. More importantly, it offers the opportunity of doing so by relying solely on electric fields, whereas magnetic fields are otherwise required. Eminent examples of versatile systems with built-in and variously tunable spin-orbit interaction are two-dimensional electron - or hole - gases. The study of spin-charge coupled dynamics in such a context faces a large number of open questions, both of the fundamental and of the more practical type. To tackle the problem we rely on the quasiclassical formalism. This is an approximate quantum-field theoretical formulation with a solid microscopic foundation, perfectly suited for describing phenomena at the mesoscopic scale, and bearing a resemblance to standard Boltzmann theory which makes for physical transparency. Originally born to deal with transport in electron-phonon systems, we first generalize it to the case in which spin-orbit coupling is present, and then move on to apply it to specific situations and phenomena. Among these, to the description of the spin Hall effect and of voltage induced spin polarizations in two-dimensional electron gases under a variety of conditions - stationary or time-dependent, in the presence of magnetic and non-magnetic disorder, in the bulk or in confined geometries -, and to the problem of spin relaxation in narrow wires. (orig.)

  14. Calculation of spin-dependent observables in electron-sodium scattering using the coupled-channel optical method

    International Nuclear Information System (INIS)

    Bray, Igor.

    1992-04-01

    The calculations of the 3 2 S and 3 2 P spin asymmetries and the angular momentum for singlet and triplet scattering for projectile energies of 10 and 20 eV is presented. Together these observables give a most stringent test of any electron-atom scattering theory. An excellent agreement was found between the results of the coupled-channel optical method and experiment, which for the spin asymmetries can only be obtained by a good description of the couplings between the lower-lying target states and the target continuum. 10 refs., 2 figs

  15. Nonequilibrium Kondo effect by the equilibrium numerical renormalization group method: The hybrid Anderson model subject to a finite spin bias

    Science.gov (United States)

    Fang, Tie-Feng; Guo, Ai-Min; Sun, Qing-Feng

    2018-06-01

    We investigate Kondo correlations in a quantum dot with normal and superconducting electrodes, where a spin bias voltage is applied across the device and the local interaction U is either attractive or repulsive. When the spin current is blockaded in the large-gap regime, this nonequilibrium strongly correlated problem maps into an equilibrium model solvable by the numerical renormalization group method. The Kondo spectra with characteristic splitting due to the nonequilibrium spin accumulation are thus obtained at high precision. It is shown that while the bias-induced decoherence of the spin Kondo effect is partially compensated by the superconductivity, the charge Kondo effect is enhanced out of equilibrium and undergoes an additional splitting by the superconducting proximity effect, yielding four Kondo peaks in the local spectral density. In the charge Kondo regime, we find a universal scaling of charge conductance in this hybrid device under different spin biases. The universal conductance as a function of the coupling to the superconducting lead is peaked at and hence directly measures the Kondo temperature. Our results are of direct relevance to recent experiments realizing a negative-U charge Kondo effect in hybrid oxide quantum dots [Nat. Commun. 8, 395 (2017), 10.1038/s41467-017-00495-7].

  16. All 36 exactly solvable solutions of eigenvalues for nuclear electric quadrupole interaction Hamiltonian and equivalent rigid asymmetric rotor with expanded characteristic equation listing

    Energy Technology Data Exchange (ETDEWEB)

    Menke, Lorenz Harry, E-mail: lnz2004@mindspring.com [University of Pittsburgh (United States)

    2012-05-15

    This paper derives all 36 analytical solutions of the energy eigenvalues for nuclear electric quadrupole interaction Hamiltonian and equivalent rigid asymmetric rotor for polynomial degrees 1 through 4 using classical algebraic theory. By the use of double-parameterization the full general solution sets are illustrated in a compact, symmetric, structural, and usable form that is valid for asymmetry parameter {eta} is an element of (- {infinity}, + {infinity}). These results are useful for code developers in the area of Perturbed Angular Correlation (PAC), Nuclear Quadrupole Resonance (NQR) and rotational spectroscopy who want to offer exact solutions whenever possible, rather that resorting to numerical solutions. In addition, by using standard linear algebra methods, the characteristic equations of all integer and half-integer spins I from 0 to 15, inclusive are represented in a compact and naturally parameterized form that illustrates structure and symmetries. This extends Nielson's listing of characteristic equations for integer spins out to I = 15, inclusive.

  17. Hamiltonian theory of vacuum helical torus lines of magnetic force

    International Nuclear Information System (INIS)

    Gnudi, Giovanni; Hatori, Tadatsugu

    1994-01-01

    For making plasma into equilibrium state, the lines of magnetic force must have magnetic surfaces. However in a helical system, space is divided into the region having magnetic surface structure and the region that does not have it. Accordingly, it is an important basic research for the plasma confinement in a helical system to examine where is the boundary of both regions and how is the large area structure of the lines of magnetic force in the boundary region. The lines of magnetic force can be treated as a Hamilton mechanics system, and it has been proved that the Hamiltonian for the lines of magnetic force can be expressed by a set of canonical variables and the function of time. In this research, the Hamiltonian that describes the lines of magnetic force of helical system torus coordination in vacuum was successfully determined concretely. Next, the development of new linear symplectic integration method was carried out. The important supports for the theory of determining Hamiltonian are Lie transformation and paraxial expansion. The procedure is explained. In Appendix, Lie transformation, Hamiltonian for the lines of magnetic force, magnetic potential, Taylor expansion of the potential, cylindrical limit approximation, helical toroidal potential and integrable model are described. (K.I.)

  18. Doped indium nitride thin film by sol-gel spin coating method

    Science.gov (United States)

    Lee, Hui San; Ng, Sha Shiong; Yam, Fong Kwong

    2017-12-01

    In this study, magnesium doped indium nitride (InN:Mg) thin films grown on silicon (100) substrate were prepared via sol-gel spin coating method followed by nitridation process. A custom-made tube furnace was used to perform the nitridation process. Through this method, the low dissociation temperature issue of InN:Mg thin films can be solved. The deposited InN:Mg thin films were investigated using various techniques. The X-rays diffraction results revealed that two intense diffraction peaks correspond to wurtzite structure InN (100), and InN (101) were observed at 29° and 33.1° respectively. Field emission scanning electron microscopy images showed that the surface of the films exhibits densely packed grains. The elemental composition of the deposited thin films was analyzed using energy dispersive X-rays spectroscopy. The detected atomic percentages for In, N, and Mg were 43.22 %, 3.28 %, and 0.61 % respectively. The Raman spectra showed two Raman- and infrared-active modes of E2 (High) and A1 (LO) of the wurtzite InN. The band gap obtained from the Tauc plot showed around 1.74 eV. Lastly, the average surface roughness measured by AFM was around 0.133 µm.

  19. Hamiltonian formalism for perfect fluids in general relativity

    International Nuclear Information System (INIS)

    Demaret, J.; Moncrief, V.

    1980-01-01

    Schutz's Hamiltonian theory of a relativistic perfect fluid, based on the velocity-potential version of classical perfect fluid hydrodynamics as formulated by Seliger and Whitham, is used to derive, in the framework of the Arnowitt, Deser, and Misner (ADM) method, a general partially reduced Hamiltonian for relativistic systems filled with a perfect fluid. The time coordinate is chosen, as in Lund's treatment of collapsing balls of dust, as minus the only velocity potential different from zero in the case of an irrotational and isentropic fluid. A ''semi-Dirac'' method can be applied to quantize astrophysical and cosmological models in the framework of this partially reduced formalism. If one chooses Taub's adapted comoving coordinate system, it is possible to derive a fully reduced ADM Hamiltonian, which is equal to minus the total baryon number of the fluid, generalizing a result previously obtained by Moncrief in the more particular framework of Taub's variational principle, valid for self-gravitating barotropic relativistic perfect fluids. An unconstrained Hamiltonian density is then explicitly derived for a fluid obeying the equation of state p=(gamma-1)rho (1 < or = γ < or = 2), which can adequately describe the phases of very high density attained in a catastrophic collapse or during the early stages of the Universe. This Hamiltonian density, shown to be equivalent to Moncrief's in the particular case of an isentropic fluid, can be simplified for fluid-filled class-A diagonal Bianchi-type cosmological models and appears as a suitable starting point for the study of the canonical quantization of these models

  20. A method for the accurate determination of the polarization of a neutron beam using a polarized 3He spin filter

    International Nuclear Information System (INIS)

    Greene, G.L.; Thompson, A.K.; Dewey, M.S.

    1995-01-01

    A new method for the accurate determination of the degree of polarization of a neutron beam which has been polarized by transmission through a spin polarized 3 He cell is given. The method does not require the use of an analyzer or spin flipper nor does it require an accurate independent determination of the 3 He polarization. The method provides a continuous on-line determination of the neutron polarization. The method may be of use in the accurate determination of correlation coefficients in neutron beta decay which provide a test of the standard model for the electroweak interaction. The method may also provide an accurate procedure for the calibration of polarized 3 He targets used in medium and high energy scattering experiments. ((orig.))

  1. Spin squeezing and entanglement in a dispersive cavity

    International Nuclear Information System (INIS)

    Deb, R. N.; Abdalla, M. Sebawe; Hassan, S. S.; Nayak, N.

    2006-01-01

    We consider a system of N two-level atoms (spins) interacting with the radiation field in a dispersive but high-Q cavity. Under an adiabatic condition, the interaction Hamiltonian reduces to a function of spin operators which is capable of producing spin squeezing. For a bipartite system (N=2), the expressions for spin squeezing get very simple, giving a clear indication of close to 100% noise reduction. We analyse this squeezing as a measure of bipartite entanglement

  2. The possibility to determine a constant of spin-orbit interaction by scanning tunneling microscopy method

    International Nuclear Information System (INIS)

    Khotkevich, N.V.; Kolesnichenko, Yu.A.; Vovk, N.P.

    2016-01-01

    The electron tunneling from the quasi-two-dimensional (surface) states with the spin-orbit interaction into bulk-mode states is studied in the framework of a model of an infinitely thin inhomogeneous tunnel magnetic barrier. The influence of the scattering of quasi-two-dimensional electrons by a single magnetic defect on the tunnel current is analyzed. Analytic formulas for the conductance of a tunnel point-contact as a function of its distance from the defect are obtained. It is shown that the analysis of the local magnetization density around the defect by means of spin-polarized scanning tunneling microscopy allows finding the constant of spin orbit interaction.

  3. Spin labels. Applications in biology

    International Nuclear Information System (INIS)

    Frangopol, T.P.; Frangopol, M.; Ionescu, S.M.; Pop, I.V.; Benga, G.

    1980-11-01

    The main applications of spin labels in the study of biomembranes, enzymes, nucleic acids, in pharmacology, spin immunoassay are reviewed along with the fundamentals of the spin label method. 137 references. (author)

  4. Optimal matrix product states for the Heisenberg spin chain

    International Nuclear Information System (INIS)

    Latorre, Jose I; Pico, Vicent

    2009-01-01

    We present some exact results for the optimal matrix product state (MPS) approximation to the ground state of the infinite isotropic Heisenberg spin-1/2 chain. Our approach is based on the systematic use of Schmidt decompositions to reduce the problem of approximating for the ground state of a spin chain to an analytical minimization. This allows one to show that results of standard simulations, e.g. density matrix renormalization group and infinite time evolving block decimation, do correspond to the result obtained by this minimization strategy and, thus, both methods deliver optimal MPS with the same energy but, otherwise, different properties. We also find that translational and rotational symmetries cannot be maintained simultaneously by the MPS ansatz of minimum energy and present explicit constructions for each case. Furthermore, we analyze symmetry restoration and quantify it to uncover new scaling relations. The method we propose can be extended to any translational invariant Hamiltonian

  5. Incomplete Dirac reduction of constrained Hamiltonian systems

    Energy Technology Data Exchange (ETDEWEB)

    Chandre, C., E-mail: chandre@cpt.univ-mrs.fr

    2015-10-15

    First-class constraints constitute a potential obstacle to the computation of a Poisson bracket in Dirac’s theory of constrained Hamiltonian systems. Using the pseudoinverse instead of the inverse of the matrix defined by the Poisson brackets between the constraints, we show that a Dirac–Poisson bracket can be constructed, even if it corresponds to an incomplete reduction of the original Hamiltonian system. The uniqueness of Dirac brackets is discussed. The relevance of this procedure for infinite dimensional Hamiltonian systems is exemplified.

  6. Quantum entangling power of adiabatically connected Hamiltonians

    International Nuclear Information System (INIS)

    Hamma, Alioscia; Zanardi, Paolo

    2004-01-01

    The space of quantum Hamiltonians has a natural partition in classes of operators that can be adiabatically deformed into each other. We consider parametric families of Hamiltonians acting on a bipartite quantum state space. When the different Hamiltonians in the family fall in the same adiabatic class, one can manipulate entanglement by moving through energy eigenstates corresponding to different values of the control parameters. We introduce an associated notion of adiabatic entangling power. This novel measure is analyzed for general dxd quantum systems, and specific two-qubit examples are studied

  7. Entangled spin chain

    Science.gov (United States)

    Salberger, Olof; Korepin, Vladimir

    We introduce a new model of interacting spin 1/2. It describes interactions of three nearest neighbors. The Hamiltonian can be expressed in terms of Fredkin gates. The Fredkin gate (also known as the controlled swap gate) is a computational circuit suitable for reversible computing. Our construction generalizes the model presented by Peter Shor and Ramis Movassagh to half-integer spins. Our model can be solved by means of Catalan combinatorics in the form of random walks on the upper half plane of a square lattice (Dyck walks). Each Dyck path can be mapped on a wave function of spins. The ground state is an equally weighted superposition of Dyck walks (instead of Motzkin walks). We can also express it as a matrix product state. We further construct a model of interacting spins 3/2 and greater half-integer spins. The models with higher spins require coloring of Dyck walks. We construct a SU(k) symmetric model (where k is the number of colors). The leading term of the entanglement entropy is then proportional to the square root of the length of the lattice (like in the Shor-Movassagh model). The gap closes as a high power of the length of the lattice [5, 11].

  8. Adaptive optics in spinning disk microscopy: improved contrast and brightness by a simple and fast method.

    Science.gov (United States)

    Fraisier, V; Clouvel, G; Jasaitis, A; Dimitrov, A; Piolot, T; Salamero, J

    2015-09-01

    Multiconfocal microscopy gives a good compromise between fast imaging and reasonable resolution. However, the low intensity of live fluorescent emitters is a major limitation to this technique. Aberrations induced by the optical setup, especially the mismatch of the refractive index and the biological sample itself, distort the point spread function and further reduce the amount of detected photons. Altogether, this leads to impaired image quality, preventing accurate analysis of molecular processes in biological samples and imaging deep in the sample. The amount of detected fluorescence can be improved with adaptive optics. Here, we used a compact adaptive optics module (adaptive optics box for sectioning optical microscopy), which was specifically designed for spinning disk confocal microscopy. The module overcomes undesired anomalies by correcting for most of the aberrations in confocal imaging. Existing aberration detection methods require prior illumination, which bleaches the sample. To avoid multiple exposures of the sample, we established an experimental model describing the depth dependence of major aberrations. This model allows us to correct for those aberrations when performing a z-stack, gradually increasing the amplitude of the correction with depth. It does not require illumination of the sample for aberration detection, thus minimizing photobleaching and phototoxicity. With this model, we improved both signal-to-background ratio and image contrast. Here, we present comparative studies on a variety of biological samples. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

  9. A new spinning reserve requirement forecast method for deregulated electricity markets

    International Nuclear Information System (INIS)

    Amjady, Nima; Keynia, Farshid

    2010-01-01

    Ancillary services are necessary for maintaining the security and reliability of power systems and constitute an important part of trade in competitive electricity markets. Spinning Reserve (SR) is one of the most important ancillary services for saving power system stability and integrity in response to contingencies and disturbances that continuously occur in the power systems. Hence, an accurate day-ahead forecast of SR requirement helps the Independent System Operator (ISO) to conduct a reliable and economic operation of the power system. However, SR signal has complex, non-stationary and volatile behavior along the time domain and depends greatly on system load. In this paper, a new hybrid forecast engine is proposed for SR requirement prediction. The proposed forecast engine has an iterative training mechanism composed of Levenberg-Marquadt (LM) learning algorithm and Real Coded Genetic Algorithm (RCGA), implemented on the Multi-Layer Perceptron (MLP) neural network. The proposed forecast methodology is examined by means of real data of Pennsylvania-New Jersey-Maryland (PJM) electricity market and the California ISO (CAISO) controlled grid. The obtained forecast results are presented and compared with those of the other SR forecast methods. (author)

  10. Developing and testing the density of states FFA method in the SU(3) spin model

    Energy Technology Data Exchange (ETDEWEB)

    Giuliani, Mario; Gattringer, Christof, E-mail: christof.gattringer@uni-graz.at; Törek, Pascal

    2016-12-15

    The Density of States Functional Fit Approach (DoS FFA) is a recently proposed modern density of states technique suitable for calculations in lattice field theories with a complex action problem. In this article we present an exploratory implementation of DoS FFA for the SU(3) spin system at finite chemical potential μ – an effective theory for the Polyakov loop. This model has a complex action problem similar to the one of QCD but also allows for a dual simulation in terms of worldlines where the complex action problem is solved. Thus we can compare the DoS FFA results to the reference data from the dual simulation and assess the performance of the new approach. We find that the method reproduces the observables from the dual simulation for a large range of μ values, including also phase transitions, illustrating that DoS FFA is an interesting approach for exploring phase diagrams of lattice field theories with a complex action problem.

  11. A new spinning reserve requirement forecast method for deregulated electricity markets

    Energy Technology Data Exchange (ETDEWEB)

    Amjady, Nima; Keynia, Farshid [Department of Electrical Engineering, Semnan University, Semnan (Iran)

    2010-06-15

    Ancillary services are necessary for maintaining the security and reliability of power systems and constitute an important part of trade in competitive electricity markets. Spinning Reserve (SR) is one of the most important ancillary services for saving power system stability and integrity in response to contingencies and disturbances that continuously occur in the power systems. Hence, an accurate day-ahead forecast of SR requirement helps the Independent System Operator (ISO) to conduct a reliable and economic operation of the power system. However, SR signal has complex, non-stationary and volatile behavior along the time domain and depends greatly on system load. In this paper, a new hybrid forecast engine is proposed for SR requirement prediction. The proposed forecast engine has an iterative training mechanism composed of Levenberg-Marquadt (LM) learning algorithm and Real Coded Genetic Algorithm (RCGA), implemented on the Multi-Layer Perceptron (MLP) neural network. The proposed forecast methodology is examined by means of real data of Pennsylvania-New Jersey-Maryland (PJM) electricity market and the California ISO (CAISO) controlled grid. The obtained forecast results are presented and compared with those of the other SR forecast methods. (author)

  12. Quadratic time dependent Hamiltonians and separation of variables

    Science.gov (United States)

    Anzaldo-Meneses, A.

    2017-06-01

    Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.

  13. Spin valley and giant quantum spin Hall gap of hydrofluorinated bismuth nanosheet.

    Science.gov (United States)

    Gao, Heng; Wu, Wei; Hu, Tao; Stroppa, Alessandro; Wang, Xinran; Wang, Baigeng; Miao, Feng; Ren, Wei

    2018-05-09

    Spin-valley and electronic band topological properties have been extensively explored in quantum material science, yet their coexistence has rarely been realized in stoichiometric two-dimensional (2D) materials. We theoretically predict the quantum spin Hall effect (QSHE) in the hydrofluorinated bismuth (Bi 2 HF) nanosheet where the hydrogen (H) and fluorine (F) atoms are functionalized on opposite sides of bismuth (Bi) atomic monolayer. Such Bi 2 HF nanosheet is found to be a 2D topological insulator with a giant band gap of 0.97 eV which might host room temperature QSHE. The atomistic structure of Bi 2 HF nanosheet is noncentrosymmetric and the spontaneous polarization arises from the hydrofluorinated morphology. The phonon spectrum and ab initio molecular dynamic (AIMD) calculations reveal that the proposed Bi 2 HF nanosheet is dynamically and thermally stable. The inversion symmetry breaking together with spin-orbit coupling (SOC) leads to the coupling between spin and valley in Bi 2 HF nanosheet. The emerging valley-dependent properties and the interplay between intrinsic dipole and SOC are investigated using first-principles calculations combined with an effective Hamiltonian model. The topological invariant of the Bi 2 HF nanosheet is confirmed by using Wilson loop method and the calculated helical metallic edge states are shown to host QSHE. The Bi 2 HF nanosheet is therefore a promising platform to realize room temperature QSHE and valley spintronics.

  14. Existence of infinitely many periodic solutions for second-order nonautonomous Hamiltonian systems

    Directory of Open Access Journals (Sweden)

    Wen Guan

    2015-04-01

    Full Text Available By using minimax methods and critical point theory, we obtain infinitely many periodic solutions for a second-order nonautonomous Hamiltonian systems, when the gradient of potential energy does not exceed linear growth.

  15. Multi-symplectic integrators: numerical schemes for Hamiltonian PDEs that conserve symplecticity

    Science.gov (United States)

    Bridges, Thomas J.; Reich, Sebastian

    2001-06-01

    The symplectic numerical integration of finite-dimensional Hamiltonian systems is a well established subject and has led to a deeper understanding of existing methods as well as to the development of new very efficient and accurate schemes, e.g., for rigid body, constrained, and molecular dynamics. The numerical integration of infinite-dimensional Hamiltonian systems or Hamiltonian PDEs is much less explored. In this Letter, we suggest a new theoretical framework for generalizing symplectic numerical integrators for ODEs to Hamiltonian PDEs in R2: time plus one space dimension. The central idea is that symplecticity for Hamiltonian PDEs is directional: the symplectic structure of the PDE is decomposed into distinct components representing space and time independently. In this setting PDE integrators can be constructed by concatenating uni-directional ODE symplectic integrators. This suggests a natural definition of multi-symplectic integrator as a discretization that conserves a discrete version of the conservation of symplecticity for Hamiltonian PDEs. We show that this approach leads to a general framework for geometric numerical schemes for Hamiltonian PDEs, which have remarkable energy and momentum conservation properties. Generalizations, including development of higher-order methods, application to the Euler equations in fluid mechanics, application to perturbed systems, and extension to more than one space dimension are also discussed.

  16. Jacobi fields of completely integrable Hamiltonian systems

    International Nuclear Information System (INIS)

    Giachetta, G.; Mangiarotti, L.; Sardanashvily, G.

    2003-01-01

    We show that Jacobi fields of a completely integrable Hamiltonian system of m degrees of freedom make up an extended completely integrable system of 2m degrees of freedom, where m additional first integrals characterize a relative motion

  17. Integrable Hamiltonian systems and spectral theory

    CERN Document Server

    Moser, J

    1981-01-01

    Classical integrable Hamiltonian systems and isospectral deformations ; geodesics on an ellipsoid and the mechanical system of C. Neumann ; the Schrödinger equation for almost periodic potentials ; finite band potentials ; limit cases, Bargmann potentials.

  18. Spectral properties of almost-periodic Hamiltonians

    International Nuclear Information System (INIS)

    Lima, R.

    1983-12-01

    We give a description of some spectral properties of almost-periodic hamiltonians. We put the stress on some particular points of the proofs of the existence of absolutely continuous or pure point spectrum [fr

  19. Air parcels and air particles: Hamiltonian dynamics

    NARCIS (Netherlands)

    Bokhove, Onno; Lynch, Peter

    We present a simple Hamiltonian formulation of the Euler equations for fluid flow in the Lagrangian framework. In contrast to the conventional formulation, which involves coupled partial differential equations, our "innovative'' mathematical formulation involves only ordinary differential equations

  20. Discrete Hamiltonian evolution and quantum gravity

    International Nuclear Information System (INIS)

    Husain, Viqar; Winkler, Oliver

    2004-01-01

    We study constrained Hamiltonian systems by utilizing general forms of time discretization. We show that for explicit discretizations, the requirement of preserving the canonical Poisson bracket under discrete evolution imposes strong conditions on both allowable discretizations and Hamiltonians. These conditions permit time discretizations for a limited class of Hamiltonians, which does not include homogeneous cosmological models. We also present two general classes of implicit discretizations which preserve Poisson brackets for any Hamiltonian. Both types of discretizations generically do not preserve first class constraint algebras. Using this observation, we show that time discretization provides a complicated time gauge fixing for quantum gravity models, which may be compared with the alternative procedure of gauge fixing before discretization

  1. Hamiltonian cycle problem and Markov chains

    CERN Document Server

    Borkar, Vivek S; Filar, Jerzy A; Nguyen, Giang T

    2014-01-01

    This book summarizes a line of research that maps certain classical problems of discrete mathematics and operations research - such as the Hamiltonian cycle and the Travelling Salesman problems - into convex domains where continuum analysis can be carried out.

  2. Variable Delay in port-Hamiltonian Telemanipulation

    NARCIS (Netherlands)

    Secchi, C; Stramigioli, Stefano; Fantuzzi, C.

    2006-01-01

    In several applications involving bilateral telemanipulation, master and slave act at different power scales. In this paper a strategy for passively dealing with variable communication delay in scaled port-Hamiltonian based telemanipulation over packet switched networks is proposed.

  3. Construction of Hamiltonians by supervised learning of energy and entanglement spectra

    Science.gov (United States)

    Fujita, Hiroyuki; Nakagawa, Yuya O.; Sugiura, Sho; Oshikawa, Masaki

    2018-02-01

    Correlated many-body problems ubiquitously appear in various fields of physics such as condensed matter, nuclear, and statistical physics. However, due to the interplay of the large number of degrees of freedom, it is generically impossible to treat these problems from first principles. Thus the construction of a proper model, namely, effective Hamiltonian, is essential. Here, we propose a simple supervised learning algorithm for constructing Hamiltonians from given energy or entanglement spectra. We apply the proposed scheme to the Hubbard model at the half-filling, and compare the obtained effective low-energy spin model with several analytic results based on the high-order perturbation theory, which have been inconsistent with each other. We also show that our approach can be used to construct the entanglement Hamiltonian of a quantum many-body state from its entanglement spectrum as well. We exemplify this using the ground states of the S =1 /2 two-leg Heisenberg ladders. We observe a qualitative difference between the entanglement Hamiltonians of the two phases (the Haldane and the rung singlet phase) of the model due to the different origin of the entanglement. In the Haldane phase, we find that the entanglement Hamiltonian is nonlocal by nature, and the locality can be restored by introducing the anisotropy and turning the ground state into the large-D phase. Possible applications to the model construction from experimental data and to various problems of strongly correlated systems are discussed.

  4. Quantum spin correction scheme based on spin-correlation functional for Kohn-Sham spin density functional theory

    International Nuclear Information System (INIS)

    Yamanaka, Shusuke; Takeda, Ryo; Nakata, Kazuto; Takada, Toshikazu; Shoji, Mitsuo; Kitagawa, Yasutaka; Yamaguchi, Kizashi

    2007-01-01

    We present a simple quantum correction scheme for ab initio Kohn-Sham spin density functional theory (KS-SDFT). This scheme is based on a mapping from ab initio results to a Heisenberg model Hamiltonian. The effective exchange integral is estimated by using energies and spin correlation functionals calculated by ab initio KS-SDFT. The quantum-corrected spin-correlation functional is open to be designed to cover specific quantum spin fluctuations. In this article, we present a simple correction for dinuclear compounds having multiple bonds. The computational results are discussed in relation to multireference (MR) DFT, by which we treat the quantum many-body effects explicitly

  5. The fabrication of highly uniform ZnO/CdS core/shell structures using a spin-coating-based successive ion layer adsorption and reaction method

    International Nuclear Information System (INIS)

    Joo, Jinmyoung; Kim, Darae; Yun, Dong-Jin; Jun, Hwichan; Rhee, Shi-Woo; Lee, Jae Sung; Yong, Kijung; Jeon, Sangmin; Kim, Sungjee

    2010-01-01

    We developed a successive ion layer adsorption and reaction method based on spin-coating (spin-SILAR) and applied the method to the fabrication of highly uniform ZnO/CdS core/shell nanowire arrays. Because the adsorption, reaction, and rinsing steps occur simultaneously during spin-coating, the spin-SILAR method does not require rinsing steps between the alternating ion adsorption steps, making the growth process simpler and faster than conventional SILAR methods based on dip-coating (dip-SILAR). The ZnO/CdS core/shell nanowire arrays prepared by spin-SILAR had a denser and more uniform structure than those prepared by dip-SILAR, resulting in the higher power efficiency for use in photoelectrochemical cells.

  6. The fabrication of highly uniform ZnO/CdS core/shell structures using a spin-coating-based successive ion layer adsorption and reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Joo, Jinmyoung; Kim, Darae; Yun, Dong-Jin; Jun, Hwichan; Rhee, Shi-Woo; Lee, Jae Sung; Yong, Kijung; Jeon, Sangmin [System on Chip Chemical Process Research, Department of Chemical Engineering, Pohang University of Science and Technology (POSTECH), Pohang (Korea, Republic of); Kim, Sungjee, E-mail: jeons@postech.ac.kr [Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang (Korea, Republic of)

    2010-08-13

    We developed a successive ion layer adsorption and reaction method based on spin-coating (spin-SILAR) and applied the method to the fabrication of highly uniform ZnO/CdS core/shell nanowire arrays. Because the adsorption, reaction, and rinsing steps occur simultaneously during spin-coating, the spin-SILAR method does not require rinsing steps between the alternating ion adsorption steps, making the growth process simpler and faster than conventional SILAR methods based on dip-coating (dip-SILAR). The ZnO/CdS core/shell nanowire arrays prepared by spin-SILAR had a denser and more uniform structure than those prepared by dip-SILAR, resulting in the higher power efficiency for use in photoelectrochemical cells.

  7. Quantum bootstrapping via compressed quantum Hamiltonian learning

    International Nuclear Information System (INIS)

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

    2015-01-01

    A major problem facing the development of quantum computers or large scale quantum simulators is that general methods for characterizing and controlling are intractable. We provide a new approach to this problem that uses small quantum simulators to efficiently characterize and learn control models for larger devices. Our protocol achieves this by using Bayesian inference in concert with Lieb–Robinson bounds and interactive quantum learning methods to achieve compressed simulations for characterization. We also show that the Lieb–Robinson velocity is epistemic for our protocol, meaning that information propagates at a rate that depends on the uncertainty in the system Hamiltonian. We illustrate the efficiency of our bootstrapping protocol by showing numerically that an 8 qubit Ising model simulator can be used to calibrate and control a 50 qubit Ising simulator while using only about 750 kilobits of experimental data. Finally, we provide upper bounds for the Fisher information that show that the number of experiments needed to characterize a system rapidly diverges as the duration of the experiments used in the characterization shrinks, which motivates the use of methods such as ours that do not require short evolution times. (fast track communication)

  8. Generalized Hubbard Hamiltonian: renormalization group approach

    International Nuclear Information System (INIS)

    Cannas, S.A.; Tamarit, F.A.; Tsallis, C.

    1991-01-01

    We study a generalized Hubbard Hamiltonian which is closed within the framework of a Quantum Real Space Renormalization Group, which replaces the d-dimensional hypercubic lattice by a diamond-like lattice. The phase diagram of the generalized Hubbard Hamiltonian is analyzed for the half-filled band case in d = 2 and d = 3. Some evidence for superconductivity is presented. (author). 44 refs., 12 figs., 2 tabs

  9. Effective Hamiltonians, two level systems, and generalized Maxwell-Bloch equations

    International Nuclear Information System (INIS)

    Sczaniecki, L.

    1981-02-01

    A new method is proposed involving a canonical transformation leading to the non-secular part of time-independent perturbation calculus. The method is used to derive expressions for effective Shen-Walls Hamiltonians which, taken in the two-level approximation and on the inclusion of non-Hamiltonian terms into the dynamics of the system, lead to generalized Maxwell-Bloch equations. The rotating wave approximation is written anew within the framework of our formalism. (author)

  10. Gauged Hamiltonians for free particle on surfaces in configuration and phase spaces

    Directory of Open Access Journals (Sweden)

    M Dehghani

    2016-06-01

    Full Text Available We present a method to gauge second class systems consisted of two constraints in the chain structure. In this method we added a momentum counterpart of Wess Zumino coordinate to primary constraint and used the first class condition to find a new and gauged Hamiltonian. Primary constraints were assumed as identities in configuration and phase space and we tried to find general Hamiltonians

  11. Effective low-energy Hamiltonians for interacting nanostructures

    Science.gov (United States)

    Kinza, Michael; Ortloff, Jutta; Honerkamp, Carsten

    2010-10-01

    We present a functional renormalization group (fRG) treatment of trigonal graphene nanodisks and composites thereof, modeled by finite-size Hubbard-like Hamiltonians with honeycomb lattice structure. At half filling, the noninteracting spectrum of these structures contains a certain number of half-filled states at the Fermi level. For the case of trigonal nanodisks, including interactions between these degenerate states was argued to lead to a large ground state spin with potential spintronics applications [M. Ezawa, Eur. Phys. J. B 67, 543 (2009)10.1140/epjb/e2009-00041-7]. Here we perform a systematic fRG flow where the excited single-particle states are integrated out with a decreasing energy cutoff, yielding a renormalized low-energy Hamiltonian for the zero-energy states that includes effects of the excited levels. The numerical implementation corroborates the results obtained with a simpler Hartree-Fock treatment of the interaction effects within the zero-energy states only. In particular, for trigonal nanodisks the degeneracy of the one-particle-states with zero energy turns out to be protected against influences of the higher levels. As an explanation, we give a general argument that within this fRG scheme the zero-energy degeneracy remains unsplit under quite general conditions and for any size of the trigonal nanodisk. We also discuss a second class of nanostructures, bow-tie-shaped systems, where the zero-energy states are not protected.

  12. Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics

    International Nuclear Information System (INIS)

    Hoover, W.G.

    1980-01-01

    Although Hamiltonians of various kinds have previously been used to derive Green-Kubo relations for the transport coefficients, the particular choice described is uniquely related to thermodynamics. This nonequilibrium Hamiltonian formulation of fluid flow provides pedagogically simple routes to nonequilibrium fluxes and distribution functions, to theoretical understanding of long-time effects, and to new numerical methods for simulating systems far from equilibrium. The same methods are now being applied to solid-phase problems. At the relatively high frequencies used in the viscous fluid calculations described, solids typically behave elastically. Lower frequencies lead to the formation of dislocations and other defects, making it possible to study plastic flow. A property of the nonequilibrium equations of motion which might be profitably explored is their effective irreversibility. Because only a few particles are necessary to generate irreversible behavior, simulations using adiabatic deformations of the kind described here could perhaps elucidate the instability in the equations of motion responsible for irreversibility

  13. Entangled trajectories Hamiltonian dynamics for treating quantum nuclear effects

    Science.gov (United States)

    Smith, Brendan; Akimov, Alexey V.

    2018-04-01

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

  14. Thermal hysteresis kinetic effects of spin crossover nanoparticulated systems studied by FORC diagram method on an Ising-like model

    International Nuclear Information System (INIS)

    Atitoaie, Alexandru; Stoleriu, Laurentiu; Tanasa, Radu; Stancu, Alexandru; Enachescu, Cristian

    2016-01-01

    The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.

  15. Thermal hysteresis kinetic effects of spin crossover nanoparticulated systems studied by FORC diagram method on an Ising-like model

    Energy Technology Data Exchange (ETDEWEB)

    Atitoaie, Alexandru, E-mail: atitoaie@phys-iasi.ro [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); National Institute of Research and Development for Technical Physics, Iasi (Romania); Stoleriu, Laurentiu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Tanasa, Radu [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania); Department of Engineering, University of Cambridge, CB2 1PZ Cambridge (United Kingdom); Stancu, Alexandru; Enachescu, Cristian [Department. of Physics, “Alexandru Ioan Cuza” University, 700506 Iasi (Romania)

    2016-04-01

    The scientific community is manifesting a high research interest on spin crossover compounds and their recently synthesized nanoparticles, due to their various appealing properties, such as the bistability between a diamagnetic low spin state and a paramagnetic high spin state (HS), inter-switchable by temperature or pressure changes, light irradiation or magnetic field. The utility of these compounds showing hysteresis covers a broad area of applications, from the development of more efficient designs of temperature and pressure sensors to automotive and aeronautic industries and even a new type of molecular actuators. We are proposing in this work a study regarding the kinetic effects and the distribution of reversible and irreversible components on the thermal hysteresis of spin crossover nanoparticulated systems. We are considering here tridimensional systems with different sizes and also systems of nanoparticles with a Gaussian size distribution. The correlations between the kinetics of the thermal hysteresis, the distributions of sizes and intermolecular interactions and the transition temperature distributions were established by using the FORC (First Order Reversal Curves) method using a Monte Carlo technique within an Ising-like system.

  16. Sign rules for anisotropic quantum spin systems

    International Nuclear Information System (INIS)

    Bishop, R. F.; Farnell, D. J. J.; Parkinson, J. B.

    2000-01-01

    We present exact ''sign rules'' for various spin-s anisotropic spin-lattice models. It is shown that, after a simple transformation which utilizes these sign rules, the ground-state wave function of the transformed Hamiltonian is positive definite. Using these results exact statements for various expectation values of off-diagonal operators are presented, and transitions in the behavior of these expectation values are observed at particular values of the anisotropy. Furthermore, the importance of such sign rules in variational calculations and quantum Monte Carlo calculations is emphasized. This is illustrated by a simple variational treatment of a one-dimensional anisotropic spin model

  17. The Hamiltonian structures of the super KP hierarchy associated with an even parity superlax operator

    International Nuclear Information System (INIS)

    Barcelos Neto, J.; Ghosh, S.; Roy, S.

    1993-07-01

    We consider the even parity superLax operator for the supersymmetric KP hierarchy of the form L = D 2 + Σ ∞ i=0 u i-2 D -i+1 and obtain the two Hamiltonian structures following the standard method of Gelfand and Dikii. We observe that the first Hamiltonian structure is local and linear whereas the second Hamiltonian structure is non-local and nonlinear among the superfields appearing in the Lax operator. We discuss briefly on their connections with the super ω ∞ algebra. (author). 23 refs

  18. Quadratic time dependent Hamiltonians and separation of variables

    International Nuclear Information System (INIS)

    Anzaldo-Meneses, A.

    2017-01-01

    Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green’s function is obtained and a comparison with the classical Hamilton–Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei–Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü–Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems. - Highlights: • Exact unitary transformation reducing time dependent quadratic quantum Hamiltonian to zero. • New separation of variables method and simultaneous uncoupling of modes. • Explicit examples of transformations for one to four dimensional problems. • New general evolution equation for quadratic form in the action, respectively Green’s function.

  19. Determination of the amounts of C, CH, CH/sub 2/ and CH/sub 3/ fragments by the spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-01-01

    A new method is presented for the quantitative determination of primary, secondary, tertiary and quarternary carbon atoms in soluble coal products. The method is based on pulsed spin echo of /sup 13/C nuclear magnetic resonance.

  20. The spin relaxation of nitrogen donors in 6H SiC crystals as studied by the electron spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Savchenko, D., E-mail: dariyasavchenko@gmail.com [Institute of Physics of the Czech Academy of Sciences, Prague 182 21 (Czech Republic); National Technical University of Ukraine “Kyiv Polytechnic Institute,” Kyiv 03056 (Ukraine); Shanina, B.; Kalabukhova, E. [V.E. Lashkaryov Institute of Semiconductor Physics, NASU, Kyiv 03028 (Ukraine); Pöppl, A. [Institute of Experimental Physics II, Leipzig University, Leipzig D-04103 (Germany); Lančok, J. [Institute of Physics of the Czech Academy of Sciences, Prague 182 21 (Czech Republic); Mokhov, E. [A.F. Ioffe Physical Technical Institute, RAS, St. Petersburg 194021 (Russian Federation); Saint-Petersburg National Research University of Information Technologies, Mechanics and Optics, St. Petersburg 19710 (Russian Federation)

    2016-04-07

    We present the detailed study of the spin kinetics of the nitrogen (N) donor electrons in 6H SiC wafers grown by the Lely method and by the sublimation “sandwich method” (SSM) with a donor concentration of about 10{sup 17 }cm{sup −3} at T = 10–40 K. The donor electrons of the N donors substituting quasi-cubic “k1” and “k2” sites (N{sub k1,k2}) in both types of the samples revealed the similar temperature dependence of the spin-lattice relaxation rate (T{sub 1}{sup −1}), which was described by the direct one-phonon and two-phonon processes induced by the acoustic phonons proportional to T and to T{sup 9}, respectively. The character of the temperature dependence of the T{sub 1}{sup −1} for the donor electrons of N substituting hexagonal (“h”) site (N{sub h}) in both types of 6H SiC samples indicates that the donor electrons relax through the fast-relaxing centers by means of the cross-relaxation process. The observed enhancement of the phase memory relaxation rate (T{sub m}{sup −1}) with the temperature increase for the N{sub h} donors in both types of the samples, as well as for the N{sub k1,k2} donors in Lely grown 6H SiC, was explained by the growth of the free electron concentration with the temperature increase and their exchange scattering at the N donor centers. The observed significant shortening of the phase memory relaxation time T{sub m} for the N{sub k1,k2} donors in the SSM grown sample with the temperature lowering is caused by hopping motion of the electrons between the occupied and unoccupied states of the N donors at N{sub h} and N{sub k1,k2} sites. The impact of the N donor pairs, triads, distant donor pairs formed in n-type 6H SiC wafers on the spin relaxation times was discussed.

  1. Fermion Bag Approach to Lattice Hamiltonian Field Theories

    Science.gov (United States)

    Huffman, Emilie

    2018-03-01

    Using a model in the Gross-Neveu Ising universality class, we show how the fermion bag idea can be applied to develop algorithms to Hamiltonian lattice field theories. We argue that fermion world lines suggest an alternative method to the traditional techniques for calculating ratios of determinants in a stable manner. We show the power behind these ideas by extracting the physics of the model on large lattices.

  2. Towards a nonperturbative calculation of weak Hamiltonian Wilson coefficients

    Science.gov (United States)

    Bruno, Mattia; Lehner, Christoph; Soni, Amarjit; Rbc; Ukqcd Collaborations

    2018-04-01

    We propose a method to compute the Wilson coefficients of the weak effective Hamiltonian to all orders in the strong coupling constant using Lattice QCD simulations. We perform our calculations adopting an unphysically light weak boson mass of around 2 GeV. We demonstrate that systematic errors for the Wilson coefficients C1 and C2 , related to the current-current four-quark operators, can be controlled and present a path towards precise determinations in subsequent works.

  3. Comparing model-based and model-free analysis methods for QUASAR arterial spin labeling perfusion quantification.

    Science.gov (United States)

    Chappell, Michael A; Woolrich, Mark W; Petersen, Esben T; Golay, Xavier; Payne, Stephen J

    2013-05-01

    Amongst the various implementations of arterial spin labeling MRI methods for quantifying cerebral perfusion, the QUASAR method is unique. By using a combination of labeling with and without flow suppression gradients, the QUASAR method offers the separation of macrovascular and tissue signals. This permits local arterial input functions to be defined and "model-free" analysis, using numerical deconvolution, to be used. However, it remains unclear whether arterial spin labeling data are best treated using model-free or model-based analysis. This work provides a critical comparison of these two approaches for QUASAR arterial spin labeling in the healthy brain. An existing two-component (arterial and tissue) model was extended to the mixed flow suppression scheme of QUASAR to provide an optimal model-based analysis. The model-based analysis was extended to incorporate dispersion of the labeled bolus, generally regarded as the major source of discrepancy between the two analysis approaches. Model-free and model-based analyses were compared for perfusion quantification including absolute measurements, uncertainty estimation, and spatial variation in cerebral blood flow estimates. Major sources of discrepancies between model-free and model-based analysis were attributed to the effects of dispersion and the degree to which the two methods can separate macrovascular and tissue signal. Copyright © 2012 Wiley Periodicals, Inc.

  4. Rashba and Dresselhaus spin-orbit interactions effects on electronic features of a two dimensional elliptic quantum dot

    Science.gov (United States)

    Mokhtari, P.; Rezaei, G.; Zamani, A.

    2017-06-01

    In this paper, electronic structure of a two dimensional elliptic quantum dot under the influence of external electric and magnetic fields are studied in the presence of Rashba and Dresselhaus spin-orbit interactions. This investigation is done computationally and to do this, at first, the effective Hamiltonian of the system by considering the spin-orbit coupling is demonstrated in the presence of applied electric and magnetic fields and afterwards the Schrödinger equation is solved using the finite difference approach. Utilizing finite element method, eigenvalues and eigenstates of the system are calculated and the effect of the external fields, the size of the dot as well as the strength of Rashba spin-orbit interaction are studied. Our results indicate that, Spin-orbit interactions, external fields and the dot size have a great influence on the electronic structure of the system.

  5. Detection and characterisation of radicals using electron paramagnetic resonance (EPR) spin trapping and related methods

    DEFF Research Database (Denmark)

    Davies, Michael Jonathan

    2016-01-01

    Electron paramagnetic resonance (EPR) spectroscopy (also known as electron spin resonance, ESR, or electron magnetic resonance, EMR, spectroscopy) is often described as the “gold standard” for the detection and characterisation of radicals in chemical, biological and medical systems. The article...... reviews aspects of EPR spectroscopy and discusses how this methodology and related techniques can be used to obtain useful information from biological systems. Consideration is given to the direct detection of radicals, the use of spin traps and the detection of nitric oxide, and the advantages...

  6. Influence of Heat Treatment on the Morphologies of Copper Nanoparticles Based Films by a Spin Coating Method

    Directory of Open Access Journals (Sweden)

    Wei Liu

    2017-01-01

    Full Text Available We have investigated the influence of heat treatment on the morphologies of copper nanoparticles based films on glass slides by a spin coating method. The experiments show that heat treatment can modify the sizes and morphologies of copper nanoparticles based films on glass slides. We suggest that through changing the parameters of heat treatment process may be helpful to vary the scattering and absorbing intensity of copper nanoparticles when used in energy harvesting/conversion and optical devices.

  7. Spin lattice coupling in multiferroic hexagonal YMnO3

    Indian Academy of Sciences (India)

    phonon and spin waves involving deviations out of the spiral magnetic plane. This ... collimations were used to fully benefit from the focusing effects. ... following spin Hamiltonian based on the Heisenberg model H = JSiSj − hSini +. DSz i Sz.

  8. Hamiltonian term for a uniform dc electric field under the adiabatic approximation

    Science.gov (United States)

    Siu, Zhuo Bin; Jalil, Mansoor B. A.; Tan, Seng Ghee

    2018-02-01

    In this work, we show that the disorder-free Kubo formula for the nonequilibrium value of an observable due to a dc electric field, represented by Exx ̂ in the Hamiltonian, can be interpreted as the standard time-independent theory response of the observable due to a time- and position-independent perturbation HMF. We derive the explicit expression for HMF and show that it originates from the adiabatic approximation to Kubo formula and the time-independent perturbation theory, as well as the Sundaram-Niu wave-packet formalism, we show that HMF reproduces the effect of the E field, i.e., Exx ̂ , up to the first order. This replacement suggests the emergence of a spin current term that is not captured by the standard Kubo formula spin current calculation. We illustrate this via the exemplary spin current for the heavy-hole spin-3/2 Luttinger system.

  9. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    Energy Technology Data Exchange (ETDEWEB)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Müller, Thomas, E-mail: th.mueller@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich (Germany); Plasser, Felix [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany); Lischka, Hans [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States)

    2014-08-21

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.

  10. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    International Nuclear Information System (INIS)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia; Müller, Thomas; Plasser, Felix; Lischka, Hans

    2014-01-01

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations

  11. Spin temperature concept verified by optical magnetometry of nuclear spins

    Science.gov (United States)

    Vladimirova, M.; Cronenberger, S.; Scalbert, D.; Ryzhov, I. I.; Zapasskii, V. S.; Kozlov, G. G.; Lemaître, A.; Kavokin, K. V.

    2018-01-01

    We develop a method of nonperturbative optical control over adiabatic remagnetization of the nuclear spin system and apply it to verify the spin temperature concept in GaAs microcavities. The nuclear spin system is shown to exactly follow the predictions of the spin temperature theory, despite the quadrupole interaction that was earlier reported to disrupt nuclear spin thermalization. These findings open a way for the deep cooling of nuclear spins in semiconductor structures, with the prospect of realizing nuclear spin-ordered states for high-fidelity spin-photon interfaces.

  12. Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(0 0 1) surface: First application of approximate spin projection (AP) method to plane wave basis

    Science.gov (United States)

    Tada, Kohei; Koga, Hiroaki; Okumura, Mitsutaka; Tanaka, Shingo

    2018-06-01

    Spin contamination error in the total energy of the Au2/MgO system was estimated using the density functional theory/plane-wave scheme and approximate spin projection methods. This is the first investigation in which the errors in chemical phenomena on a periodic surface are estimated. The spin contamination error of the system was 0.06 eV. This value is smaller than that of the dissociation of Au2 in the gas phase (0.10 eV). This is because of the destabilization of the singlet spin state due to the weakening of the Au-Au interaction caused by the Au-MgO interaction.

  13. Newton algorithm for Hamiltonian characterization in quantum control

    International Nuclear Information System (INIS)

    Ndong, M; Sugny, D; Salomon, J

    2014-01-01

    We propose a Newton algorithm to characterize the Hamiltonian of a quantum system interacting with a given laser field. The algorithm is based on the assumption that the evolution operator of the system is perfectly known at a fixed time. The computational scheme uses the Crank–Nicholson approximation to explicitly determine the derivatives of the propagator with respect to the Hamiltonians of the system. In order to globalize this algorithm, we use a continuation method that improves its convergence properties. This technique is applied to a two-level quantum system and to a molecular one with a double-well potential. The numerical tests show that accurate estimates of the unknown parameters are obtained in some cases. We discuss the numerical limits of the algorithm in terms of the basin of convergence and the non-uniqueness of the solution. (paper)

  14. arXiv Lightcone Effective Hamiltonians and RG Flows

    CERN Document Server

    Fitzpatrick, A. Liam; Katz, Emanuel; Vitale, Lorenzo G.; Walters, Matthew T.

    We present a prescription for an effective lightcone (LC) Hamiltonian that includes the effects of zero modes, focusing on the case of Conformal Field Theories (CFTs) deformed by relevant operators. We show how the prescription resolves a number of issues with LC quantization, including i) the apparent non-renormalization of the vacuum, ii) discrepancies in critical values of bare parameters in equal-time vs LC quantization, and iii) an inconsistency at large N in CFTs with simple AdS duals. We describe how LC quantization can drastically simplify Hamiltonian truncation methods applied to some large N CFTs, and discuss how the prescription identifies theories where these simplifications occur. We demonstrate and check our prescription in a number of examples.

  15. Witnessing eigenstates for quantum simulation of Hamiltonian spectra

    Science.gov (United States)

    Santagati, Raffaele; Wang, Jianwei; Gentile, Antonio A.; Paesani, Stefano; Wiebe, Nathan; McClean, Jarrod R.; Morley-Short, Sam; Shadbolt, Peter J.; Bonneau, Damien; Silverstone, Joshua W.; Tew, David P.; Zhou, Xiaoqi; O’Brien, Jeremy L.; Thompson, Mark G.

    2018-01-01

    The efficient calculation of Hamiltonian spectra, a problem often intractable on classical machines, can find application in many fields, from physics to chemistry. We introduce the concept of an “eigenstate witness” and, through it, provide a new quantum approach that combines variational methods and phase estimation to approximate eigenvalues for both ground and excited states. This protocol is experimentally verified on a programmable silicon quantum photonic chip, a mass-manufacturable platform, which embeds entangled state generation, arbitrary controlled unitary operations, and projective measurements. Both ground and excited states are experimentally found with fidelities >99%, and their eigenvalues are estimated with 32 bits of precision. We also investigate and discuss the scalability of the approach and study its performance through numerical simulations of more complex Hamiltonians. This result shows promising progress toward quantum chemistry on quantum computers. PMID:29387796

  16. Fabrication of Nanoplasmonic Arrays with Square Symmetry Using Spin-Coating Method

    Czech Academy of Sciences Publication Activity Database

    Friedl, Alexandra; Adam, Pavel; Leshkov, Sergey; Homola, Jiří

    2011-01-01

    Roč. 11, č. 3 (2011), s. 2528-2532 ISSN 1533-4880 R&D Projects: GA AV ČR KAN200670701; GA MŠk OC09058 Institutional research plan: CEZ:AV0Z20670512 Keywords : ordered nanoparticles * spin-coating * lithography Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.563, year: 2011

  17. Spin-transfer torques in antiferromagnetic textures: efficiency and quantification method

    Czech Academy of Sciences Publication Activity Database

    Yamane, Y.; Ieda, J.; Sinova, Jairo

    2016-01-01

    Roč. 94, č. 5 (2016), 1-8, č. článku 054409. ISSN 2469-9950 R&D Projects: GA ČR GB14-37427G Institutional support: RVO:68378271 Keywords : spin-transfer torques * antiferromagnets Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 3.836, year: 2016

  18. Relativistic and separable classical hamiltonian particle dynamics

    International Nuclear Information System (INIS)

    Sazdjian, H.

    1981-01-01

    We show within the Hamiltonian formalism the existence of classical relativistic mechanics of N scalar particles interacting at a distance which satisfies the requirements of Poincare invariance, separability, world-line invariance and Einstein causality. The line of approach which is adopted here uses the methods of the theory of systems with constraints applied to manifestly covariant systems of particles. The study is limited to the case of scalar interactions remaining weak in the whole phase space and vanishing at large space-like separation distances of the particles. Poincare invariance requires the inclusion of many-body, up to N-body, potentials. Separability requires the use of individual or two-body variables and the construction of the total interaction from basic two-body interactions. Position variables of the particles are constructed in terms of the canonical variables of the theory according to the world-line invariance condition and the subsidiary conditions of the non-relativistic limit and separability. Positivity constraints on the interaction masses squared of the particles ensure that the velocities of the latter remain always smaller than the velocity of light

  19. Harmony of spinning conformal blocks

    Energy Technology Data Exchange (ETDEWEB)

    Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group; Sobko, Evgeny [Stockholm Univ. (Sweden); Nordita, Stockholm (Sweden); Isachenkov, Mikhail [Weizmann Institute of Science, Rehovoth (Israel). Dept. of Particle Physics and Astrophysics

    2016-12-07

    Conformal blocks for correlation functions of tensor operators play an increasingly important role for the conformal bootstrap programme. We develop a universal approach to such spinning blocks through the harmonic analysis of certain bundles over a coset of the conformal group. The resulting Casimir equations are given by a matrix version of the Calogero-Sutherland Hamiltonian that describes the scattering of interacting spinning particles in a 1-dimensional external potential. The approach is illustrated in several examples including fermionic seed blocks in 3D CFT where they take a very simple form.

  20. Harmony of spinning conformal blocks

    Energy Technology Data Exchange (ETDEWEB)

    Schomerus, Volker [DESY Hamburg, Theory Group,Notkestraße 85, 22607 Hamburg (Germany); Sobko, Evgeny [Nordita and Stockholm University,Roslagstullsbacken 23, SE-106 91 Stockholm (Sweden); Isachenkov, Mikhail [Department of Particle Physics and Astrophysics, Weizmann Institute of Science,Rehovot 7610001 (Israel)

    2017-03-15

    Conformal blocks for correlation functions of tensor operators play an increasingly important role for the conformal bootstrap programme. We develop a universal approach to such spinning blocks through the harmonic analysis of certain bundles over a coset of the conformal group. The resulting Casimir equations are given by a matrix version of the Calogero-Sutherland Hamiltonian that describes the scattering of interacting spinning particles in a 1-dimensional external potential. The approach is illustrated in several examples including fermionic seed blocks in 3D CFT where they take a very simple form.

  1. Superradiance, disorder, and the non-Hermitian Hamiltonian in open quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Celardo, G. L.; Biella, A.; Giusteri, G. G.; Mattiotti, F. [Dipartimento di Matematica e Fisica and Interdisciplinary Laboratories for Advanced Materials Physics, Università Cattolica, via Musei 41, 25121 Brescia (Italy); Zhang, Y.; Kaplan, L. [Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118 (United States)

    2014-10-15

    We first briefly review the non-Hermitian effective Hamiltonian approach to open quantum systems and the associated phenomenon of superradiance. We next discuss the superradiance crossover in the presence of disorder and the relationship between superradiance and the localization transition. Finally, we investigate the regime of validity of the energy-independent effective Hamiltonian approximation and show that the results obtained by these methods are applicable to realistic physical systems.

  2. Weakly nonlinear dynamics in noncanonical Hamiltonian systems with applications to fluids and plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, P.J., E-mail: morrison@physics.utexas.edu [Department of Physics and Institute for Fusion Studies, University of Texas, Austin (United States); Vanneste, J. [School of Mathematics and Maxwell Institute for Mathematical Sciences, University of Edinburgh (United Kingdom)

    2016-05-15

    A method, called beatification, is presented for rapidly extracting weakly nonlinear Hamiltonian systems that describe the dynamics near equilibria of systems possessing Hamiltonian form in terms of noncanonical Poisson brackets. The procedure applies to systems like fluids and plasmas in terms of Eulerian variables that have such noncanonical Poisson brackets, i.e., brackets with nonstandard and possibly degenerate form. A collection of examples of both finite and infinite dimensions is presented.

  3. The iteration formula of the Maslov-type index theory with applications to nonlinear Hamiltonian systems

    International Nuclear Information System (INIS)

    Di Dong; Yiming Long.

    1994-10-01

    In this paper, the iteration formula of the Maslov-type index theory for linear Hamiltonian systems with continuous periodic and symmetric coefficients is established. This formula yields a new method to determine the minimality of the period for solutions of nonlinear autonomous Hamiltonian systems via their Maslov-type indices. Applications of this formula give new results on the existence of periodic solutions with prescribed minimal period for such systems. (author). 40 refs

  4. Comments on a direct approach to finding exact invariants for one-dimensional time-dependent classical hamiltonian

    International Nuclear Information System (INIS)

    Castro Moreira, I. de.

    1983-01-01

    A method introduced by Lewis and Leach for the obtention of exact invariants of the form I = Σ p sup(n) F sub(n) (q,t) for hamiltonian systems, is generalized and applied directly on the equations of motion. It gives us a general procedure to generates exact invariants also for non hamiltonian systems. (Author) [pt

  5. Magnetoanisotropic spin-triplet Andreev reflection in ferromagnet-Ising superconductor junctions

    Science.gov (United States)

    Lv, Peng; Zhou, Yan-Feng; Yang, Ning-Xuan; Sun, Qing-Feng

    2018-04-01

    We theoretically study the electronic transport through a ferromagnet-Ising superconductor junction. A tight-binding Hamiltonian describing the Ising superconductor is presented. Then by combining the nonequilibrium Green's function method, the expressions of Andreev reflection coefficient and conductance are obtained. A strong magnetoanisotropic spin-triplet Andreev reflection is shown, and the magnetoanisotropic period is π instead of 2 π as in the conventional magnetoanisotropic system. We demonstrate a significant increase of the spin-triplet Andreev reflection for the single-band Ising superconductor. Furthermore, the dependence of the Andreev reflection on the incident energy and incident angle are also investigated. A complete Andreev reflection can occur when the incident energy is equal to the superconducting gap, regardless of the Fermi energy (spin polarization) of the ferromagnet. For the suitable oblique incidence, the spin-triplet Andreev reflection can be strongly enhanced. In addition, the conductance spectroscopies of both zero bias and finite bias are studied, and the influence of gate voltage, exchange energy, and spin-orbit coupling on the conductance spectroscopy are discussed in detail. The conductance exhibits a strong magnetoanisotropy with period π as the Andreev reflection coefficient. When the magnetization direction is parallel to the junction plane, a large conductance peak always emerges at the superconducting gap. This work offers a comprehensive and systematic study of the spin-triplet Andreev reflection and has an underlying application of π -periodic spin valve in spintronics.

  6. One dimensionalization in the spin-1 Heisenberg model on the anisotropic triangular lattice

    Science.gov (United States)

    Gonzalez, M. G.; Ghioldi, E. A.; Gazza, C. J.; Manuel, L. O.; Trumper, A. E.

    2017-11-01

    We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-1 Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane chains (J'≪J ) and the isotropic triangular lattice (J'=J ). We use the density-matrix renormalization group (DMRG) and Schwinger boson theory performed at the Gaussian correction level above the saddle-point solution. Our DMRG results show an abrupt transition between decoupled spin chains and the spirally ordered regime at (J'/J) c˜0.42 , signaled by the sudden closing of the spin gap. Coming from the magnetically ordered side, the computation of the spin stiffness within Schwinger boson theory predicts the instability of the spiral magnetic order toward a magnetically disordered phase with one-dimensional features at (J'/J) c˜0.43 . The agreement of these complementary methods, along with the strong difference found between the intra- and the interchain DMRG short spin-spin correlations for sufficiently large values of the interchain coupling, suggests that the interplay between the quantum fluctuations and the dimensional crossover effects gives rise to the one-dimensionalization phenomenon in this frustrated spin-1 Hamiltonian.

  7. Don't spin the pen: two alternative methods for second-stage sampling in urban cluster surveys

    Directory of Open Access Journals (Sweden)

    Rose Angela MC

    2007-06-01

    Full Text Available Abstract In two-stage cluster surveys, the traditional method used in second-stage sampling (in which the first household in a cluster is selected is time-consuming and may result in biased estimates of the indicator of interest. Firstly, a random direction from the center of the cluster is selected, usually by spinning a pen. The houses along that direction are then counted out to the boundary of the cluster, and one is then selected at random to be the first household surveyed. This process favors households towards the center of the cluster, but it could easily be improved. During a recent meningitis vaccination coverage survey in Maradi, Niger, we compared this method of first household selection to two alternatives in urban zones: 1 using a superimposed grid on the map of the cluster area and randomly selecting an intersection; and 2 drawing the perimeter of the cluster area using a Global Positioning System (GPS and randomly selecting one point within the perimeter. Although we only compared a limited number of clusters using each method, we found the sampling grid method to be the fastest and easiest for field survey teams, although it does require a map of the area. Selecting a random GPS point was also found to be a good method, once adequate training can be provided. Spinning the pen and counting households to the boundary was the most complicated and time-consuming. The two methods tested here represent simpler, quicker and potentially more robust alternatives to spinning the pen for cluster surveys in urban areas. However, in rural areas, these alternatives would favor initial household selection from lower density (or even potentially empty areas. Bearing in mind these limitations, as well as available resources and feasibility, investigators should choose the most appropriate method for their particular survey context.

  8. Dynamic nuclear spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Stuhrmann, H B [GKSS-Forschungszentrum Geesthacht GmbH (Germany)

    1996-11-01

    Polarized neutron scattering from dynamic polarized targets has been applied to various hydrogenous materials at different laboratories. In situ structures of macromolecular components have been determined by nuclear spin contrast variation with an unprecedented precision. The experiments of selective nuclear spin depolarisation not only opened a new dimension to structural studies but also revealed phenomena related to propagation of nuclear spin polarization and the interplay of nuclear polarisation with the electronic spin system. The observation of electron spin label dependent nuclear spin polarisation domains by NMR and polarized neutron scattering opens a way to generalize the method of nuclear spin contrast variation and most importantly it avoids precontrasting by specific deuteration. It also likely might tell us more about the mechanism of dynamic nuclear spin polarisation. (author) 4 figs., refs.

  9. Bounds on the entanglement entropy of droplet states in the XXZ spin chain

    Science.gov (United States)

    Beaud, V.; Warzel, S.

    2018-01-01

    We consider a class of one-dimensional quantum spin systems on the finite lattice Λ ⊂Z , related to the XXZ spin chain in its Ising phase. It includes in particular the so-called droplet Hamiltonian. The entanglement entropy of energetically low-lying states over a bipartition Λ = B ∪ Bc is investigated and proven to satisfy a logarithmic bound in terms of min{n, |B|, |Bc|}, where n denotes the maximal number of down spins in the considered state. Upon addition of any (positive) random potential, the bound becomes uniformly constant on average, thereby establishing an area law. The proof is based on spectral methods: a deterministic bound on the local (many-body integrated) density of states is derived from an energetically motivated Combes-Thomas estimate.

  10. Effective electric and magnetic polarizabilities of pointlike spin-1/2 particles

    OpenAIRE

    Silenko, A. J.

    2014-01-01

    Effective electric and magnetic polarizabilities of pointlike spin-1/2 particles possesing an anomalous magnetic moment are calculated with the transformation of an initial Hamiltonian to the Foldy-Wouthuysen representation. Polarizabilities of spin-1/2 and spin-1 particles are compared.

  11. Gravitational surface Hamiltonian and entropy quantization

    Directory of Open Access Journals (Sweden)

    Ashish Bakshi

    2017-02-01

    Full Text Available 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.

  12. Hamiltonian boundary term and quasilocal energy flux

    International Nuclear Information System (INIS)

    Chen, C.-M.; Nester, James M.; Tung, R.-S.

    2005-01-01

    The Hamiltonian for a gravitating region includes a boundary term which determines not only the quasilocal values but also, via the boundary variation principle, the boundary conditions. Using our covariant Hamiltonian formalism, we found four particular quasilocal energy-momentum boundary term expressions; each corresponds to a physically distinct and geometrically clear boundary condition. Here, from a consideration of the asymptotics, we show how a fundamental Hamiltonian identity naturally leads to the associated quasilocal energy flux expressions. For electromagnetism one of the four is distinguished: the only one which is gauge invariant; it gives the familiar energy density and Poynting flux. For Einstein's general relativity two different boundary condition choices correspond to quasilocal expressions which asymptotically give the ADM energy, the Trautman-Bondi energy and, moreover, an associated energy flux (both outgoing and incoming). Again there is a distinguished expression: the one which is covariant

  13. Extrinsic spin Hall effect in graphene

    Science.gov (United States)

    Rappoport, Tatiana

    The intrinsic spin-orbit coupling in graphene is extremely weak, making it a promising spin conductor for spintronic devices. In addition, many applications also require the generation of spin currents in graphene. Theoretical predictions and recent experimental results suggest one can engineer the spin Hall effect in graphene by greatly enhancing the spin-orbit coupling in the vicinity of an impurity. The extrinsic spin Hall effect then results from the spin-dependent skew scattering of electrons by impurities in the presence of spin-orbit interaction. This effect can be used to efficiently convert charge currents into spin-polarized currents. I will discuss recent experimental results on spin Hall effect in graphene decorated with adatoms and metallic cluster and show that a large spin Hall effect can appear due to skew scattering. While this spin-orbit coupling is small if compared with what it is found in metals, the effect is strongly enhanced in the presence of resonant scattering, giving rise to robust spin Hall angles. I will present our single impurity scattering calculations done with exact partial-wave expansions and complement the analysis with numerical results from a novel real-space implementation of the Kubo formalism for tight-binding Hamiltonians. The author acknowledges the Brazilian agencies CNPq, CAPES, FAPERJ and INCT de Nanoestruturas de Carbono for financial support.

  14. Quantum control mechanism analysis through field based Hamiltonian encoding

    International Nuclear Information System (INIS)

    Mitra, Abhra; Rabitz, Herschel

    2006-01-01

    Optimal control of quantum dynamics in the laboratory is proving to be increasingly successful. The control fields can be complex, and the mechanisms by which they operate have often remained obscure. Hamiltonian encoding (HE) has been proposed as a method for understanding mechanisms in quantum dynamics. In this context mechanism is defined in terms of the dominant quantum pathways leading to the final state of the controlled system. HE operates by encoding a special modulation into the Hamiltonian and decoding its signature in the dynamics to determine the dominant pathway amplitudes. Earlier work encoded the modulation directly into the Hamiltonian operators. This present work introduces the alternative scheme of field based HE, where the modulation is encoded into the control field and not directly into the Hamiltonian operators. This distinct form of modulation yields a new perspective on mechanism and is computationally faster than the earlier approach. Field based encoding is also an important step towards a laboratory based algorithm for HE as it is the only form of encoding that may be experimentally executed. HE is also extended to cover systems with noise and uncertainty and finally, a hierarchical algorithm is introduced to reveal mechanism in a stepwise fashion of ever increasing detail as desired. This new hierarchical algorithm is an improvement over earlier approaches to HE where the entire mechanism was determined in one stroke. The improvement comes from the use of less complex modulation schemes, which leads to fewer evaluations of Schroedinger's equation. A number of simulations are presented on simple systems to illustrate the new field based encoding technique for mechanism assessment

  15. The ferromagnetic-spin glass transition in PdMn alloys: symmetry breaking of ferromagnetism and spin glass studied by a multicanonical method.

    Science.gov (United States)

    Kato, Tomohiko; Saita, Takahiro

    2011-03-16

    The magnetism of Pd(1-x)Mn(x) is investigated theoretically. A localized spin model for Mn spins that interact with short-range antiferromagnetic interactions and long-range ferromagnetic interactions via itinerant d electrons is set up, with no adjustable parameters. A multicanonical Monte Carlo simulation, combined with a procedure of symmetry breaking, is employed to discriminate between the ferromagnetic and spin glass orders. The transition temperature and the low-temperature phase are determined from the temperature variation of the specific heat and the probability distributions of the ferromagnetic order parameter and the spin glass order parameter at different concentrations. The calculation results reveal that only the ferromagnetic phase exists at x glass phase exists at x > 0.04, and that the two phases coexist at intermediate concentrations. This result agrees semi-quantitatively with experimental results.

  16. Persistent spin helices in 2D electron systems

    Science.gov (United States)

    Kozulin, A. S.; Malyshev, A. I.; Konakov, A. A.

    2017-03-01

    We present a theoretical investigation of persistent spin helices in two-dimensional electron systems with spin-orbit coupling. For this purpose, we consider a single-particle effective mass Hamiltonian with a generalized linear-in- k spin-orbit coupling term corresponding to a quantum well grown in an arbitrary crystallographic direction, and derive the general condition for the formation of the persistent spin helix. This condition applied for the Hamiltonians describing quantum wells with different growth directions indicates the possibility of existence of the persistent spin helix in a wide class of 2D systems apart from the [001] model with equal Rashba and Dresselhaus spin-orbit coupling strengths and the [110] Dresselhaus model.

  17. Characterization of RNA from Exosomes and Other Extracellular Vesicles Isolated by a Novel Spin Column-Based Method

    Science.gov (United States)

    Enderle, Daniel; Spiel, Alexandra; Coticchia, Christine M.; Berghoff, Emily; Mueller, Romy; Schlumpberger, Martin; Sprenger-Haussels, Markus; Shaffer, Jonathan M.; Lader, Eric; Skog, Johan; Noerholm, Mikkel

    2015-01-01

    Exosomes and other extracellular vesicles (commonly referred to as EVs) have generated a lot of attention for their potential applications in both diagnostics and therapeutics. The contents of these vesicles are the subject of intense research, and the relatively recent discovery of RNA inside EVs has raised interest in the biological function of these RNAs as well as their potential as biomarkers for cancer and other diseases. Traditional ultracentrifugation-based protocols to isolate EVs are labor-intensive and subject to significant variability. Various attempts to develop methods with robust, reproducible performance have not yet been completely successful. Here, we report the development and characterization of a spin column-based method for the isolation of total RNA from EVs in serum and plasma. This method isolates highly pure RNA of equal or higher quantity compared to ultracentrifugation, with high specificity for vesicular over non-vesicular RNA. The spin columns have a capacity to handle up to 4 mL sample volume, enabling detection of low-abundance transcripts in serum and plasma. We conclude that the method is an improvement over traditional methods in providing a faster, more standardized way to achieve reliable high quality RNA preparations from EVs in biofluids such as serum and plasma. The first kit utilizing this new method has recently been made available by Qiagen as “exoRNeasy Serum/Plasma Maxi Kit”. PMID:26317354

  18. Bäcklund transformations and Hamiltonian flows

    International Nuclear Information System (INIS)

    Zullo, Federico

    2013-01-01

    In this work we show that, under certain conditions, parametric Bäcklund transformations for a finite dimensional integrable system can be interpreted as solutions to the equations of motion defined by an associated non-autonomous Hamiltonian. The two systems share the same constants of motion. This observation leads to the identification of the Hamiltonian interpolating the iteration of the discrete map defined by the transformations, which indeed in numerical applications can be considered a linear combination of the integrals appearing in the spectral curve of the Lax matrix. An example with the periodic Toda lattice is given. (paper)

  19. Convergence to equilibrium under a random Hamiltonian

    Science.gov (United States)

    Brandão, Fernando G. S. L.; Ćwikliński, Piotr; Horodecki, Michał; Horodecki, Paweł; Korbicz, Jarosław K.; Mozrzymas, Marek

    2012-09-01

    We analyze equilibration times of subsystems of a larger system under a random total Hamiltonian, in which the basis of the Hamiltonian is drawn from the Haar measure. We obtain that the time of equilibration is of the order of the inverse of the arithmetic average of the Bohr frequencies. To compute the average over a random basis, we compute the inverse of a matrix of overlaps of operators which permute four systems. We first obtain results on such a matrix for a representation of an arbitrary finite group and then apply it to the particular representation of the permutation group under consideration.

  20. Ostrogradski Hamiltonian approach for geodetic brane gravity

    International Nuclear Information System (INIS)

    Cordero, Ruben; Molgado, Alberto; Rojas, Efrain

    2010-01-01

    We present an alternative Hamiltonian description of a branelike universe immersed in a flat background spacetime. This model is named geodetic brane gravity. We set up the Regge-Teitelboim model to describe our Universe where such field theory is originally thought as a second order derivative theory. We refer to an Ostrogradski Hamiltonian formalism to prepare the system to its quantization. This approach comprize the manage of both first- and second-class constraints and the counting of degrees of freedom follows accordingly.

  1. A method that reveals the multi-level ultrametric tree hidden in p -spin-glass-like systems

    International Nuclear Information System (INIS)

    Baviera, R; Virasoro, M A

    2015-01-01

    In the study of disordered models like spin glasses the key object of interest is the rugged energy hypersurface defined in configuration space. The statistical mechanics calculation of the Gibbs–Boltzmann partition function gives the information necessary to understand the equilibrium behavior of the system as a function of the temperature but is not enough if we are interested in the more general aspects of the hypersurface: it does not give us, for instance, the different degrees of ruggedness at different scales. In the context of the replica symmetry breaking (RSB) approach we discuss here a rather simple extension that can provide a much more detailed picture. The attractiveness of the method relies on the fact that it is conceptually transparent and the additional calculations are rather straightforward. We think that this approach reveals an ultrametric organisation with many levels in models like p-spin glasses when we include saddle points. In this first paper we present detailed calculations for the spherical p-spin glass model where we discover that the corresponding decreasing Parisi function q(x) codes this hidden ultrametric organisation. (paper)

  2. Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

    Science.gov (United States)

    Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît

    2016-04-12

    A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method.

  3. Orbital angular momentum transfer and spin desalignment mechanisms in the deep inelastic collisions Ar+Bi and Ni+Pb using the sequential fission method

    International Nuclear Information System (INIS)

    Steckmeyer, J.C.

    1984-10-01

    Angular momentum transfer and spin dealignment mechanisms have been studied in the deep inelastic collisions Ar+Bi and Ni+Pb using the sequential fission method. This experimental technique consists to measure the angular distribution of the fission fragments of a heavy nucleus in coincidence with the reaction partner, and leads to a complete determination of the heavy nucleus spin distribution. High spin values are transferred to the heavy nucleus in the interaction and indicate that the dinuclear system has reached the rigid rotation limit. A theoretical model, taking into account the excitation of surface vibrations of the nuclei and the nucleon transfer between the two partners, is able to reproduce the high spin values measured in our experiments. The spin fluctuations are important, with values of the order of 15 to 20 h units. These fluctuations increase with the charge transfer from the projectile to the target and the total kinetic energy loss. The spin dealignment mechanisms act mainly in a plane approximately perpendicular to the heavy recoil direction in the laboratory system. These results are well described by a dynamical transport model based on the stochastic exchange of individual nucleons between the two nuclei during the interaction. The origin of the dealignment mechanisms in the spin transfer processes is then related to the statistical nature of the nucleon exchange. However other mechanisms can contribute to the spin dealignment as the surface vibrations, the nuclear deformations as well their relative orientations [fr

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

    NARCIS (Netherlands)

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

    2017-01-01

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

  5. Equivalence of classical spins and Hartree-Fock-Bogoliubov approximation of the Fermionic Anharmonic Oscillator

    International Nuclear Information System (INIS)

    Thomaz, M.T.; Toledo Piza, A.F.R. de

    1994-01-01

    We show that the Hartree-Fock-Bogoliubov (alias Gaussian) approximation of the initial condition problem of the Fermionic Anharmonic Oscillator i equivalent to a bosonic Hamiltonian system of two classical spin. (author)

  6. Equilibrium Solutions of the Logarithmic Hamiltonian Leapfrog for the N-body Problem

    Science.gov (United States)

    Minesaki, Yukitaka

    2018-04-01

    We prove that a second-order logarithmic Hamiltonian leapfrog for the classical general N-body problem (CGNBP) designed by Mikkola and Tanikawa and some higher-order logarithmic Hamiltonian methods based on symmetric multicompositions of the logarithmic algorithm exactly reproduce the orbits of elliptic relative equilibrium solutions in the original CGNBP. These methods are explicit symplectic methods. Before this proof, only some implicit discrete-time CGNBPs proposed by Minesaki had been analytically shown to trace the orbits of elliptic relative equilibrium solutions. The proof is therefore the first existence proof for explicit symplectic methods. Such logarithmic Hamiltonian methods with a variable time step can also precisely retain periodic orbits in the classical general three-body problem, which generic numerical methods with a constant time step cannot do.

  7. On gauge fixing and quantization of constrained Hamiltonian systems

    International Nuclear Information System (INIS)

    Dayi, O.F.

    1989-06-01

    In constrained Hamiltonian systems which possess first class constraints some subsidiary conditions should be imposed for detecting physical observables. This issue and quantization of the system are clarified. It is argued that the reduced phase space and Dirac method of quantization, generally, differ only in the definition of the Hilbert space one should use. For the dynamical systems possessing second class constraints the definition of physical Hilbert space in the BFV-BRST operator quantization method is different from the usual definition. (author). 18 refs

  8. Adaptive control of port-Hamiltonian systems

    NARCIS (Netherlands)

    Dirksz, D.A.; Scherpen, J.M.A.; Edelmayer, András

    2010-01-01

    In this paper an adaptive control scheme is presented for general port-Hamiltonian systems. Adaptive control is used to compensate for control errors that are caused by unknown or uncertain parameter values of a system. The adaptive control is also combined with canonical transformation theory for

  9. Iterated Hamiltonian type systems and applications

    Science.gov (United States)

    Tiba, Dan

    2018-04-01

    We discuss, in arbitrary dimension, certain Hamiltonian type systems and prove existence, uniqueness and regularity properties, under the independence condition. We also investigate the critical case, define a class of generalized solutions and prove existence and basic properties. Relevant examples and counterexamples are also indicated. The applications concern representations of implicitly defined manifolds and their perturbations, motivated by differential systems involving unknown geometries.

  10. Symmetry and resonance in Hamiltonian systems

    NARCIS (Netherlands)

    Tuwankotta, J.M.; Verhulst, F.

    2000-01-01

    In this paper we study resonances in two degrees of freedom, autonomous, hamiltonian systems. Due to the presence of a symmetry condition on one of the degrees of freedom, we show that some of the resonances vanish as lower order resonances. After giving a sharp estimate of the resonance domain, we

  11. Symmetry and resonance in Hamiltonian systems

    NARCIS (Netherlands)

    Tuwankotta, J.M.; Verhulst, F.

    1999-01-01

    In this paper we study resonances in two degrees of freedom, autonomous, hamiltonian systems. Due to the presence of a symmetry condition on one of the degrees of freedom, we show that some of the resonances vanish as lower order resonances. After determining the size of the resonance domain, we

  12. Hamiltonian evolutions of twisted polygons in RPn

    International Nuclear Information System (INIS)

    Beffa, Gloria Marì; Wang, Jing Ping

    2013-01-01

    In this paper we find a discrete moving frame and their associated invariants along projective polygons in RP n , and we use them to describe invariant evolutions of projective N-gons. We then apply a reduction process to obtain a natural Hamiltonian structure on the space of projective invariants for polygons, establishing a close relationship between the projective N-gon invariant evolutions and the Hamiltonian evolutions on the invariants of the flow. We prove that any Hamiltonian evolution is induced on invariants by an invariant evolution of N-gons—what we call a projective realization—and both evolutions are connected explicitly in a very simple way. Finally, we provide a completely integrable evolution (the Boussinesq lattice related to the lattice W 3 -algebra), its projective realization in RP 2 and its Hamiltonian pencil. We generalize both structures to n-dimensions and we prove that they are Poisson, defining explicitly the n-dimensional generalization of the planar evolution (a discretization of the W n -algebra). We prove that the generalization is completely integrable, and we also give its projective realization, which turns out to be very simple. (paper)

  13. Discrete variable representation for singular Hamiltonians

    DEFF Research Database (Denmark)

    Schneider, B. I.; Nygaard, Nicolai

    2004-01-01

    We discuss the application of the discrete variable representation (DVR) to Schrodinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost of added complexity, we show that an approach based...

  14. Hamiltonian structure for rescaled integrable Lorenz systems

    International Nuclear Information System (INIS)

    Haas, F.; Goedert, J.

    1993-01-01

    It is shown that three among the known invariants for the Lorenz system recast the original equations into a Hamiltonian form. This is made possible by an appropriate time-dependent rescaling and the use of a generalized formalism with non-trivial structure functions. (author)

  15. Singularities of Poisson structures and Hamiltonian bifurcations

    NARCIS (Netherlands)

    Meer, van der J.C.

    2010-01-01

    Consider a Poisson structure on C8(R3,R) with bracket {, } and suppose that C is a Casimir function. Then {f, g} =<¿C, (¿g x ¿f) > is a possible Poisson structure. This confirms earlier observations concerning the Poisson structure for Hamiltonian systems that are reduced to a one degree of freedom

  16. Transparency in port-Hamiltonian based telemanipulation

    NARCIS (Netherlands)

    Secchi, C; Stramigioli, Stefano; Fantuzzi, C.

    2005-01-01

    After stability, transparency is the major issue in the design of a telemanipulation system. In this paper we exploit a behavioral approach in order to provide an index for the evaluation of transparency in port-Hamiltonian based teleoperators. Furthermore we provide a transparency analysis of

  17. Transparency in Port-Hamiltonian-Based Telemanipulation

    NARCIS (Netherlands)

    Secchi, Cristian; Stramigioli, Stefano; Fantuzzi, Cesare

    After stability, transparency is the major issue in the design of a telemanipulation system. In this paper, we exploit the behavioral approach in order to provide an index for the evaluation of transparency in port-Hamiltonian-based teleoperators. Furthermore, we provide a transparency analysis of

  18. Equivalence of Lagrangian and Hamiltonian BRST quantizations

    International Nuclear Information System (INIS)

    Grigoryan, G.V.; Grigoryan, R.P.; Tyutin, I.V.

    1992-01-01

    Two approaches to the quantization of gauge theories using BRST symmetry are widely used nowadays: the Lagrangian quantization, developed in (BV-quantization) and Hamiltonian quantization, formulated in (BFV-quantization). For all known examples of field theory (Yang-Mills theory, gravitation etc.) both schemes give equivalent results. However the equivalence of these approaches in general wasn't proved. The main obstacle in comparing of these formulations consists in the fact, that in Hamiltonian approach the number of ghost fields is equal to the number of all first-class constraints, while in the Lagrangian approach the number of ghosts is equal to the number of independent gauge symmetries, which is equal to the number of primary first-class constraints only. This paper is devoted to the proof of the equivalence of Lagrangian and Hamiltonian quantizations for the systems with first-class constraints only. This is achieved by a choice of special gauge in the Hamiltonian approach. It's shown, that after integration over redundant variables on the functional integral we come to effective action which is constructed according to rules for construction of the effective action in Lagrangian quantization scheme

  19. Hamiltonian formulation of anomaly free chiral bosons

    International Nuclear Information System (INIS)

    Abdalla, E.; Abdalla, M.C.B.; Devecchi, F.P.; Zadra, A.

    1988-01-01

    Starting out of an anomaly free Lagrangian formulation for chiral scalars, which a Wess-Zumino Term (to cancel the anomaly), we formulate the corresponding hamiltonian problem. Ther we use the (quantum) Siegel invariance to choose a particular, which turns out coincide with the obtained by Floreanini and Jackiw. (author) [pt

  20. Hamiltonian structure of gravitational field theory

    International Nuclear Information System (INIS)

    Rayski, J.

    1992-01-01

    Hamiltonian generalizations of Einstein's theory of gravitation introducing a laminar structure of spacetime are discussed. The concepts of general relativity and of quasi-inertial coordinate systems are extended beyond their traditional scope. Not only the metric, but also the coordinate system, if quantized, undergoes quantum fluctuations