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Sample records for relativistic density matrix

  1. Relativistic density matrix in the diagonal momentum representation. Bose-gas

    International Nuclear Information System (INIS)

    Makhlin, A.N.; Sinyukov, Yu.M.

    1984-01-01

    The relativistic-invariance treatment of the ideal Bose-system arising from the diagonal momentum representation for the density matrix is developed. The average occupation members and their correlators for statistical systems in arbitrary inertial frames are found on the equal-time hypersurfaces. The relativistic partition function method for the calculation of thermodynamic properties of gases moving as a whole is constructed

  2. Relativistic density matrix in the diagonal momentum representation. Fermi-gas

    International Nuclear Information System (INIS)

    Makhlin, A.N.; Sinyukov, Yu.M.

    1984-01-01

    The relativistically invariant theory of ideal Fermi-gas is built in the framework of the quantum field theory. The average occupation numbers and correlation functions of statistical systems are found on the equal-time surfaces of arbitrary inertial frames. The effects of anisotropy in their behaviour are pointed out. The partition function method is developed to calculate the thermodynamic quantities of Fermi-gases moving as a whole

  3. Partial differential equation for the idempotent Dirac density matrix characterized solely by the exact non-relativistic ground-state electron density for spherical atomic ions

    International Nuclear Information System (INIS)

    March, N.H.

    2009-08-01

    In this Journal, March and Suhai have earlier set up a first-order Dirac idempotent density matrix theory for one- and two-level occupancy in which the only input required is the nonrelativistic ground-state electron density. Here, an analytic generalization is provided for the case of spherical electron densities for arbitrary level occupancy. Be-like atomic ions are referred to as an example, but 'almost spherical' molecules like SiH 4 and GeH 4 also become accessible. (author)

  4. Local density approximations for relativistic exchange energies

    International Nuclear Information System (INIS)

    MacDonald, A.H.

    1986-01-01

    The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

  5. Constraints on the cosmological relativistic energy density

    International Nuclear Information System (INIS)

    Zentner, Andrew R.; Walker, Terry P.

    2002-01-01

    We discuss bounds on the cosmological relativistic energy density as a function of redshift, reviewing the big bang nucleosynthesis and cosmic microwave background bounds, updating bounds from large scale structure, and introducing a new bound from the magnitude-redshift relation for type Ia supernovae. We conclude that the standard and well-motivated assumption that relativistic energy is negligible during recent epochs is not necessitated by extant data. We then demonstrate the utility of these bounds by constraining the mass and lifetime of a hypothetical massive big bang relic particle

  6. Relativistic elliptic matrix tops and finite Fourier transformations

    Science.gov (United States)

    Zotov, A.

    2017-10-01

    We consider a family of classical elliptic integrable systems including (relativistic) tops and their matrix extensions of different types. These models can be obtained from the “off-shell” Lax pairs, which do not satisfy the Lax equations in general case but become true Lax pairs under various conditions (reductions). At the level of the off-shell Lax matrix, there is a natural symmetry between the spectral parameter z and relativistic parameter η. It is generated by the finite Fourier transformation, which we describe in detail. The symmetry allows one to consider z and η on an equal footing. Depending on the type of integrable reduction, any of the parameters can be chosen to be the spectral one. Then another one is the relativistic deformation parameter. As a by-product, we describe the model of N2 interacting GL(M) matrix tops and/or M2 interacting GL(N) matrix tops depending on a choice of the spectral parameter.

  7. Matrix elements of the relativistic electron-transition operators

    International Nuclear Information System (INIS)

    Rudzikas, Z.B.; Slepcov, A.A.; Kickin, I.S.

    1976-01-01

    The formulas, which enable us to calculate the electric and magnetic multipole transition probabilities in relativistic approximation under various gauge conditions of the electromagnetic potential, are presented. The numerical values of the coefficients of the one-electron reduced matrix elements of the relativistic operators of the electric and magnetic dipole transitions between the configurations K 0 n 2 l 2 j 2 α 0 J 0 j 2 J--K 0 n 1 l 1 j 1 α 0 'J 0 'j 1 J', where K 0 represents any electronic configuration, having the quantum number of the total angular momentum 0 less than or equal to J 0 less than or equal to 8 (the step is 1 / 2 ), and 1 / 2 less than or equal to j 2 , j 1 less than or equal to 7 / 2 , are given

  8. Relativistic density functional for nuclear structure

    CERN Document Server

    2016-01-01

    This book aims to provide a detailed introduction to the state-of-the-art covariant density functional theory, which follows the Lorentz invariance from the very beginning and is able to describe nuclear many-body quantum systems microscopically and self-consistently. Covariant density functional theory was introduced in nuclear physics in the 1970s and has since been developed and used to describe the diversity of nuclear properties and phenomena with great success. In order to provide an advanced and updated textbook of covariant density functional theory for graduate students and nuclear physics researchers, this book summarizes the enormous amount of material that has accumulated in the field of covariant density functional theory over the last few decades as well as the latest developments in this area. Moreover, the book contains enough details for readers to follow the formalism and theoretical results, and provides exhaustive references to explore the research literature.

  9. Relativistic Energy Density Functionals: Exotic modes of excitation

    International Nuclear Information System (INIS)

    Vretenar, D.; Paar, N.; Marketin, T.

    2008-01-01

    The framework of relativistic energy density functionals has been applied to the description of a variety of nuclear structure phenomena, not only in spherical and deformed nuclei along the valley of β-stability, but also in exotic systems with extreme isospin values and close to the particle drip-lines. Dynamical aspects of exotic nuclear structure have been investigated with the relativistic quasiparticle random-phase approximation. We present results for the evolution of low-lying dipole (pygmy) strength in neutron-rich nuclei, and charged-current neutrino-nucleus cross sections.

  10. RPA correlations and nuclear densities in relativistic mean field approach

    International Nuclear Information System (INIS)

    Van Giai, N.; Liang, H.Z.; Meng, J.

    2007-02-01

    The relativistic mean field approach (RMF) is well known for describing accurately binding energies and nucleon distributions in atomic nuclei throughout the nuclear chart. The random phase approximation (RPA) built on top of the RMF is also a good framework for the study of nuclear excitations. Here, we examine the consequences of long range correlations brought about by the RPA on the neutron and proton densities as given by the RMF approach. (authors)

  11. Hartree--Fock density matrix equation

    International Nuclear Information System (INIS)

    Cohen, L.; Frishberg, C.

    1976-01-01

    An equation for the Hartree--Fock density matrix is discussed and the possibility of solving this equation directly for the density matrix instead of solving the Hartree--Fock equation for orbitals is considered. Toward that end the density matrix is expanded in a finite basis to obtain the matrix representative equation. The closed shell case is considered. Two numerical schemes are developed and applied to a number of examples. One example is given where the standard orbital method does not converge while the method presented here does

  12. Reduction of multipartite qubit density matrixes to bipartite qubit density matrixes and criteria of partial separability of multipartite qubit density matrixes

    OpenAIRE

    Zhong, Zai-Zhe

    2004-01-01

    The partial separability of multipartite qubit density matrixes is strictly defined. We give a reduction way from N-partite qubit density matrixes to bipartite qubit density matrixes, and prove a necessary condition that a N-partite qubit density matrix to be partially separable is its reduced density matrix to satisfy PPT condition.

  13. Hadron matrix elements of quark operators in the relativistic quark model

    Energy Technology Data Exchange (ETDEWEB)

    Bando, Masako; Toya, Mihoko [Kyoto Univ. (Japan). Dept. of Physics; Sugimoto, Hiroshi

    1979-07-01

    General formulae for evaluating matrix elements of two- and four-quark operators sandwiched by one-hadron states are presented on the basis of the relativistic quark model. Observed hadronic quantities are expressed in terms of those matrix elements of two- and four-quark operators. One observes various type of relativistic expression for the matrix elements which in the non-relativistic case reduce to simple expression of the so-called ''the wave function at the origin /sup +/psi(0)/sup +/''.

  14. Cosmic matrix in the jubilee of relativistic astrophysics

    Energy Technology Data Exchange (ETDEWEB)

    Ruffini, R., E-mail: ruffini@icra.it [Dip. di Fisica, Sapienza University of Rome and ICRA Piazzale Aldo Moro 5, I–00185, Rome (Italy); ICRANet, Piazza della Repubblica 10, I–65122 Pescara (Italy); Université de Nice Sophie Antipolis, Nice, CEDEX 2, Grand Château Parc Valrose (France); ICRANet-Rio, Centro Brasileiro de Pesquisas Físicas, Rua Dr. Xavier Sigaud 150, Rio de Janeiro, RJ, 22290–180 (Brazil); Aimuratov, Y.; Enderli, M.; Kovacevic, M. [Dip. di Fisica, Sapienza University of Rome and ICRA Piazzale Aldo Moro 5, I–00185, Rome (Italy); Université de Nice Sophie Antipolis, Nice, CEDEX 2, Grand Château Parc Valrose (France); Belinski, V.; Bianco, C. L.; Izzo, L.; Moradi, R.; Muccino, M.; Rueda, J. A.; Vereshchagin, G. V.; Wang, Y.; Xue, S.-S. [Dip. di Fisica, Sapienza University of Rome and ICRA Piazzale Aldo Moro 5, I–00185, Rome (Italy); ICRANet, Piazza della Repubblica 10, I–65122 Pescara (Italy); Mathews, G. J. [ICRANet, Piazza della Repubblica 10, I–65122 Pescara (Italy); Center for Astrophysics, University of Notre Dame, US (United States); Penacchioni, A. V. [INPE - Av. dos Astronautas, 1758 - Sao Jose dos Campos - Sao Paulo – Brazil (Brazil); Pisani, G. B. [Dip. di Fisica, Sapienza University of Rome and ICRA Piazzale Aldo Moro 5, I–00185, Rome (Italy)

    2015-12-17

    Following the classical works on Neutron Stars, Black Holes and Cosmology, I outline some recent results obtained in the IRAP-PhD program of ICRANet on the “Cosmic Matrix”: a new astrophysical phenomenon recorded by the X- and Gamma-Ray satellites and by the largest ground based optical telescopes all over our planet. In 3 minutes it has been recorded the occurrence of a “Supernova”, the “Induced-Gravitational-Collapse” on a Neutron Star binary, the formation of a “Black Hole”, and the creation of a “Newly Born Neutron Star”. This presentation is based on a document describing activities of ICRANet and recent developments of the paradigm of the Cosmic Matrix in the comprehension of Gamma Ray Bursts (GRBs) presented on the occasion of the Fourteenth Marcel Grossmann Meeting on Recent Developments in Theoretical and Experimental General Relativity, Gravitation, and Relativistic Field Theory. A Portuguese version of this document can be downloaded at: http://www.icranet.org/documents/brochure{sub i}cranet{sub p}t.pdf.

  15. Cosmic matrix in the jubilee of relativistic astrophysics

    International Nuclear Information System (INIS)

    Ruffini, R.; Aimuratov, Y.; Enderli, M.; Kovacevic, M.; Belinski, V.; Bianco, C. L.; Izzo, L.; Moradi, R.; Muccino, M.; Rueda, J. A.; Vereshchagin, G. V.; Wang, Y.; Xue, S.-S.; Mathews, G. J.; Penacchioni, A. V.; Pisani, G. B.

    2015-01-01

    Following the classical works on Neutron Stars, Black Holes and Cosmology, I outline some recent results obtained in the IRAP-PhD program of ICRANet on the “Cosmic Matrix”: a new astrophysical phenomenon recorded by the X- and Gamma-Ray satellites and by the largest ground based optical telescopes all over our planet. In 3 minutes it has been recorded the occurrence of a “Supernova”, the “Induced-Gravitational-Collapse” on a Neutron Star binary, the formation of a “Black Hole”, and the creation of a “Newly Born Neutron Star”. This presentation is based on a document describing activities of ICRANet and recent developments of the paradigm of the Cosmic Matrix in the comprehension of Gamma Ray Bursts (GRBs) presented on the occasion of the Fourteenth Marcel Grossmann Meeting on Recent Developments in Theoretical and Experimental General Relativity, Gravitation, and Relativistic Field Theory. A Portuguese version of this document can be downloaded at: http://www.icranet.org/documents/brochure_icranet_pt.pdf

  16. Relativistic many-body theory of high density matter

    International Nuclear Information System (INIS)

    Chin, S.A.

    1977-01-01

    A fully relativistic quantum many-body theory is applied to the study of high-density matter. The latter is identified with the zero-temperature ground state of a system of interacting baryons. In accordance with the observed short-range repulsive and long-range attractive character of the nucleon--nucleon force, baryons are described as interacting with each other via a massive scalar and a massive vector meson exchange. In the Hartree approximation, the theory yields the same result as the mean-field theory, but with additional vacuum fluctuation corrections. The resultant equation of state for neutron matter is used to determine properties of neutron stars. The relativistic exchange energy, its corresponding single-particle excitation spectrum, and its effect on the neutron matter equation of state, are calculated. The correlation energy from summing the set of ring diagrams is derived directly from the energy-momentum tensor, with renormalization carried out by adding counterterms to the original Lagrangian and subtracting purely vacuum expectation values. Terms of order g 4 lng 2 are explicitly given. Effects of scalar-vector mixing are discussed. Collective modes corresponding to macroscopic density fluctuation are investigated. Two basic modes are found, a plasma-like mode and zero sound, with the latter dominant at high density. The stability and damping of these modes are studied. Last, the effect of vacuum polarization in high-density matter is examined

  17. Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

    Science.gov (United States)

    Alexander, Steven; Coldwell, R. L.

    2015-03-01

    The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

  18. Solid neutron matter the energy density in the relativistic harmonic approximation

    International Nuclear Information System (INIS)

    Cattani, M.; Fernandes, N.C.

    A relativistic expression for the energy density as a function of particle density for solid neutron matter is obtained using Dirac's equation with a truncated harmonic potential. Ultrabaric and superluminous effects are not found in our approach [pt

  19. Fermi liquid description of relativistic high density matter

    Science.gov (United States)

    Pal, K.; Dutt-Mazumder, A. K.

    2011-06-01

    We calculate pionic contribution to the relativistic Fermi Liquid parameters (RFLPs) using Chiral Effective Lagrangian. The RFLPs so determined are then used to calculate chemical potential, exchange energy due to πN interaction. We also compare the results of exchange energy from two loop ring diagrams involving σ, ω and π meson with what one obtains from the relativistic Fermi Liquid theory (RFLT).

  20. Fermi liquid description of relativistic high density matter

    International Nuclear Information System (INIS)

    Pal, K.; Dutt-Mazumder, A.K.

    2011-01-01

    We calculate pionic contribution to the relativistic Fermi Liquid parameters (RFLPs) using Chiral Effective Lagrangian. The RFLPs so determined are then used to calculate chemical potential, exchange energy due to πN interaction. We also compare the results of exchange energy from two loop ring diagrams involving σ, ω and π meson with what one obtains from the relativistic Fermi Liquid theory (RFLT). (author)

  1. Hadron matrix elements of quark operators in the relativistic quark model, 2. Model calculation

    Energy Technology Data Exchange (ETDEWEB)

    Arisue, H; Bando, M; Toya, M [Kyoto Univ. (Japan). Dept. of Physics; Sugimoto, H

    1979-11-01

    Phenomenological studies of the matrix elements of two- and four-quark operators are made on the basis of relativistic independent quark model for typical three cases of the potentials: rigid wall, linearly rising and Coulomb-like potentials. The values of the matrix elements of two-quark operators are relatively well reproduced in each case, but those of four-quark operators prove to be too small in the independent particle treatment. It is suggested that the short-range two-quark correlations must be taken into account in order to improve the values of the matrix elements of the four-quark operators.

  2. Hyperfine electron-nuclear interactions in the frame of the Density Functional and of the Density Matrix Methods

    International Nuclear Information System (INIS)

    Pavlov, R.L.; Pavlov, L.I.; Raychev, P.P.; Garistov, V.P.; Dimitrova-Ivanovich, M.

    2002-01-01

    The matrix elements and expectation values of the hyperfine interaction operators are presented in a form suitable for numerical implementation in density matrix methods. The electron-nuclear spin-spin (dipolar and contact) interactions are considered, as well as the interaction between nuclear spin and electron-orbital motions. These interactions from the effective Breit-Pauli Hamiltonian determine the hyperfine structure in ESR spectra and contribute to chemical shifts in NMR. Applying the Wigner-Eckart theorem in the irreducible tensor-operator technique and the spin-space separation scheme, the matrix elements and expectation values of these relativistic corrections are expressed in analytical form. The final results are presented as products, or sums of products, of factors determined by the spin and (or) angular momentum symmetry and a spatial part determined by the action of the symmetrized tensor-operators on the normalized matrix or function of the spin or charge distribution.

  3. Gauge dependence of world lines and invariance of the S-matrix in relativistic classical mechanics

    International Nuclear Information System (INIS)

    Molotkov, V.V.; Todorov, I.T.

    1980-07-01

    The notion of world lines is studied in the constraint Hamiltonian formulation of relativistic point particle dynamics. The particle world lines are shown to depend in general (in the presence of interaction) on the choice of the equal-time hyperplane (the only exception being the elastic scattering of rigid balls). However, the relative motion of a two-particle system and the (classical) S-matrix are indepent of this choice. (author)

  4. Relativistic analysis of nuclear ground state densities at 135 to 200 ...

    Indian Academy of Sciences (India)

    fitting of differential cross-section and analyzing power, and the appearance of wine-bottle- ... So, the effect of different nuclear density distributions is quite conspicuous in the relativistic ap- proach. Hence, we have analyzed five different nuclear ground state .... The NEG and FNEG densities have been used to see the effect.

  5. Towards high-density matter with relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Nagamiya, Shoji.

    1990-04-01

    Recent progress in nucleus-nucleus collisions at BNL and CERN suggests a hint that the formation of high-density nuclear matter could be possible with relativistic heavy-ion beams. What is the maximum density that can be achieved by heavy-ion collisions? Are there data which show evidence or hints on the formation of high density matter? Why is the research of high-density interesting? How about the future possibilities on this subject? These points are discussed. (author)

  6. Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

    Science.gov (United States)

    Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R.

    2016-07-01

    Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

  7. Density matrix in quantum electrodynamics, equivalence principle and Hawking effect

    International Nuclear Information System (INIS)

    Frolov, V.P.; Gitman, D.M.

    1978-01-01

    The expression for the density matrix describing particles of one sort (electrons or positrons) created by an external electromagnetic field from the vacuum is obtained. The explicit form of the density matrix is found for the case of constant and uniform electric field. Arguments are given for the presence of a connection between the thermal nature of the density matrix describing particles created by the gravitational field of a black hole and the equivalence principle. (author)

  8. Conditional density matrix: systems and subsystems in quantum mechanics

    International Nuclear Information System (INIS)

    Belokurov, V.V.; Khrustalev, O.A.; Sadovnichij, V.A.; Timofeevskaya, O.D.

    2003-01-01

    A new quantum mechanical notion - Conditional Density Matrix - is discussed and is applied to describe some physical processes. This notion is a natural generalization of von Neumann density matrix for such processes as divisions of quantum systems into subsystems and reunifications of subsystems into new joint systems. Conditional Density Matrix assigns a quantum state to a subsystem of a composite system on condition that another part of the composite system is in some pure state

  9. Relativistic atomic matrix elements of rq for arbitrary states in the quantum-defect approximation

    International Nuclear Information System (INIS)

    Owono Owono, L.C.; Owona Angue, M.L.C.; Kwato Njock, M.G.; Oumarou, B.

    2004-01-01

    Recurrence relations used in the calculation of matrix elements of r q for arbitrary q and states of the relativistic one-electron atom with a point-like ionic core are obtained with Dirac and quasirelativistic effective radial Hamiltonians. The phenomenological and supersymmetry-inspired quantum-defect approaches introduced in previous works to model the electron-core interactions are employed. The formulas worked out on the basis of a hypervirial inspired method may be viewed as a generalization to off-diagonal cases of our recently reported results on the evaluation of expectation values of r q

  10. High baryon density from relativistic heavy ion collisions

    Energy Technology Data Exchange (ETDEWEB)

    Pang, Y.; Kahana, S.H. [Brookhaven National Lab., Upton, NY (United States); Schlagel, T.J. [Brookhaven National Lab., Upton, NY (United States)]|[State Univ. of New York, Stony Brook, NY (United States)

    1993-10-01

    A quantitative model, based on hadronic physics, is developed and applied to heavy ion collisions at BNL-AGS energies. This model is in excellent agreement with observed particle spectra in heavy ion collisions using Si beams, where baryon densities of three and four times the normal nuclear matter density ({rho}{sub 0}) are reached. For Au on Au collisions, the authors predict the formation of matter at very high densities (up to 10 {rho}{sub 0}).

  11. Single-particle density matrix of liquid 4He

    International Nuclear Information System (INIS)

    Vakarchuk, I.A.

    2008-01-01

    The density single-particle matrix in the coordinate notation was calculated based on the expression for the interacting Bose-particle N system density matrix. Under the low temperatures the mentioned matrix in the first approximation enables to reproduce the Bogoliubov theory results. In the classical terms the mentioned theory enables to reproduce the results of the theory of the classical fluids in the approximation of the chaotic phases. On the basis of the density single-particle matrix one managed to obtain the function of the pulse distribution of the particles, the Bose-liquid average kinetic energy, and to study the Bose-Einstein condensation phenomenon [ru

  12. Tetrahedron equations and the relativistic S-matrix of straight-strings in 2+1-dimensions

    International Nuclear Information System (INIS)

    Zamolodchikov, A.B.

    1981-01-01

    The quantum S-matrix theory of straight-strings (infinite one-dimensioanl objects like straight domain walls) in 2 + 1-dimensions is considered. The S-matrix is supposed to be purely elastic and factorized. The tetrahedron equations (which are the factorization conditions) are investigated for the special two-colour model. The relativistic three-string S-matrix, which apparently satisfies this tetrahedron equation, is proposed. (orig.)

  13. Current density monitor for intense relativistic electron beams

    International Nuclear Information System (INIS)

    Fiorito, R.B.; Raleigh, M.; Seltzer, S.M.

    1986-01-01

    We describe a new type of electric probe which is capable of measuring the time-resolved current density profile of a stable, reproducible, high-energy (>4-MeV) high-current (>1-kA) electron beam. The sensing element of this probe is an open-ended but capped-off 50-Ω coaxial line constructed of graphite. The graphite sensor is 4.3 mm in diameter, 6 cm long, and is range thin to the primary beam electrons. The probe produces a signal proportional to the intercepted beam current. When the sensor is scanned radially through the beam during repeated pulses, a curve of signal versus depth of insertion is produced from which the radial current density profile can be determined. Measurements are presented of the profile of the electron beam from the Experimental Test Accelerator (4.5 MeV, 10 kA) at Lawrence Livermore National Laboratory. Good agreement is shown between measurements made with this probe and the beam radius as predicted by transport codes. The advantage of the electric probe lies in its ruggedness, simplicity, inherent fast rise time, and low cost. In contrast to other systems it requires no radiation shielding, water cooling, or auxiliary support equipment to operate in an intense beam environment

  14. Relativistic Random-Phase Approximation with Density-dependent Meson-nucleon Couplings at Finite Temperature

    International Nuclear Information System (INIS)

    Niu, Y.; Paar, N.; Vretenar, D.; Meng, J.

    2009-01-01

    The fully self-consistent relativistic random-phase approximation (RRPA) framework based on effective interactions with a phenomenological density dependence is extended to finite temperatures. The RRPA configuration space is built from the spectrum of single-nucleon states at finite temperature obtained by the temperature dependent relativistic mean field (RMF-T) theory based on effective Lagrangian with density dependent meson-nucleon vertex functions. As an illustration, the dependence of binding energy, radius, entropy and single particle levels on temperature for spherical nucleus 2 08P b is investigated in RMF-T theory. The finite temperature RRPA has been employed in studies of giant monopole and dipole resonances, and the evolution of resonance properties has been studied as a function of temperature. In addition, exotic modes of excitation have been systematically explored at finite temperatures, with an emphasis on the case of pygmy dipole resonances.(author)

  15. Lorentz-covariant reduced-density-operator theory for relativistic-quantum-information processing

    International Nuclear Information System (INIS)

    Ahn, Doyeol; Lee, Hyuk-jae; Hwang, Sung Woo

    2003-01-01

    In this paper, we derived a Lorentz-covariant quantum Liouville equation for the density operator which describes the relativistic-quantum-information processing from Tomonaga-Schwinger equation and an exact formal solution for the reduced density operator is obtained using the projector operator technique and the functional calculus. When all the members of the family of the hypersurfaces become flat hyperplanes, it is shown that our results agree with those of the nonrelativistic case, which is valid only in some specified reference frame. To show that our formulation can be applied to practical problems, we derived the polarization of the vacuum in quantum electrodynamics up to the second order. The formulation presented in this work is general and could be applied to related fields such as quantum electrodynamics and relativistic statistical mechanics

  16. Relativistic mean-field approximation with density-dependent screening meson masses in nuclear matter

    International Nuclear Information System (INIS)

    Sun, Baoxi; Lu, Xiaofu; Shen, Pengnian; Zhao, Enguang

    2003-01-01

    The Debye screening masses of the σ, ω and neutral ρ mesons and the photon are calculated in the relativistic mean-field approximation. As the density of the nucleon increases, all the screening masses of mesons increase. A different result with Brown–Rho scaling is shown, which implies a reduction in the mass of all the mesons in the nuclear matter, except the pion. Replacing the masses of the mesons with their corresponding screening masses in the Walecka-1 model, five saturation properties of the nuclear matter are fixed reasonably, and then a density-dependent relativistic mean-field model is proposed without introducing the nonlinear self-coupling terms of mesons. (author)

  17. A J matrix engine for density functional theory calculations

    International Nuclear Information System (INIS)

    White, C.A.; Head-Gordon, M.

    1996-01-01

    We introduce a new method for the formation of the J matrix (Coulomb interaction matrix) within a basis of Cartesian Gaussian functions, as needed in density functional theory and Hartree endash Fock calculations. By summing the density matrix into the underlying Gaussian integral formulas, we have developed a J matrix open-quote open-quote engine close-quote close-quote which forms the exact J matrix without explicitly forming the full set of two electron integral intermediates. Several precomputable quantities have been identified, substantially reducing the number of floating point operations and memory accesses needed in a J matrix calculation. Initial timings indicate a speedup of greater than four times for the (pp parallel pp) class of integrals with speedups increasing to over ten times for (ff parallel ff) integrals. copyright 1996 American Institute of Physics

  18. Orbital functionals in density-matrix- and current-density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Helbig, N

    2006-05-15

    Density-Functional Theory (DFT), although widely used and very successful in the calculation of several observables, fails to correctly describe strongly correlated materials. In the first part of this work we, therefore, introduce reduced-densitymatrix- functional theory (RDMFT) which is one possible way to treat electron correlation beyond DFT. Within this theory the one-body reduced density matrix (1- RDM) is used as the basic variable. Our main interest is the calculation of the fundamental gap which proves very problematic within DFT. In order to calculate the fundamental gap we generalize RDMFT to fractional particle numbers M by describing the system as an ensemble of an N and an N+1 particle system (with N{<=}M{<=}N+1). For each fixed particle number, M, the total energy is minimized with respect to the natural orbitals and their occupation numbers. This leads to the total energy as a function of M. The derivative of this function with respect to the particle number has a discontinuity at integer particle number which is identical to the gap. In addition, we investigate the necessary and sufficient conditions for the 1- RDM of a system with fractional particle number to be N-representable. Numerical results are presented for alkali atoms, small molecules, and periodic systems. Another problem within DFT is the description of non-relativistic many-electron systems in the presence of magnetic fields. It requires the paramagnetic current density and the spin magnetization to be used as basic variables besides the electron density. However, electron-gas-based functionals of current-spin-density-functional Theory (CSDFT) exhibit derivative discontinuities as a function of the magnetic field whenever a new Landau level is occupied, which makes them difficult to use in practice. Since the appearance of Landau levels is, intrinsically, an orbital effect it is appealing to use orbital-dependent functionals. We have developed a CSDFT version of the optimized

  19. Modeling nuclear weak-interaction processes with relativistic energy density functionals

    International Nuclear Information System (INIS)

    Paar, N.; Marketin, T.; Vale, D.; Vretenar, D.

    2015-01-01

    Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground state properties and collective excitations over the entire nuclide chart. In this paper, we review recent developments in modeling nuclear weak-interaction processes: Charge-exchange excitations and the role of isoscalar proton–neutron pairing, charged-current neutrino–nucleus reactions relevant for supernova evolution and neutrino detectors and calculation of β-decay rates for r-process nucleosynthesis. (author)

  20. Gradient-based stochastic estimation of the density matrix

    Science.gov (United States)

    Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton

    2018-03-01

    Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.

  1. Device and method for relativistic electron beam heating of a high-density plasma to drive fast liners

    International Nuclear Information System (INIS)

    Thode, L.E.

    1981-01-01

    A device and method for relativistic electron beam heating of a high-density plasma in a small localized region are described. A relativistic electron beam generator or accelerator produces a high-voltage electron beam which propagates along a vacuum drift tube and is modulated to initiate electron bunching within the beam. The beam is then directed through a low-density gas chamber which provides isolation between the vacuum modulator and the relativistic electron beam target. The relativistic beam is then applied to a high-density target plasma which typically comprises dt, dd, hydrogen boron or similar thermonuclear gas at a density of 1017 to 1020 electrons per cubic centimeter. The target gas is ionized prior to application of the electron beam by means of a laser or other preionization source to form a plasma. Utilizing a relativistic electron beam with an individual particle energy exceeding 3 mev, classical scattering by relativistic electrons passing through isolation foils is negligible. As a result, relativistic streaming instabilities are initiated within the high-density target plasma causing the relativistic electron beam to efficiently deposit its energy and momentum into a small localized region of the high-density plasma target. Fast liners disposed in the high-density target plasma are explosively or ablatively driven to implosion by a heated annular plasma surrounding the fast liner which is generated by an annular relativistic electron beam. An azimuthal magnetic field produced by axial current flow in the annular plasma, causes the energy in the heated annular plasma to converge on the fast liner

  2. Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.

    Science.gov (United States)

    Dresselhaus, Thomas; Neugebauer, Johannes; Knecht, Stefan; Keller, Sebastian; Ma, Yingjin; Reiher, Markus

    2015-01-28

    We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.

  3. Reduced-density-matrix theory and algebraic structures

    International Nuclear Information System (INIS)

    Kryachko, E.S.

    1978-01-01

    A survey of recent work on algebraic structures and reduced-density-matrix theory is presented. The approach leads to a method of classifying reduced density matrices and generalizes the notion of open and closed shells in many-body theory. 6 references

  4. Relativistic time-dependent local-density approximation theory and applications to atomic physics

    International Nuclear Information System (INIS)

    Parpia, F.Z.

    1984-01-01

    A time-dependent linear-response theory appropriate to the relativistic local-density approximation (RLDA) to quantum electrodynamics (QED) is developed. The resulting theory, the relativistic time-dependent local-density approximation (RTDLDA) is specialized to the treatment of electric excitations in closed-shell atoms. This formalism is applied to the calculation of atomic photoionization parameters in the dipole approximation. The static-field limit of the RTDLDA is applied to the calculation of dipole polarizabilities. Extensive numerical calculations of the photoionization parameters for the rare gases neon, argon, krypton, and xenon, and for mercury from the RTDLDA are presented and compared in detail with the results of other theories, in particular the relativistic random-phase approximation (RRPA), and with experimental measurements. The predictions of the RTDLDA are comparable with the RRPA calculations made to date. This is remarkable in that the RTDLDA entails appreciably less computational effort. Finally, the dipole polarizabilities predicted by the static-field RTDLDA are compared with other determinations of these quantities. In view of its simplicity, the static-field RTDLDA demonstrates itself to be one of the most powerful theories available for the calculation of dipole polarizabilities

  5. Relativistic Hartree-Fock theory. Part I: density-dependent effective Lagrangians

    Energy Technology Data Exchange (ETDEWEB)

    LongWen Hui [School of Physics, Peking University, 100871 Beijing (China)]|[CNRS-IN2P3, UMR 8608, F-91406 Orsay Cedex (France)]|[Univ Paris-Sud, F-91405 Orsay (France); Giai, Nguyen Van [CNRS-IN2P3, UMR 8608, F-91406 Orsay Cedex (France)]|[Univ Paris-Sud, F-91405 Orsay (France); Meng, Jie [School of Physics, Peking University, 100871 Beijing (China)]|[Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing (China)]|[Center of Theoretical Nuclear Physics, National Laboratory of Heavy Ion Accelerator, 730000 Lanzhou (China)

    2006-10-15

    Effective Lagrangians suitable for a relativistic Hartree-Fock description of nuclear systems are presented. They include the 4 effective mesons {sigma}, {omega}, {rho} and {pi} with density-dependent meson-nucleon couplings. The criteria for determining the model parameters are the reproduction of the binding energies in a number of selected nuclei, and the bulk properties of nuclear matter (saturation point, compression modulus, symmetry energy). An excellent description of nuclear binding energies and radii is achieved for a range of nuclei encompassing light and heavy systems. The predictions of the present approach compare favorably with those of existing relativistic mean field models, with the advantage of incorporating the effects of pion-nucleon coupling. (authors)

  6. Study on the intense relativistic electron beam propagation in a collisionless plasma of small density

    International Nuclear Information System (INIS)

    Korenev, S.A.; Rubin, N.B.; Khodataev, K.V.

    1982-01-01

    The results of the experimental studies of the intense relativistic electron beam (IREB) propagation with ν/γ approximately 0.1, and γ approximately 1.6 (γ is an electron beam relativistic factor) in a collisionless plasma of small density over the 180 cm length are presented. Plasma is generated with the incomplete discharge over dielectric surface at the residual gas pressure of P approximately 10 -5 Torr. It is shown that the transportation efficiency may be essentially high, if the electron concentration in plasma satisfies the equilibrium conditions and if it is less or equal to the electron concentration in a beam. At concentration less than optimum one, the transportation efficiency decreases due to violations of equilibrium conditions. At high concentration the transportation efficiency also decreased due to the scattering and breaking on excited small-scale and plasma oscillations. The IREB propagation occurs without essential time delay under optimum conditions

  7. Density-matrix formalism for the photoion-electron entanglement in atomic photoionization

    International Nuclear Information System (INIS)

    Radtke, T.; Fritzsche, S.; Surzhykov, A.

    2006-01-01

    The density-matrix theory, based on Dirac's relativistic equation, is applied for studying the entanglement between the photoelectron and residual ion in the course of the photoionization of atoms and ions. In particular, emphasis is placed on deriving the final-state density matrix of the overall system 'photoion+electron', including interelectronic effects and the higher multipoles of the radiation field. This final-state density matrix enables one immediately to analyze the change of entanglement as a function of the energy, angle and the polarization of the incoming light. Detailed computations have been carried out for the 5s photoionization of neutral strontium, leading to a photoion in a 5s 2 S J f =1/2 level. It is found that the photoion-electron entanglement decreases significantly near the ionization threshold and that, in general, it depends on both the photon energy and angle. The possibility to extract photoion-electron pairs with a well-defined degree of entanglement may have far-reaching consequences for quantum information and elsewhere

  8. Entropy density of an adiabatic relativistic Bose-Einstein condensate star

    Energy Technology Data Exchange (ETDEWEB)

    Khaidir, Ahmad Firdaus; Kassim, Hasan Abu; Yusof, Norhasliza [Theoretical Physics Lab., Department of Physics, Faculty of Science Building, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2015-04-24

    Inspired by recent works, we investigate how the thermodynamics parameters (entropy, temperature, number density, energy density, etc) of Bose-Einstein Condensate star scale with the structure of the star. Below the critical temperature in which the condensation starts to occur, we study how the entropy behaves with varying temperature till it reaches its own stability against gravitational collapse and singularity. Compared to photon gases (pressure is described by radiation) where the chemical potential, μ is zero, entropy of photon gases obeys the Stefan-Boltzmann Law for a small values of T while forming a spiral structure for a large values of T due to general relativity. The entropy density of Bose-Einstein Condensate is obtained following the similar sequence but limited under critical temperature condition. We adopt the scalar field equation of state in Thomas-Fermi limit to study the characteristics of relativistic Bose-Einstein condensate under varying temperature and entropy. Finally, we obtain the entropy density proportional to (σT{sup 3}-3T) which obeys the Stefan-Boltzmann Law in ultra-relativistic condition.

  9. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides.

    Science.gov (United States)

    Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye B; Ruud, Kenneth

    2015-08-11

    We present an implementation of the nuclear spin-rotation (SR) constants based on the relativistic four-component Dirac-Coulomb Hamiltonian. This formalism has been implemented in the framework of the Hartree-Fock and Kohn-Sham theory, allowing assessment of both pure and hybrid exchange-correlation functionals. In the density-functional theory (DFT) implementation of the response equations, a noncollinear generalized gradient approximation (GGA) has been used. The present approach enforces a restricted kinetic balance condition for the small-component basis at the integral level, leading to very efficient calculations of the property. We apply the methodology to study relativistic effects on the spin-rotation constants by performing calculations on XHn (n = 1-4) for all elements X in the p-block of the periodic table and comparing the effects of relativity on the nuclear SR tensors to that observed for the nuclear magnetic shielding tensors. Correlation effects as described by the density-functional theory are shown to be significant for the spin-rotation constants, whereas the differences between the use of GGA and hybrid density functionals are much smaller. Our calculated relativistic spin-rotation constants at the DFT level of theory are only in fair agreement with available experimental data. It is shown that the scaling of the relativistic effects for the spin-rotation constants (varying between Z(3.8) and Z(4.5)) is as strong as for the chemical shieldings but with a much smaller prefactor.

  10. The ab-initio density matrix renormalization group in practice.

    Science.gov (United States)

    Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

    2015-01-21

    The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

  11. The ab-initio density matrix renormalization group in practice

    Energy Technology Data Exchange (ETDEWEB)

    Olivares-Amaya, Roberto; Hu, Weifeng; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Nakatani, Naoki [Department of Chemistry, Princeton University, Princeton, New Jersey 08544 (United States); Catalysis Research Center, Hokkaido University, Kita 21 Nishi 10, Sapporo, Hokkaido 001-0021 (Japan)

    2015-01-21

    The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

  12. Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

    Science.gov (United States)

    Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

    2016-08-25

    This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

  13. Transition matrices and orbitals from reduced density matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Etienne, Thibaud [Université de Lorraine – Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); Unité de Chimie Physique Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)

    2015-06-28

    In this contribution, we report two different methodologies for characterizing the electronic structure reorganization occurring when a chromophore undergoes an electronic transition. For the first method, we start by setting the theoretical background necessary to the reinterpretation through simple tensor analysis of (i) the transition density matrix and (ii) the natural transition orbitals in the scope of reduced density matrix theory. This novel interpretation is made more clear thanks to a short compendium of the one-particle reduced density matrix theory in a Fock space. The formalism is further applied to two different classes of excited states calculation methods, both requiring a single-determinant reference, that express an excited state as a hole-particle mono-excited configurations expansion, to which particle-hole correlation is coupled (time-dependent Hartree-Fock/time-dependent density functional theory) or not (configuration interaction single/Tamm-Dancoff approximation). For the second methodology presented in this paper, we introduce a novel and complementary concept related to electronic transitions with the canonical transition density matrix and the canonical transition orbitals. Their expression actually reflects the electronic cloud polarisation in the orbital space with a decomposition based on the actual contribution of one-particle excitations from occupied canonical orbitals to virtual ones. This approach validates our novel interpretation of the transition density matrix elements in terms of the Euclidean norm of elementary transition vectors in a linear tensor space. A proper use of these new concepts leads to the conclusion that despite the different principles underlying their construction, they provide two equivalent excited states topological analyses. This connexion is evidenced through simple illustrations of (in)organic dyes electronic transitions analysis.

  14. Refitting density dependent relativistic model parameters including Center-of-Mass corrections

    International Nuclear Information System (INIS)

    Avancini, Sidney S.; Marinelli, Jose R.; Carlson, Brett Vern

    2011-01-01

    Full text: Relativistic mean field models have become a standard approach for precise nuclear structure calculations. After the seminal work of Serot and Walecka, which introduced a model Lagrangian density where the nucleons interact through the exchange of scalar and vector mesons, several models were obtained through its generalization, including other meson degrees of freedom, non-linear meson interactions, meson-meson interactions, etc. More recently density dependent coupling constants were incorporated into the Walecka-like models, which are then extensively used. In particular, for these models a connection with the density functional theory can be established. Due to the inherent difficulties presented by field theoretical models, only the mean field approximation is used for the solution of these models. In order to calculate finite nuclei properties in the mean field approximation, a reference set has to be fixed and therefore the translational symmetry is violated. It is well known that in such case spurious effects due to the center-of-mass (COM) motion are present, which are more pronounced for light nuclei. In a previous work we have proposed a technique based on the Pierls-Yoccoz projection operator applied to the mean-field relativistic solution, in order to project out spurious COM contributions. In this work we obtain a new fitting for the density dependent parameters of a density dependent hadronic model, taking into account the COM corrections. Our fitting is obtained taking into account the charge radii and binding energies for He 4 , O 16 , Ca 40 , Ca 48 , Ni 56 , Ni 68 , Sn 100 , Sn 132 and Pb 208 . We show that the nuclear observables calculated using our fit are of a quality comparable to others that can be found in the literature, with the advantage that now a translational invariant many-body wave function is at our disposal. (author)

  15. Possibility of Quantum Teleportation and the Reduced Density Matrix

    Institute of Scientific and Technical Information of China (English)

    朱红波; 曾谨言

    2001-01-01

    It is shown that only the maximally entangled two-particle (spin 1/2) states whose one-particle reduced density matrix is p (i) = (1/2)I2 can realize the teleportation of an arbitrary one-particle spin state. Based on this,to teleport an arbitrary k-particle spin state, one must prepare an N-particle entangled state whose k-particle (k < N) reduced density matrix has the structure 2-kI2k (I2k being the 2k × 2k identity matrix). The N-particle Greenberger-Horne-Zeilinger states cannot realize the teleportation of an arbitrary k-particle (N>k≥2) state,except for special states with only two components.

  16. Study on intense relativistic electron beam propagation in a low density collisionless plasma

    International Nuclear Information System (INIS)

    Korenev, S.A.; Rubin, N.B.; Khodataev, K.V.

    1982-01-01

    The results of investigations into the increase in effectivity of transport of an intensive relativistic electron beam (IREB) in a collisionless plasma of low density are presented. The electron beam with the current of 1.5 kA, energy of 300 keV, radius of 1.5 cm is in ected into a plasma channel 180 cm long which is a metallic cylinder covered with a biniplast layer from inside 0.5 cm thickness on which there is a metallic net from the vacuum side. Plasma production is carried out during the supply of voltage pulse to the net. A condition of the optimum IREB distribution is found. It is sohwn that self-focusing IREB transport in plasma of low density can be effective if equilibrium conditions are carried out in plasma with the concentration of electrons less (or equal) to the concentration of electrons in a beam

  17. Interaction of an intense relativistic electron beam with full density air

    International Nuclear Information System (INIS)

    Murphy, D.P.; Pechacek, R.E.; Raleigh, M.; Oliphant, W.F.; Meger, R.A.

    1987-01-01

    The authors report on a study of plasma generation by direct deposition of energy from an intense relativistic electron beam (REB) into full density air. It has been postulated that a sufficiently intense REB can fully ionize the air and produce a 2 eV plasma with Spitzer conductivity. The REB is produced from a field emission diode driven by either the Gamble I or Gamble II generator. Gamble I can produce a 0.60 MV, 300 kA, 50 ns REB and Gamble II can produce a 2.0 MV, 1.0 MA, 50 ns REB. The REB was injected into a short diagnostic cell containing full density air and up to a 14 kG solenoidal magnetic field. The diagnostics include beam and net current measurements, x-ray and visible photography and visible light spectroscopy

  18. Correlated density matrix theory of spatially inhomogeneous Bose fluids

    International Nuclear Information System (INIS)

    Gernoth, K.A.; Clark, J.W.; Ristig, M.L.

    1994-06-01

    In this paper, the variational Hartree-Jastrow theory of the ground state of spatially inhomogeneous Bose systems is extended to finite temperatures. The theory presented here is a generalization also in the sense that it extends the correlated density matrix approach, formulated previously for uniform Bose fluids, to systems with nonuniform density profiles. The method provides a framework in which the effects of thermal excitations on the spatial structure of a Bose fluid, as represented by the density profile and the two-body distribution functions, may be discussed on the basis on an ab initio microscopic description of the system. Thermal excitations make their appearance through self-consistently determined one-body and two-body potentials which enter the nonlinear, coupled Euler-Lagrange equations for the one-body density and for the pair distribution function. Since back-flow correlations are neglected, the excitations are described by a Feynman eigenvalue equation, suitably generalized to nonzero temperatures. The only external quantities entering the correlated density matrix theory elaborated here are the bare two-body interaction potential and, in actual applications, the boundary conditions to be imposed on the one-body density. 30 refs

  19. The time-dependent density matrix renormalisation group method

    Science.gov (United States)

    Ma, Haibo; Luo, Zhen; Yao, Yao

    2018-04-01

    Substantial progress of the time-dependent density matrix renormalisation group (t-DMRG) method in the recent 15 years is reviewed in this paper. By integrating the time evolution with the sweep procedures in density matrix renormalisation group (DMRG), t-DMRG provides an efficient tool for real-time simulations of the quantum dynamics for one-dimensional (1D) or quasi-1D strongly correlated systems with a large number of degrees of freedom. In the illustrative applications, the t-DMRG approach is applied to investigate the nonadiabatic processes in realistic chemical systems, including exciton dissociation and triplet fission in polymers and molecular aggregates as well as internal conversion in pyrazine molecule.

  20. The density-matrix renormalization group: a short introduction.

    Science.gov (United States)

    Schollwöck, Ulrich

    2011-07-13

    The density-matrix renormalization group (DMRG) method has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. The DMRG is a method that shares features of a renormalization group procedure (which here generates a flow in the space of reduced density operators) and of a variational method that operates on a highly interesting class of quantum states, so-called matrix product states (MPSs). The DMRG method is presented here entirely in the MPS language. While the DMRG generally fails in larger two-dimensional systems, the MPS picture suggests a straightforward generalization to higher dimensions in the framework of tensor network states. The resulting algorithms, however, suffer from difficulties absent in one dimension, apart from a much more unfavourable efficiency, such that their ultimate success remains far from clear at the moment.

  1. A real-space stochastic density matrix approach for density functional electronic structure.

    Science.gov (United States)

    Beck, Thomas L

    2015-12-21

    The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

  2. Spectral function from Reduced Density Matrix Functional Theory

    Science.gov (United States)

    Romaniello, Pina; di Sabatino, Stefano; Berger, Jan A.; Reining, Lucia

    2015-03-01

    In this work we focus on the calculation of the spectral function, which determines, for example, photoemission spectra, from reduced density matrix functional theory. Starting from its definition in terms of the one-body Green's function we derive an expression for the spectral function that depends on the natural occupation numbers and on an effective energy which accounts for all the charged excitations. This effective energy depends on the two-body as well as higher-order density matrices. Various approximations to this expression are explored by using the exactly solvable Hubbard chains.

  3. Stationary solution of a time dependent density matrix formalism

    International Nuclear Information System (INIS)

    Tohyama, Mitsuru

    1994-01-01

    A stationary solution of a time-dependent density-matrix formalism, which is an extension of the time-dependent Hartree-Fock theory to include the effects of two-body correlations, is obtained for the Lipkin model hamiltonian, using an adiabatic treatment of the two-body interaction. It is found that the obtained result is a reasonable approximation for the exact solution of the model. (author)

  4. Possibility of ΛΛ pairing and its dependence on background density in a relativistic Hartree-Bogoliubov model

    International Nuclear Information System (INIS)

    Tanigawa, Tomonori; Matsuzaki, Masayuki; Chiba, Satoshi

    2003-01-01

    We calculate a ΛΛ pairing gap in binary mixed matter of nucleons and Λ hyperons within the relativistic Hartree-Bogoliubov model. Λ hyperons to be paired up are immersed in background nucleons in a normal state. The gap is calculated with a one-boson-exchange interaction obtained from a relativistic Lagrangian. It is found that at background density ρ N =2.5ρ 0 the ΛΛ pairing gap is very small, and that a denser background makes it rapidly suppressed. This result suggests a mechanism, specific to mixed matter dealt with relativistic models, of its dependence on the nucleon density. An effect of weaker ΛΛ attraction on the gap is also examined in connection with the revised information of the ΛΛ interaction

  5. One-body density matrix and the momentum density in 4He and 3He

    International Nuclear Information System (INIS)

    Whitlock, P.A.; Panoff, R.M.

    1984-01-01

    The one-body density matrix and the momentum density for liquid and solid 4 He, determined from Green's Function Monte Carlo calculations using the HFDHE2 pair potential, are described. Values for the condensate fraction and the kinetic energy derived from these calculations are given and compared to recent experimental results. Preliminary results from variational Monte Carlo calculations on n(r) and n(k) for liquid 3 He are also reported

  6. Decay of autoionizing states in time-dependent density functional and reduced density matrix functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Kapoor, Varun; Brics, Martins; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Autoionizing states are inaccessible to time-dependent density functional theory (TDDFT) using known, adiabatic Kohn-Sham (KS) potentials. We determine the exact KS potential for a numerically exactly solvable model Helium atom interacting with a laser field that is populating an autoionizing state. The exact single-particle density of the population in the autoionizing state corresponds to that of the energetically lowest quasi-stationary state in the exact KS potential. We describe how this exact potential controls the decay by a barrier whose height and width allows for the density to tunnel out and decay with the same rate as in the ab initio time-dependent Schroedinger calculation. However, devising a useful exchange-correlation potential that is capable of governing such a scenario in general and in more complex systems is hopeless. As an improvement over TDDFT, time-dependent reduced density matrix functional theory has been proposed. We are able to obtain for the above described autoionization process the exact time-dependent natural orbitals (i.e., the eigenfunctions of the exact, time-dependent one-body reduced density matrix) and study the potentials that appear in the equations of motion for the natural orbitals and the structure of the two-body density matrix expanded in them.

  7. A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Ray, Rupashree Shyama

    2009-02-10

    In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO{sub 2}{sup 2+}, [UO{sub 2}OH]{sup +}, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

  8. An open library of relativistic core electron density function for the QTAIM analysis with pseudopotentials.

    Science.gov (United States)

    Zou, Wenli; Cai, Ziyu; Wang, Jiankang; Xin, Kunyu

    2018-04-29

    Based on two-component relativistic atomic calculations, a free electron density function (EDF) library has been developed for nearly all the known ECPs of the elements Li (Z = 3) up to Ubn (Z = 120), which can be interfaced into modern quantum chemistry programs to save the .wfx wavefunction file. The applicability of this EDF library is demonstrated by the analyses of the quantum theory of atoms in molecules (QTAIM) and other real space functions on HeCuF, PtO42+, OgF 4 , and TlCl 3 (DMSO) 2 . When a large-core ECP is used, it shows that the corrections by EDF may significantly improve the properties of some density-derived real space functions, but they are invalid for the wavefunction-depending real space functions. To classify different chemical bonds and especially some nonclassical interactions, a list of universal criteria has also been proposed. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  9. Cluster radioactive decay within the preformed cluster model using relativistic mean-field theory densities

    International Nuclear Information System (INIS)

    Singh, BirBikram; Patra, S. K.; Gupta, Raj K.

    2010-01-01

    We have studied the (ground-state) cluster radioactive decays within the preformed cluster model (PCM) of Gupta and collaborators [R. K. Gupta, in Proceedings of the 5th International Conference on Nuclear Reaction Mechanisms, Varenna, edited by E. Gadioli (Ricerca Scientifica ed Educazione Permanente, Milano, 1988), p. 416; S. S. Malik and R. K. Gupta, Phys. Rev. C 39, 1992 (1989)]. The relativistic mean-field (RMF) theory is used to obtain the nuclear matter densities for the double folding procedure used to construct the cluster-daughter potential with M3Y nucleon-nucleon interaction including exchange effects. Following the PCM approach, we have deduced empirically the preformation probability P 0 emp from the experimental data on both the α- and exotic cluster-decays, specifically of parents in the trans-lead region having doubly magic 208 Pb or its neighboring nuclei as daughters. Interestingly, the RMF-densities-based nuclear potential supports the concept of preformation for both the α and heavier clusters in radioactive nuclei. P 0 α(emp) for α decays is almost constant (∼10 -2 -10 -3 ) for all the parent nuclei considered here, and P 0 c(emp) for cluster decays of the same parents decrease with the size of clusters emitted from different parents. The results obtained for P 0 c(emp) are reasonable and are within two to three orders of magnitude of the well-accepted phenomenological model of Blendowske-Walliser for light clusters.

  10. A relativistic density functional study of uranyl hydrolysis and complexation by carboxylic acids in aqueous solution

    International Nuclear Information System (INIS)

    Ray, Rupashree Shyama

    2009-01-01

    In this work, the complexation of uranium in its most stable oxidation state VI in aqueous solution was studied computationally, within the framework of density functional (DF) theory. The thesis is divided into the following parts: Chapter 2 briefly summarizes the relevant general aspects of actinide chemistry and then focuses on actinide environmental chemistry. Experimental results on hydrolysis, actinide complexation by carboxylic acids, and humic substances are presented to establish a background for the subsequent discussion. Chapter 3 describes the computational method used in this work and the relevant features of the parallel quantum chemistry code PARAGAUSS employed. First, the most relevant basics of the applied density functional approach are presented focusing on relativistic effects. Then, the treatment of solvent effects, essential for an adequate modeling of actinide species in aqueous solution, will be introduced. At the end of this chapter, computational parameters and procedures will be summarized. Chapter 4 presents the computational results including a comparison to available experimental data. In the beginning, the mononuclear hydrolysis product of UO_2"2"+, [UO_2OH]"+, will be discussed. The second part deals with actinide complexation by carboxylate ligands. First of all the coordination number for uranylacetate will be discussed with respect to implications for the complexation of actinides by humic substances followed by the uranyl complexation of aromatic carboxylic acids in comparison to earlier results for aliphatic ones. In the end, the ternary uranyl-hydroxo-acetate are discussed, as models of uranyl humate complexation at ambient condition.

  11. Quest of halo in 31Ne using Glauber model formalism with deformed relativistic mean field density

    International Nuclear Information System (INIS)

    Sharma, Mahesh K.; Patra, S.K.

    2012-01-01

    The advancement of radio active ion beam (RIB) explored the structure of exotic nuclei, which are away from the β stability line. Such nuclei with weak binding lie at the limit of stability and exhibit some fascinating phenomena. One of them is the formation of one or more nucleon halo structure. It is well established that the interaction cross section of halo nuclei like 11 Li, 11 Be and 19 C show anomalously large interaction cross sections and matter radius than that of their neighboring nuclei. Some recent investigations for 31 Ne predict that has a halo nature. The first experimental evidence also suggests 31 Ne as a halo candidate. The isotope 31 Ne having N=21, which breaks the shell closer structure as a consequence of deformation associated with the strong intruder configuration and having special interest, because it lie at island of inversion. Here we apply the well known Glauber approach with conjunction of deformed relativistic mean field densities of projectile and target nuclei. It is to be noted that Panda et al has done the similar calculation using a spherical density

  12. Time dependent density matrix theory and effective interaction

    Energy Technology Data Exchange (ETDEWEB)

    Tohyama, Mitsuru [Kyorin Univ., Mitaka, Tokyo (Japan). School of Medicine

    1998-07-01

    A correlated ground state of {sup 16}O and an E2 giant resonance built on it are calculated using an extended version of the time-dependent Hartree-Fock theory called the time-dependent density-matrix theory (TDDM). The Skyrme force is used in the calculation of both a mean field and two-body correlations. It is found that TDDM gives reasonable ground-state correlations and a large spreading width of the E2 giant resonance when single-particle states in the continuum are treated appropriately. (author)

  13. Many-body localization from one particle density matrix

    Energy Technology Data Exchange (ETDEWEB)

    Bera, Soumya; Bardarson, Jens [Max Planck Institute for the Physics of Complex Systems, Dresden (Germany); Schomerus, Henning [Lancaster University, Lancaster (United Kingdom); Heidrich-Meisner, Fabian [Ludwig-Maximilians-Universitaet Muenchen (Germany)

    2016-07-01

    We show that the one-particle density matrix ρ can be used to characterize the interaction-driven many-body localization transition in isolated fermionic systems. The natural orbitals (the eigenstates) are localized in the many-body localized phase and spread out when one enters the delocalized phase, while the occupation spectrum (the set of eigenvalues) reveals the distinctive Fock- space structure of the many-body eigenstates, exhibiting a step-like discontinuity in the localized phase. The associated one-particle occupation entropy is small in the localized phase and large in the delocalized phase, with diverging fluctuations at the transition.

  14. From Real Materials to Model Hamiltonians With Density Matrix Downfolding

    Directory of Open Access Journals (Sweden)

    Huihuo Zheng

    2018-05-01

    Full Text Available Due to advances in computer hardware and new algorithms, it is now possible to perform highly accurate many-body simulations of realistic materials with all their intrinsic complications. The success of these simulations leaves us with a conundrum: how do we extract useful physical models and insight from these simulations? In this article, we present a formal theory of downfolding–extracting an effective Hamiltonian from first-principles calculations. The theory maps the downfolding problem into fitting information derived from wave functions sampled from a low-energy subspace of the full Hilbert space. Since this fitting process most commonly uses reduced density matrices, we term it density matrix downfolding (DMD.

  15. The problem of the universal density functional and the density matrix functional theory

    International Nuclear Information System (INIS)

    Bobrov, V. B.; Trigger, S. A.

    2013-01-01

    The analysis in this paper shows that the Hohenberg-Kohn theorem is the constellation of two statements: (i) the mathematically rigorous Hohenberg-Kohn lemma, which demonstrates that the same ground-state density cannot correspond to two different potentials of an external field, and (ii) the hypothesis of the existence of the universal density functional. Based on the obtained explicit expression for the nonrel-ativistic particle energy in a local external field, we prove that the energy of the system of more than two non-interacting electrons cannot be a functional of the inhomogeneous density. This result is generalized to the system of interacting electrons. It means that the Hohenberg-Kohn lemma cannot provide justification of the universal density functional for fermions. At the same time, statements of the density functional theory remain valid when considering any number of noninteracting ground-state bosons due to the Bose condensation effect. In the framework of the density matrix functional theory, the hypothesis of the existence of the universal density matrix functional corresponds to the cases of noninteracting particles and to interaction in the Hartree-Fock approximation.

  16. Watching excitons move: the time-dependent transition density matrix

    Science.gov (United States)

    Ullrich, Carsten

    2012-02-01

    Time-dependent density-functional theory allows one to calculate excitation energies and the associated transition densities in principle exactly. The transition density matrix (TDM) provides additional information on electron-hole localization and coherence of specific excitations of the many-body system. We have extended the TDM concept into the real-time domain in order to visualize the excited-state dynamics in conjugated molecules. The time-dependent TDM is defined as an implicit density functional, and can be approximately obtained from the time-dependent Kohn-Sham orbitals. The quality of this approximation is assessed in simple model systems. A computational scheme for real molecular systems is presented: the time-dependent Kohn-Sham equations are solved with the OCTOPUS code and the time-dependent Kohn-Sham TDM is calculated using a spatial partitioning scheme. The method is applied to show in real time how locally created electron-hole pairs spread out over neighboring conjugated molecular chains. The coupling mechanism, electron-hole coherence, and the possibility of charge separation are discussed.

  17. Density matrix embedding in an antisymmetrized geminal power bath

    International Nuclear Information System (INIS)

    Tsuchimochi, Takashi; Welborn, Matthew; Van Voorhis, Troy

    2015-01-01

    Density matrix embedding theory (DMET) has emerged as a powerful tool for performing wave function-in-wave function embedding for strongly correlated systems. In traditional DMET, an accurate calculation is performed on a small impurity embedded in a mean field bath. Here, we extend the original DMET equations to account for correlation in the bath via an antisymmetrized geminal power (AGP) wave function. The resulting formalism has a number of advantages. First, it allows one to properly treat the weak correlation limit of independent pairs, which DMET is unable to do with a mean-field bath. Second, it associates a size extensive correlation energy with a given density matrix (for the models tested), which AGP by itself is incapable of providing. Third, it provides a reasonable description of charge redistribution in strongly correlated but non-periodic systems. Thus, AGP-DMET appears to be a good starting point for describing electron correlation in molecules, which are aperiodic and possess both strong and weak electron correlation

  18. The density matrix - The story of a failed transfer

    Energy Technology Data Exchange (ETDEWEB)

    Blum, Alexander [MPI fuer Wissenschaftsgeschichte, Berlin (Germany)

    2013-07-01

    With the discovery of the positron in 1933, Paul Dirac (along with most other physicists) was forced to really take seriously his earlier suggestion that in the world as we know it all negative energy states are occupied and we are thus surrounded by an infinite sea of electrons. What was needed was a way to treat this large number of electrons in a manageable fashion. Dirac resorted to the use of the density matrix, a technique he had earlier used to describe the large number of electrons in complex atoms. Initially, this transfer from atomic physics to what we would nowadays call particle physics was quite successful, and for a few years the density matrix was the state of the art in describing the Dirac electron sea, but then rapidly fell out of favor. I investigate the causes of this ultimately failed transfer and how it relates to changes in the physical notion of the vacuum, changes which eventually eliminated the analogy on which the transfer had been based in the first place.

  19. Development and application of a density dependent matrix ...

    Science.gov (United States)

    Ranging along the Atlantic coast from US Florida to the Maritime Provinces of Canada, the Atlantic killifish (Fundulus heteroclitus) is an important and well-studied model organism for understanding the effects of pollutants and other stressors in estuarine and marine ecosystems. Matrix population models are useful tools for ecological risk assessment because they integrate effects across the life cycle, provide a linkage between endpoints observed in the individual and ecological risk to the population as a whole, and project outcomes for many generations in the future. We developed a density dependent matrix population model for Atlantic killifish by modifying a model developed for fathead minnow (Pimephales promelas) that has proved to be extremely useful, e.g. to incorporate data from laboratory studies and project effects of endocrine disrupting chemicals. We developed a size-structured model (as opposed to one that is based upon developmental stages or age class structure) so that we could readily incorporate output from a Dynamic Energy Budget (DEB) model, currently under development. Due to a lack of sufficient data to accurately define killifish responses to density dependence, we tested a number of scenarios realistic for other fish species in order to demonstrate the outcome of including this ecologically important factor. We applied the model using published data for killifish exposed to dioxin-like compounds, and compared our results to those using

  20. Global quantum discord and matrix product density operators

    Science.gov (United States)

    Huang, Hai-Lin; Cheng, Hong-Guang; Guo, Xiao; Zhang, Duo; Wu, Yuyin; Xu, Jian; Sun, Zhao-Yu

    2018-06-01

    In a previous study, we have proposed a procedure to study global quantum discord in 1D chains whose ground states are described by matrix product states [Z.-Y. Sun et al., Ann. Phys. 359, 115 (2015)]. In this paper, we show that with a very simple generalization, the procedure can be used to investigate quantum mixed states described by matrix product density operators, such as quantum chains at finite temperatures and 1D subchains in high-dimensional lattices. As an example, we study the global discord in the ground state of a 2D transverse-field Ising lattice, and pay our attention to the scaling behavior of global discord in 1D sub-chains of the lattice. We find that, for any strength of the magnetic field, global discord always shows a linear scaling behavior as the increase of the length of the sub-chains. In addition, global discord and the so-called "discord density" can be used to indicate the quantum phase transition in the model. Furthermore, based upon our numerical results, we make some reliable predictions about the scaling of global discord defined on the n × n sub-squares in the lattice.

  1. Relativistic density functional theory with picture-change corrected electron density based on infinite-order Douglas-Kroll-Hess method

    Science.gov (United States)

    Oyama, Takuro; Ikabata, Yasuhiro; Seino, Junji; Nakai, Hiromi

    2017-07-01

    This Letter proposes a density functional treatment based on the two-component relativistic scheme at the infinite-order Douglas-Kroll-Hess (IODKH) level. The exchange-correlation energy and potential are calculated using the electron density based on the picture-change corrected density operator transformed by the IODKH method. Numerical assessments indicated that the picture-change uncorrected density functional terms generate significant errors, on the order of hartree for heavy atoms. The present scheme was found to reproduce the energetics in the four-component treatment with high accuracy.

  2. Correlation density matrices for one-dimensional quantum chains based on the density matrix renormalization group

    International Nuclear Information System (INIS)

    Muender, W; Weichselbaum, A; Holzner, A; Delft, Jan von; Henley, C L

    2010-01-01

    A useful concept for finding numerically the dominant correlations of a given ground state in an interacting quantum lattice system in an unbiased way is the correlation density matrix (CDM). For two disjoint, separated clusters, it is defined to be the density matrix of their union minus the direct product of their individual density matrices and contains all the correlations between the two clusters. We show how to extract from the CDM a survey of the relative strengths of the system's correlations in different symmetry sectors and the nature of their decay with distance (power law or exponential), as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. To achieve this goal, we introduce a new method of analysing the CDM, termed the dominant operator basis (DOB) method, which identifies in an unbiased fashion a small set of operators for each cluster that serve as a basis for the dominant correlations of the system. We illustrate this method by analysing the CDM for a spinless extended Hubbard model that features a competition between charge density correlations and pairing correlations, and show that the DOB method successfully identifies their relative strengths and dominant correlators. To calculate the ground state of this model, we use the density matrix renormalization group, formulated in terms of a variational matrix product state (MPS) approach within which subsequent determination of the CDM is very straightforward. In an extended appendix, we give a detailed tutorial introduction to our variational MPS approach for ground state calculations for one-dimensional quantum chain models. We present in detail how MPSs overcome the problem of large Hilbert space dimensions in these models and describe all the techniques needed for handling them in practice.

  3. Extraction complexes of Pu(IV) with carbamoylmethylphosphine oxide ligands. A relativistic density functional study

    International Nuclear Information System (INIS)

    Wang, Cong-Zhi; Lan, Jian-Hui; Feng, Yi-Xiao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun; Wei, Yue-Zhou

    2014-01-01

    The extraction complexes of Pu(IV) with n-octyl(phenyl)-N,N-diisobutyl-methylcarbamoyl phosphine oxide (CMPO) and diphenyl-N,N-diisobutyl carbamoyl phosphine oxide (Ph 2 CMPO) have been studied by using density functional theory (DFT) combined with relativistic small-core pseudopotentials. For most complexes, the CMPO and Ph 2 CMPO molecules are coordinated as bidentate chelating ligands through the carbonyl oxygen and phosphoric oxygen atoms. The metal-ligand bonding is mainly ionic for all of these complexes. The neutral PuL(NO 3 ) 4 and PuL 2 (NO 3 ) 4 complexes are predicted to be the most thermodynamically stable molecules according to the metal-ligand complexation reactions. In addition, hydration energies may also play a significant role in the extractability of CMPO and Ph 2 CMPO for the plutonium cations. In most cases, the complexes with CMPO possess qualitatively similar geometries and electron structures to those with Ph 2 CMPO, and they also have comparable metal-ligand binding energies. Thus, replacement of alkyl groups by phenyl groups at the phosphorus atom of CMPO seems to have no obvious influence on the extraction of Pu(IV). (orig.)

  4. Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems.

    Science.gov (United States)

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

    2013-12-27

    A four-component relativistic method for the calculation of NMR shielding constants of paramagnetic doublet systems has been developed and implemented in the ReSpect program package. The method uses a Kramer unrestricted noncollinear formulation of density functional theory (DFT), providing the best DFT framework for property calculations of open-shell species. The evaluation of paramagnetic nuclear magnetic resonance (pNMR) tensors reduces to the calculation of electronic g tensors, hyperfine coupling tensors, and NMR shielding tensors. For all properties, modern four-component formulations were adopted. The use of both restricted kinetically and magnetically balanced basis sets along with gauge-including atomic orbitals ensures rapid basis-set convergence. These approaches are exact in the framework of the Dirac-Coulomb Hamiltonian, thus providing useful reference data for more approximate methods. Benchmark calculations on Ru(III) complexes demonstrate good performance of the method in reproducing experimental data and also its applicability to chemically relevant medium-sized systems. Decomposition of the temperature-dependent part of the pNMR tensor into the traditional contact and pseudocontact terms is proposed.

  5. Studies on the propagation of relativistic plasma waves in high density plasmas produced by hypersonic ionizing shock waves

    International Nuclear Information System (INIS)

    Williams, R.L.; Johnson, J.A. III

    1993-01-01

    The feasibility of using an ionizing shock wave to produce high density plasmas suitable for the propagation large amplitude relativistic plasma waves is being investigated. A 20 kv arc driven shock tube of coaxial geometry produces a hypersonic shock wave (10 p > 10 17 cm -3 ). The shock can be made to reflect off the end of the tube, collide with its wake, and thus increase the plasma density further. After reflecting, the plasma is at rest. The shock speed is measured using piezoelectric pressure probes and the ion density is measured using laser induced fluorescence (LIF) techniques on argon 488.0 nm and 422.8 nm lines. The future plans are to excite large amplitude relativistic plasma waves in this plasma by either injecting a short pulse laser (Laser Wake Field Scheme), two beating lasers (Plasma Beat Wave Scheme), or a short bunch of relativistic electrons (Plasma Wake Field Scheme). Results of recent computational and theoretical studies, as well as initial experimental measurements on the plasma using LIF, are reported. Implications for the application of high density plasmas produced in this way to such novel schemes as the plasma wave accelerator, photon accelerator, plasma wave undulator, and also plasma lens, are discussed. The effect of plasma turbulence is also discussed

  6. Reduced density matrix functional theory at finite temperature

    Energy Technology Data Exchange (ETDEWEB)

    Baldsiefen, Tim

    2012-10-15

    Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to

  7. Reduced density matrix functional theory at finite temperature

    International Nuclear Information System (INIS)

    Baldsiefen, Tim

    2012-10-01

    Density functional theory (DFT) is highly successful in many fields of research. There are, however, areas in which its performance is rather limited. An important example is the description of thermodynamical variables of a quantum system in thermodynamical equilibrium. Although the finite-temperature version of DFT (FT-DFT) rests on a firm theoretical basis and is only one year younger than its brother, groundstate DFT, it has been successfully applied to only a few problems. Because FT-DFT, like DFT, is in principle exact, these shortcomings can be attributed to the difficulties of deriving valuable functionals for FT-DFT. In this thesis, we are going to present an alternative theoretical description of quantum systems in thermal equilibrium. It is based on the 1-reduced density matrix (1RDM) of the system, rather than on its density and will rather cumbersomly be called finite-temperature reduced density matrix functional theory (FT-RDMFT). Its zero-temperature counterpart (RDMFT) proved to be successful in several fields, formerly difficult to address via DFT. These fields include, for example, the calculation of dissociation energies or the calculation of the fundamental gap, also for Mott insulators. This success is mainly due to the fact that the 1RDM carries more directly accessible ''manybody'' information than the density alone, leading for example to an exact description of the kinetic energy functional. This sparks the hope that a description of thermodynamical systems employing the 1RDM via FT-RDMFT can yield an improvement over FT-DFT. Giving a short review of RDMFT and pointing out difficulties when describing spin-polarized systems initiates our work. We then lay the theoretical framework for FT-RDMFT by proving the required Hohenberg-Kohn-like theorems, investigating and determining the domain of FT-RDMFT functionals and by deriving several properties of the exact functional. Subsequently, we present a perturbative method to iteratively construct

  8. Symmetry energy of the nucleus in the relativistic Thomas-Fermi approach with density-dependent parameters

    Science.gov (United States)

    Haddad, S.

    2017-11-01

    The symmetry energy of a nucleus is determined in a local density approximation and integrating over the entire density distribution of the nucleus, calculated utilizing the relativistic density-dependent Thomas-Fermi approach. The symmetry energy is found to decrease with increasing neutron excess in the nucleus. The isovector coupling channel reduces the symmetry energy, and this effect increases with increased neutron excess. The isovector coupling channel increases the symmetry energy integral in ^{40}Ca and reduces it in ^{48}Ca, and the interplay between the isovector and the isoscalar channels of the nuclear force explains this isotope effect.

  9. Multiphoton ionization of many-electron atoms and highly-charged ions in intense laser fields: a relativistic time-dependent density functional theory approach

    Science.gov (United States)

    Tumakov, Dmitry A.; Telnov, Dmitry A.; Maltsev, Ilia A.; Plunien, Günter; Shabaev, Vladimir M.

    2017-10-01

    We develop an efficient numerical implementation of the relativistic time-dependent density functional theory (RTDDFT) to study multielectron highly-charged ions subject to intense linearly-polarized laser fields. The interaction with the electromagnetic field is described within the electric dipole approximation. The resulting time-dependent relativistic Kohn-Sham (RKS) equations possess an axial symmetry and are solved accurately and efficiently with the help of the time-dependent generalized pseudospectral method. As a case study, we calculate multiphoton ionization probabilities of the neutral argon atom and argon-like xenon ion. Relativistic effects are assessed by comparison of our present results with existing non-relativistic data.

  10. 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.

  11. Matrix product density operators: Renormalization fixed points and boundary theories

    Energy Technology Data Exchange (ETDEWEB)

    Cirac, J.I. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Pérez-García, D., E-mail: dperezga@ucm.es [Departamento de Análisis Matemático, Universidad Complutense de Madrid, Plaza de Ciencias 3, 28040 Madrid (Spain); ICMAT, Nicolas Cabrera, Campus de Cantoblanco, 28049 Madrid (Spain); Schuch, N. [Max-Planck-Institut für Quantenoptik, Hans-Kopfermann-Str. 1, D-85748 Garching (Germany); Verstraete, F. [Department of Physics and Astronomy, Ghent University (Belgium); Vienna Center for Quantum Technology, University of Vienna (Austria)

    2017-03-15

    We consider the tensors generating matrix product states and density operators in a spin chain. For pure states, we revise the renormalization procedure introduced in (Verstraete et al., 2005) and characterize the tensors corresponding to the fixed points. We relate them to the states possessing zero correlation length, saturation of the area law, as well as to those which generate ground states of local and commuting Hamiltonians. For mixed states, we introduce the concept of renormalization fixed points and characterize the corresponding tensors. We also relate them to concepts like finite correlation length, saturation of the area law, as well as to those which generate Gibbs states of local and commuting Hamiltonians. One of the main result of this work is that the resulting fixed points can be associated to the boundary theories of two-dimensional topological states, through the bulk-boundary correspondence introduced in (Cirac et al., 2011).

  12. Efficient perturbation theory to improve the density matrix renormalization group

    Science.gov (United States)

    Tirrito, Emanuele; Ran, Shi-Ju; Ferris, Andrew J.; McCulloch, Ian P.; Lewenstein, Maciej

    2017-02-01

    The density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. It has been applied to solve many physical problems, including the calculation of ground states and dynamical properties. In this work, we develop a perturbation theory of the DMRG (PT-DMRG) to greatly increase its accuracy in an extremely simple and efficient way. Using the canonical matrix product state (MPS) representation for the ground state of the considered system, a set of orthogonal basis functions {| ψi> } is introduced to describe the perturbations to the ground state obtained by the conventional DMRG. The Schmidt numbers of the MPS that are beyond the bond dimension cutoff are used to define these perturbation terms. The perturbed Hamiltonian is then defined as H˜i j= ; its ground state permits us to calculate physical observables with a considerably improved accuracy compared to the original DMRG results. We benchmark the second-order perturbation theory with the help of a one-dimensional Ising chain in a transverse field and the Heisenberg chain, where the precision of the DMRG is shown to be improved O (10 ) times. Furthermore, for moderate L the errors of the DMRG and PT-DMRG both scale linearly with L-1 (with L being the length of the chain). The linear relation between the dimension cutoff of the DMRG and that of the PT-DMRG at the same precision shows a considerable improvement in efficiency, especially for large dimension cutoffs. In the thermodynamic limit we show that the errors of the PT-DMRG scale with √{L-1}. Our work suggests an effective way to define the tangent space of the ground-state MPS, which may shed light on the properties beyond the ground state. This second-order PT-DMRG can be readily generalized to higher orders, as well as applied to models in higher dimensions.

  13. Spin and orbital magnetism of coinage metal trimers (Cu3, Ag3, Au3: A relativistic density functional theory study

    Directory of Open Access Journals (Sweden)

    Mahdi Afshar

    2013-11-01

    Full Text Available We have demonstrated electronic structure and magnetic properties of Cu3, Ag3 and Au3 trimers using a full potential local orbital method in the framework of relativistic density functional theory. We have also shown that the non-relativistic generalized gradient approximation for the exchange-correlation energy functional gives reliable magnetic properties in coinage metal trimers compared to experiment. In addition we have indicated that the spin-orbit coupling changes the structure and magnetic properties of gold trimer while the structure and magnetic properties of copper and silver trimers are marginally affected. A significant orbital moment of 0.21μB was found for most stable geometry of the gold trimer whereas orbital magnetism is almost quenched in the copper and silver trimers.

  14. Atomic structures of the rare-earths and actinides via relativistic current- and spin-density functional theory

    International Nuclear Information System (INIS)

    Higuchi, M.; Onuki, Y.; Osaka Univ., Toyonaka; Hasegawa, A.

    1998-01-01

    A new single-particle equation of the Kohn-Sham-Dirac type is derived from a relativistic current- and spin-density functional theory (RCSDFT), and is here applied to the calculations of the atomic structures of the rare-earth elements. Both the relativistic effects and the magnetic effects are taken into account on an equal footing, and the numerical calculation is carried out by modifying the method of Cortona et al. Because of the presence of the effective magnetic field, the degeneracies in all orbits are completely resolved like the Zeeman splittings. Total spin and orbital angular momenta over all the occupied states are shown to agree reasonably well with the Hund's rules for the rare-earth ions. (orig.)

  15. Quantum Crystallography: Density Matrix-Density Functional Theory and the X-Ray Diffraction Experiment

    Science.gov (United States)

    Soirat, Arnaud J. A.

    Density Matrix Theory is a Quantum Mechanical formalism in which the wavefunction is eliminated and its role taken over by reduced density matrices. The interest of this is that, it allows one, in principle, to calculate any electronic property of a physical system, without having to solve the Schrodinger equation, using only two entities much simpler than an N-body wavefunction: first and second -order reduced density matrices. In practice, though, this very promising possibility faces the tremendous theoretical problem of N-representability, which has been solved for the former, but, until now, voids any hope of theoretically determining the latter. However, it has been shown that single determinant reduced density matrices of any order may be recovered from coherent X-ray diffraction data, if one provides a proper Quantum Mechanical description of the Crystallography experiment. A deeper investigation of this method is the purpose of this work, where we, first, further study the calculation of X-ray reduced density matrices N-representable by a single Slater determinant. In this context, we independently derive necessary and sufficient conditions for the uniqueness of the method. We then show how to account for electron correlation in this model. For the first time, indeed, we derive highly accurate, yet practical, density matrices approximately N-representable by correlated-determinant wavefunctions. The interest of such a result lies in the Quantum Mechanical validity of these density matrices, their property of being entirely obtainable from X-ray coherent diffraction data, their very high accuracy conferred by this known property of the N-representing wavefunction, as well as their definition as explicit functionals of the density. All of these properties are finally used in both a theoretical and a numerical application: in the former, we show that these density matrices may be used in the context of Density Functional Theory to highly accurately determine

  16. Density matrix of strongly coupled quantum dot - microcavity system

    International Nuclear Information System (INIS)

    Nguyen Van Hop

    2009-01-01

    Any two-level quantum system can be used as a quantum bit (qubit) - the basic element of all devices and systems for quantum information and quantum computation. Recently it was proposed to study the strongly coupled system consisting of a two-level quantum dot and a monoenergetic photon gas in a microcavity-the strongly coupled quantum dot-microcavity (QD-MC) system for short, with the Jaynes-Cumming total Hamiltonian, for the application in the quantum information processing. Different approximations were applied in the theoretical study of this system. In this work, on the basis of the exact solution of the Schrodinger equation for this system without dissipation we derive the exact formulae for its density matrix. The realization of a qubit in this system is discussed. The solution of the system of rate equation for the strongly coupled QD-MC system in the presence of the interaction with the environment was also established in the first order approximation with respect to this interaction.

  17. Reduced density-matrix functional theory: Correlation and spectroscopy.

    Science.gov (United States)

    Di Sabatino, S; Berger, J A; Reining, L; Romaniello, P

    2015-07-14

    In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard dimer at 1/4 and 1/2 fillings as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison, we also report the results of the GW approximation, where the self-energy functional is approximated, but no further hypothesis is made concerning the approximations of the observables. In particular, we focus on the atomic limit, where the two sites of the dimer are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard dimer at 1/2 filling with or without a spin-symmetry-broken ground state allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in GW, the signature of strong correlation is present, when looking at the removal/addition energies and spectral function from the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover, we show how the spectroscopic properties change from one spin structure to the other.

  18. Relativistic mean field theory with density dependent coupling constants for nuclear matter and finite nuclei with large charge asymmetry

    Energy Technology Data Exchange (ETDEWEB)

    Typel, S; Wolter, H H [Sektion Physik, Univ. Muenchen, Garching (Germany)

    1998-06-01

    Nuclear matter and ground state properties for (proton and neutron) semi-closed shell nuclei are described in relativistic mean field theory with coupling constants which depend on the vector density. The parametrization of the density dependence for {sigma}-, {omega}- and {rho}-mesons is obtained by fitting to properties of nuclear matter and some finite nuclei. The equation of state for symmetric and asymmetric nuclear matter is discussed. Finite nuclei are described in Hartree approximation, including a charge and an improved center-of-mass correction. Pairing is considered in the BCS approximation. Special attention is directed to the predictions for properties at the neutron and proton driplines, e.g. for separation energies, spin-orbit splittings and density distributions. (orig.)

  19. The finite temperature density matrix and two-point correlations in the antiferromagnetic XXZ chain

    Science.gov (United States)

    Göhmann, Frank; Hasenclever, Nils P.; Seel, Alexander

    2005-10-01

    We derive finite temperature versions of integral formulae for the two-point correlation functions in the antiferromagnetic XXZ chain. The derivation is based on the summation of density matrix elements characterizing a finite chain segment of length m. On this occasion we also supply a proof of the basic integral formula for the density matrix presented in an earlier publication.

  20. 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

  1. Two-body density matrix for closed s-d shell nuclei

    International Nuclear Information System (INIS)

    Dimitrova, S.S.; Kadrev, D.N.; Antonov, A.N.; Stoitsov, M.V.

    2000-01-01

    The two-body density matrix for 4 He, 16 O and 40 Ca within the Low-order approximation of the Jastrow correlation method is considered. Closed analytical expressions for the two-body density matrix, the center of mass and relative local densities and momentum distributions are presented. The effects of the short-range correlations on the two-body nuclear characteristics are investigated. (orig.)

  2. Reduced density matrix functional theory via a wave function based approach

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Robert; Bloechl, Peter [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal (Germany); Pruschke, Thomas [Institute for Theoretical Physics, University of Goettingen, Goettingen (Germany)

    2016-07-01

    We propose a new method for the calculation of the electronic and atomic structure of correlated electron systems based on reduced density matrix functional theory (rDMFT). The density-matrix functional is evaluated on the fly using Levy's constrained search formalism. The present implementation rests on a local approximation of the interaction reminiscent to that of dynamical mean field theory (DMFT). We focus here on additional approximations to the exact density-matrix functional in the local approximation and evaluate their performance.

  3. Effect of deformation on structure and reaction of Al isotopes using relativistic mean field densities in Glauber model

    Science.gov (United States)

    Panda, R. N.; Sharma, Mahesh K.; Panigrahi, M.; Patra, S. K.

    2018-06-01

    We have examined the ground state properties of Al isotopes towards the proton rich side from A = 22 to 28 using the well known relativistic mean field (RMF) formalism with NLSH parameter set. The calculated results are compared with the predictions of finite range droplet model and experimental data. The calculation is extended to estimate the reaction cross section for ^{22-28}Al as projectiles with ^{12}C as target. The incident energy of the projectiles are taken as 950 MeV/nucleon, for both spherical and deformed RMF densities as inputs in the Glauber model approximation. Further investigation of enhanced values of total reaction cross section for ^{23}Al and ^{24}Al in comparison to rest of the isotopes indicates the proton skin structure of these isotopes. Specifically, the large value of root mean square radius and total reaction cross section of ^{23}Al could not be ruled out the formation of proton halo.

  4. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    Science.gov (United States)

    Xu, Wenhua; Ma, Jianyi; Peng, Daoling; Zou, Wenli; Liu, Wenjian; Staemmler, Volker

    2009-02-01

    The perrhenate anion, ReO4-, is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3T1 and 3T2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted.

  5. Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory study

    International Nuclear Information System (INIS)

    Xu Wenhua; Ma Jianyi; Peng Daoling; Zou Wenli; Liu Wenjian; Staemmler, Volker

    2009-01-01

    The perrhenate anion, ReO 4 - , is taken as a showcase of heavy transition metal complexes, to examine the performance of time-dependent relativistic density functional linear response theory for electronic excitations, which is based on a newly proposed exact two-component Hamiltonian resulting from the symmetrized elimination of the small component. In total 30 scalar and 63 spinor excited states are investigated and the results are grossly in good agreement with those by the singles and doubles coupled-cluster linear response theory. It is found that only a few scalar states of 3 T 1 and 3 T 2 symmetries are split significantly by the spin-orbit coupling, whereas only those excited states involving the Rydberg-type virtual orbital are affected by the solvent effects. The nature of the optical absorption spectra is also highlighted

  6. Experimental measurements of deep directional columnar heating by laser-generated relativistic electrons at near-solid density

    International Nuclear Information System (INIS)

    Koch, J.A.; Key, M.H.; Hatchett, S.P.; Lee, R.W.; Pennington, D.; Tabak, M.; Freeman, R.R.; Stephens, R.B.

    2002-01-01

    In our experiments, we irradiated solid CH targets with a 400 J, 5 ps, 3x10 19 W/cm 2 laser, and we used x-ray imaging and spectroscopic diagnostics to monitor the keV x-ray emission from thin Al or Au tracer layers buried within the targets. The experiments were designed to quantify the spatial distribution of the thermal electron temperature and density as a function of buried layer depth; these data provide insights into the behavior of relativistic electron currents which flow within the solid target and are directly and indirectly responsible for the heating. We measured ∼200-350 eV temperatures and near-solid densities at depths ranging from 5 to 100 μm beneath the target surface. Time-resolved x-ray spectra from Al tracers indicate that the tracers emit thermal x rays and cool slowly compared to the time scale of the laser pulse. Most intriguingly, we consistently observe annular x-ray images in all buried tracer-layer experiments, and these data show that the temperature distribution is columnar, with enhanced heating along the edges of the column. The ring diameters are much greater than the laser focal spot diameter and do not vary significantly with the depth of the tracer layer for depths greater than 30 μm. The local temperatures are 200-350 eV for all tracer depths. We discuss recent simulations of the evolution of electron currents deep within solid targets irradiated by ultra-high-intensity lasers, and we discuss how modeling and analytical results suggest that the annular patterns we observe may be related to locally strong growth of the Weibel instability. We also suggest avenues for future research in order to further illuminate the complex physics of relativistic electron transport and energy deposition inside ultra-high-intensity laser-irradiated solid targets

  7. Computationally efficient analytic representations of relativistic bound-bound, bound-unbound and unbound-unbound transition matrix elements of hydrogenic atoms

    International Nuclear Information System (INIS)

    Soldatov, A.; Seke, J.; Adam, G.; Polak, M.

    2008-01-01

    Full text: A closed analytic form for relativistic transition matrix elements between bound-bound, bound-unbound and unbound-unbound relativistic eigenstates of hydrogenic atoms by using the plane-wave expansion for the electromagnetic-field vector potential was derived in a form convenient for large-scale numerical calculations in QED. By applying the obtained formulae, these transition matrix elements can be evaluated analytically and numerically. These exact matrix elements, which to our knowledge have not been calculated as yet, are of great importance in the analysis of various atom-field interaction processes where retardation effects cannot be ignored. The ultimate goal of the ongoing research is to develop a general universal calculation technique for Seke's approximation and renormalization method in QED, for which the usage of the plane vector expansion for the vector potential is a preferable choice. However, our primary interest lies in the Lamb-shift calculation. Our nearest objective is to carry out the plain-style relativistic calculations of the Lamb shift of the energy levels of hydrogen-like atoms and ions from first principles in the second and higher perturbative orders, using the corresponding convenient as well as novel expressions for the magnitude in question as they stand, i.e. without any additional approximations. Due to that there is no way to achieve all the above-declared goals without recourse to large-scale laborious and time-consuming high-precision numerical calculations, having the transition matrix elements of all possible types in an analytic, convenient for their efficient numerical evaluation form, would be highly advantageous and even unavoidable, especially for calculations of various QED effects in higher perturbative orders be it, equally, in traditional or novel approach. (author)

  8. Development of edge effects around experimental ecosystem hotspots is affected by edge density and matrix type

    Science.gov (United States)

    Ecological edge effects are sensitive to landscape context. In particular, edge effects can be altered by matrix type and by the presence of other nearby edges. We experimentally altered patch configurations in an African savanna to determine how edge density and matrix type influence edge effect de...

  9. A novel matrix approach for controlling the invariant densities of chaotic maps

    International Nuclear Information System (INIS)

    Rogers, Alan; Shorten, Robert; Heffernan, Daniel M.

    2008-01-01

    Recent work on positive matrices has resulted in a new matrix method for generating chaotic maps with arbitrary piecewise constant invariant densities, sometimes known as the inverse Frobenius-Perron problem (IFPP). In this paper, we give an extensive introduction to the IFPP, describing existing methods for solving it, and we describe our new matrix approach for solving the IFPP

  10. Blue functions: probability and current density propagators in non-relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Withers, L P Jr

    2011-01-01

    Like a Green function to propagate a particle's wavefunction in time, a Blue function is introduced to propagate the particle's probability and current density. Accordingly, the complete Blue function has four components. They are constructed from path integrals involving a quantity like the action that we call the motion. The Blue function acts on the displaced probability density as the kernel of an integral operator. As a result, we find that the Wigner density occurs as an expression for physical propagation. We also show that, in quantum mechanics, the displaced current density is conserved bilocally (in two places at one time), as expressed by a generalized continuity equation. (paper)

  11. The Riemann problem for the relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation

    Science.gov (United States)

    Shao, Zhiqiang

    2018-04-01

    The relativistic full Euler system with generalized Chaplygin proper energy density-pressure relation is studied. The Riemann problem is solved constructively. The delta shock wave arises in the Riemann solutions, provided that the initial data satisfy some certain conditions, although the system is strictly hyperbolic and the first and third characteristic fields are genuinely nonlinear, while the second one is linearly degenerate. There are five kinds of Riemann solutions, in which four only consist of a shock wave and a centered rarefaction wave or two shock waves or two centered rarefaction waves, and a contact discontinuity between the constant states (precisely speaking, the solutions consist in general of three waves), and the other involves delta shocks on which both the rest mass density and the proper energy density simultaneously contain the Dirac delta function. It is quite different from the previous ones on which only one state variable contains the Dirac delta function. The formation mechanism, generalized Rankine-Hugoniot relation and entropy condition are clarified for this type of delta shock wave. Under the generalized Rankine-Hugoniot relation and entropy condition, we establish the existence and uniqueness of solutions involving delta shocks for the Riemann problem.

  12. Massive neutron star with strangeness in a relativistic mean-field model with a high-density cutoff

    Science.gov (United States)

    Zhang, Ying; Hu, Jinniu; Liu, Peng

    2018-01-01

    The properties of neutron stars with the strangeness degree of freedom are studied in the relativistic mean-field (RMF) model via including a logarithmic interaction as a function of the scalar meson field. This interaction, named the σ -cut potential, can largely reduce the attractive contributions of the scalar meson field at high density without any influence on the properties of nuclear structure around the normal saturation density. In this work, the TM1 parameter set is chosen as the RMF interaction, while the strengths of σ -cut potential are constrained by the properties of finite nuclei so that we can obtain a reasonable effective nucleon-nucleon interaction. The hyperons Λ ,Σ , and Ξ are considered in neutron stars within this framework, whose coupling constants with mesons are determined by the latest hyperon-nucleon and Λ -Λ potentials extracted from the available experimental data of hypernuclei. The maximum mass of neutron star can be larger than 2 M⊙ with these hyperons in the present framework. Furthermore, the nucleon mass at high density will be saturated due to this additional σ -cut potential, which is consistent with the conclusions obtained by other calculations such as Brueckner-Hartree-Fock theory and quark mean-field model.

  13. A high-density relativistic reflection origin for the soft and hard X-ray excess emission from Mrk 1044

    Science.gov (United States)

    Mallick, L.; Alston, W. N.; Parker, M. L.; Fabian, A. C.; Pinto, C.; Dewangan, G. C.; Markowitz, A.; Gandhi, P.; Kembhavi, A. K.; Misra, R.

    2018-06-01

    We present the first results from a detailed spectral-timing analysis of a long (˜130 ks) XMM-Newton observation and quasi-simultaneous NuSTAR and Swift observations of the highly-accreting narrow-line Seyfert 1 galaxy Mrk 1044. The broadband (0.3-50 keV) spectrum reveals the presence of a strong soft X-ray excess emission below ˜1.5 keV, iron Kα emission complex at ˜6 -7 keV and a `Compton hump' at ˜15 -30 keV. We find that the relativistic reflection from a high-density accretion disc with a broken power-law emissivity profile can simultaneously explain the soft X-ray excess, highly ionized broad iron line and the Compton hump. At low frequencies ([2 - 6] × 10-5 Hz), the power-law continuum dominated 1.5-5 keV band lags behind the reflection dominated 0.3-1 keV band, which is explained with a combination of propagation fluctuation and Comptonization processes, while at higher frequencies ([1 - 2] × 10-4 Hz), we detect a soft lag which is interpreted as a signature of X-ray reverberation from the accretion disc. The fractional root-mean-squared (rms) variability of the source decreases with energy and is well described by two variable components: a less variable relativistic disc reflection and a more variable direct coronal emission. Our combined spectral-timing analyses suggest that the observed broadband X-ray variability of Mrk 1044 is mainly driven by variations in the location or geometry of the optically thin, hot corona.

  14. Density matrix renormalization group with efficient dynamical electron correlation through range separation

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Knecht, Stefan; Kielberg, Jesper Skau

    2015-01-01

    We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electroncorrelation...... effects in multiconfigurational electronic structure problems....

  15. Bond index: relation to second-order density matrix and charge fluctuations

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.; Jorge, F.E.

    1985-01-01

    It is shown that, in the same way as the atomic charge is an invariant built from the first-order density matrix, the closed-shell generalized bond index is an invariant associated with the second-order reduced density matrix. The active charge of an atom (sum of bond indices) is shown to be the sum of all density correlation functions between it and the other atoms in the molecule; similarly, the self-charge is the fluctuation of its total charge. (Author) [pt

  16. Exact many-body dynamics with stochastic one-body density matrix evolution

    International Nuclear Information System (INIS)

    Lacroix, D.

    2004-05-01

    In this article, we discuss some properties of the exact treatment of the many-body problem with stochastic Schroedinger equation (SSE). Starting from the SSE theory, an equivalent reformulation is proposed in terms of quantum jumps in the density matrix space. The technical details of the derivation a stochastic version of the Liouville von Neumann equation are given. It is shown that the exact Many-Body problem could be replaced by an ensemble of one-body density evolution, where each density matrix evolves according to its own mean-field augmented by a one-body noise. (author)

  17. Matrix density effects on the mechanical properties of SiC fiber-reinforced silicon nitride matrix properties

    Science.gov (United States)

    Bhatt, Ramakrishna T.; Kiser, Lames D.

    1990-01-01

    The room temperature mechanical properties were measured for SiC fiber reinforced reaction-bonded silicon nitride composites (SiC/RBSN) of different densities. The composites consisted of approx. 30 vol percent uniaxially aligned 142 micron diameter SiC fibers (Textron SCS-6) in a reaction-bonded Si3N4 matrix. The composite density was varied by changing the consolidation pressure during RBSN processing and by hot isostatically pressing the SiC/RBSN composites. Results indicate that as the consolidation pressure was increased from 27 to 138 MPa, the average pore size of the nitrided composites decreased from 0.04 to 0.02 microns and the composite density increased from 2.07 to 2.45 gm/cc. Nonetheless, these improvements resulted in only small increases in the first matrix cracking stress, primary elastic modulus, and ultimate tensile strength values of the composites. In contrast, HIP consolidation of SiC/RBSN resulted in a fully dense material whose first matrix cracking stress and elastic modulus were approx. 15 and 50 percent higher, respectively, and ultimate tensile strength values were approx. 40 percent lower than those for unHIPed SiC/RBSN composites. The modulus behavior for all specimens can be explained by simple rule-of-mixture theory. Also, the loss in ultimate strength for the HIPed composites appears to be related to a degradation in fiber strength at the HIP temperature. However, the density effect on matrix fracture strength was much less than would be expected based on typical monolithic Si3N4 behavior, suggesting that composite theory is indeed operating. Possible practical implications of these observations are discussed.

  18. Matrix elements of the electric multiple transition and relativistic correction operators in the case of complex configurations

    International Nuclear Information System (INIS)

    Kanyauskas, Yu.M.; Rudzikas, Z.B.

    1976-01-01

    Operators and their submatrix elements are studied in the framework of the electric multipole transitions of complex atoms with account of relativistic corrections of the order of the square of the fine structure constant. The analysis is performed by means of irreducible tensor operators and genealogical coefficients. It has been assumed that angular momenta of individual shells are coupled with each other according to ls, lk, jk and jj coupling. Formulas are given for the operator which causes the relativistic corrections for the single-electron multipole transition and for its submatrix element in the case of configurations with two unfilled shells. A possibility is discussed of using the formulas suggested for calculation. As follows from analysis, the relativistic correction operators even with the pure ls coupling allow intercombination transitions with ΔS equals +-1. The expressions obtained may turn out to be useful for performing calculations in the case of the intermediate type of coupling

  19. External field as the functional of inhomogeneous density and the density matrix functional approach

    NARCIS (Netherlands)

    Bobrov, V.B.; Trigger, S.A.; Vlasov, Y.P.

    2012-01-01

    Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the

  20. Truncation scheme of time-dependent density-matrix approach II

    Energy Technology Data Exchange (ETDEWEB)

    Tohyama, Mitsuru [Kyorin University School of Medicine, Mitaka, Tokyo (Japan); Schuck, Peter [Institut de Physique Nucleaire, IN2P3-CNRS, Universite Paris-Sud, Orsay (France); Laboratoire de Physique et de Modelisation des Milieux Condenses, CNRS et Universite Joseph Fourier, Grenoble (France)

    2017-09-15

    A truncation scheme of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy for reduced density matrices, where a three-body density matrix is approximated by two-body density matrices, is improved to take into account a normalization effect. The truncation scheme is tested for the Lipkin model. It is shown that the obtained results are in good agreement with the exact solutions. (orig.)

  1. Nanofiber density determines endothelial cell behavior on hydrogel matrix

    Energy Technology Data Exchange (ETDEWEB)

    Berti, Fernanda V., E-mail: fernanda@intelab.ufsc.br [Department of Chemical and Food Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Rambo, Carlos R. [Department of Electrical Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Dias, Paulo F. [Department of Cell Biology, Embryology and Genetics, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Porto, Luismar M. [Department of Chemical and Food Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil)

    2013-12-01

    When cultured under static conditions, bacterial cellulose pellicles, by the nature of the polymer synthesis that involves molecular oxygen, are characterized by two distinct surface sides. The upper surface is denser in fibers (entangled) than the lower surface that shows greater surface porosity. Human umbilical vein endothelial cells (HUVECs) were used to exploit how the microarchitecture (i.e., surface porosity, fiber network structure, surface topology, and fiber density) of bacterial cellulose pellicle surfaces influence cell–biomaterial interaction and therefore cell behavior. Adhesion, cell ingrowth, proliferation, viability and cell death mechanisms were evaluated on the two pellicle surface sides. Cell behavior, including secondary necrosis, is influenced only by the microarchitecture of the surface, since the biomaterial is extremely pure (constituted of cellulose and water only). Cell–cellulose fiber interaction is the determinant signal in the cell–biomaterial responses, isolated from other frequently present interferences such as protein and other chemical traces usually present in cell culture matrices. Our results suggest that microarchitecture of hydrogel materials might determine the performance of biomedical products, such as bacterial cellulose tissue engineering constructs (BCTECs). - Highlights: • Topography of BC pellicle is relevant to determine endothelial cells' fate. • Cell–biomaterial response is affected by the topography of BC-pellicle surface. • Endothelial cells exhibit different behavior depending on the BC topography. • Apoptosis and necrosis of endothelial cells were affected by the BC topography.

  2. Nanofiber density determines endothelial cell behavior on hydrogel matrix

    International Nuclear Information System (INIS)

    Berti, Fernanda V.; Rambo, Carlos R.; Dias, Paulo F.; Porto, Luismar M.

    2013-01-01

    When cultured under static conditions, bacterial cellulose pellicles, by the nature of the polymer synthesis that involves molecular oxygen, are characterized by two distinct surface sides. The upper surface is denser in fibers (entangled) than the lower surface that shows greater surface porosity. Human umbilical vein endothelial cells (HUVECs) were used to exploit how the microarchitecture (i.e., surface porosity, fiber network structure, surface topology, and fiber density) of bacterial cellulose pellicle surfaces influence cell–biomaterial interaction and therefore cell behavior. Adhesion, cell ingrowth, proliferation, viability and cell death mechanisms were evaluated on the two pellicle surface sides. Cell behavior, including secondary necrosis, is influenced only by the microarchitecture of the surface, since the biomaterial is extremely pure (constituted of cellulose and water only). Cell–cellulose fiber interaction is the determinant signal in the cell–biomaterial responses, isolated from other frequently present interferences such as protein and other chemical traces usually present in cell culture matrices. Our results suggest that microarchitecture of hydrogel materials might determine the performance of biomedical products, such as bacterial cellulose tissue engineering constructs (BCTECs). - Highlights: • Topography of BC pellicle is relevant to determine endothelial cells' fate. • Cell–biomaterial response is affected by the topography of BC-pellicle surface. • Endothelial cells exhibit different behavior depending on the BC topography. • Apoptosis and necrosis of endothelial cells were affected by the BC topography

  3. Self-consistency condition and high-density virial theorem in relativistic many-particle systems

    International Nuclear Information System (INIS)

    Kalman, G.; Canuto, V.; Datta, B.

    1976-01-01

    In order for the thermodynamic and kinetic definitions of the chemical potential and the pressure to lead to identical results a nontrivial self-consistency criterion has to be satisfied. This, in turn, leads to a virial-like theorem in the high-density limit

  4. Enhanced relativistic self-focusing of Hermite-cosh-Gaussian laser beam in plasma under density transition

    International Nuclear Information System (INIS)

    Nanda, Vikas; Kant, Niti

    2014-01-01

    Enhanced and early relativistic self-focusing of Hermite-cosh-Gaussian (HChG) beam in the plasmas under density transition has been investigated theoretically using Wentzel-Kramers-Brillouin and paraxial ray approximation for mode indices m=0, 1, and 2. The variation of beam width parameter with normalized propagation distance for m=0, 1, and 2 is reported, and it is observed that strong self-focusing occurs as the HChG beam propagates deeper inside the nonlinear medium as spot size shrinks due to highly dense plasmas and the results are presented graphically. A comparative study between self-focusing of HChG beam in the presence and absence of plasmas density transition is reported. The dependency of beam width parameter on the normalized propagation distance for different values of decentered parameter “b” has also been presented graphically. For m=0 and 1, strong self-focusing is reported for b=1.8, and for m=2 and b=1.8, beam gets diffracted. The results obtained indicate the dependency of the self-focusing of the HChG beam on the selected values of decentered parameter. Moreover, proper selection of decentered parameter results strong self-focusing of HChG beam. Stronger self-focusing of laser beam is observed due to the presence of plasma density transition which might be very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, etc

  5. Enhanced relativistic self-focusing of Hermite-cosh-Gaussian laser beam in plasma under density transition

    Energy Technology Data Exchange (ETDEWEB)

    Nanda, Vikas; Kant, Niti, E-mail: nitikant@yahoo.com [Department of Physics, Lovely Professional University, Phagwara 144411, Punjab (India)

    2014-04-15

    Enhanced and early relativistic self-focusing of Hermite-cosh-Gaussian (HChG) beam in the plasmas under density transition has been investigated theoretically using Wentzel-Kramers-Brillouin and paraxial ray approximation for mode indices m=0, 1, and 2. The variation of beam width parameter with normalized propagation distance for m=0, 1, and 2 is reported, and it is observed that strong self-focusing occurs as the HChG beam propagates deeper inside the nonlinear medium as spot size shrinks due to highly dense plasmas and the results are presented graphically. A comparative study between self-focusing of HChG beam in the presence and absence of plasmas density transition is reported. The dependency of beam width parameter on the normalized propagation distance for different values of decentered parameter “b” has also been presented graphically. For m=0 and 1, strong self-focusing is reported for b=1.8, and for m=2 and b=1.8, beam gets diffracted. The results obtained indicate the dependency of the self-focusing of the HChG beam on the selected values of decentered parameter. Moreover, proper selection of decentered parameter results strong self-focusing of HChG beam. Stronger self-focusing of laser beam is observed due to the presence of plasma density transition which might be very useful in the applications like the generation of inertial fusion energy driven by lasers, laser driven accelerators, etc.

  6. Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules.

    Science.gov (United States)

    Liu, C; Liu, J; Yao, Y X; Wu, P; Wang, C Z; Ho, K M

    2016-10-11

    We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

  7. Bonding and magnetic response properties of several toroid structures. Insights of the role of Ni2S2 as a building block from relativistic density functional theory calculations.

    Science.gov (United States)

    Muñoz-Castro, Alvaro

    2011-10-06

    Relativistic density functional calculations were carried out on several nickel toroid mercaptides of the general formula [Ni(μ-SR)(2)](n), with the aim to characterize and analyze their stability and magnetic response properties, in order to gain more insights into their stabilization and size-dependent behavior. The Ni-ligand interaction has been studied by means projected density of states and energy decomposition analysis, which denotes its stabilizing character. The graphical representation of the response to an external magnetic field is applied for the very first time taking into account the spin-orbit term. This map allows one to clearly characterize the magnetic behavior inside and in the closeness of the toroid structure showing the prescence of paratropic ring currents inside the Ni(n) ring, and by contrast, diatropic currents confined in each Ni(2)S(2) motif denoting an aromatic behavior (in terms of magnetic criteria). The calculated data suggests that the Ni(2)S(2) moiety can be regarded as a stable constructing block, which can afford several toroid structures of different nuclearities in agreement with that reported in the experimental literature. In addition, the effects of the relativistic treatment over the magnetic response properties on these lighter compounds are denoted by comparing nonrelativistic, scalar relativistic, and scalar plus spin-orbit relativistic treatments, showing their acting, although nonpronunced, role.

  8. Explicit treatment of N-body correlations within a density-matrix formalism

    International Nuclear Information System (INIS)

    Shun-Jin, W.; Cassing, W.

    1985-01-01

    The nuclear many-body problem is reformulated in the density-matrix approach such that n-body correlations are separated out from the reduced density matrix rho/sub n/. A set of equations for the time evolution of the n-body correlations c/sub n/ is derived which allows for physically transparent truncations with respect to the order of correlations. In the stationary limit (c/sub n/ = 0) a restriction to two-body correlations yields a generalized Bethe-Goldstone equation a restriction to body correlations yields generalized Faddeev equations in the density-matrix formulation. Furthermore it can be shown that any truncation of the set of equations (c/sub n/ = 0, n>m) is compatible with conservation laws, a quality which in general is not fulfilled if higher order correlations are treated perturbatively

  9. Formation time of hadrons and density of matter produced in relativistic heavy-ion collisions

    International Nuclear Information System (INIS)

    Pisut, J.; Zavada, P.

    1994-06-01

    Densities of interacting hadronic matter produced in Oxygen-Lead and Sulphur-Lead collisions at 200 GeV/nucleon are estimated as a function of the formation time of hadrons. Uncertainties in our knowledge of the critical temperature T c and of the formation time of hadrons τ 0 permit at present three scenarios: an optimistic one (QGP has already been produced in collisions of Oxygen and Sulphur with heavy ions and will be copiously in Lead collisions), a pessimistic one (QGP cannot be produced at 200 GeV/nucleon) and an intermediate one (QGP has not been produced in Oxygen and Sulphur Interactions with heavy ions and will be at best produced only marginally in Pb-collisions). The last option is found to be the most probable. (author)

  10. Magnetic anisotropy of heteronuclear dimers in the gas phase and supported on graphene: relativistic density-functional calculations.

    Science.gov (United States)

    Błoński, Piotr; Hafner, Jürgen

    2014-04-09

    The structural and magnetic properties of mixed PtCo, PtFe, and IrCo dimers in the gas phase and supported on a free-standing graphene layer have been calculated using density-functional theory, both in the scalar-relativistic limit and self-consistently including spin-orbit coupling. The influence of the strong magnetic moments of the 3d atoms on the spin and orbital moments of the 5d atoms, and the influence of the strong spin-orbit coupling contributed by the 5d atom on the orbital moments of the 3d atoms have been studied in detail. The magnetic anisotropy energy is found to depend very sensitively on the nature of the eigenstates in the vicinity of the Fermi level, as determined by band filling, exchange splitting and spin-orbit coupling. The large magnetic anisotropy energy of free PtCo and IrCo dimers relative to the easy direction parallel to the dimer axis is coupled to a strong anisotropy of the orbital magnetic moments of the Co atom for both dimers, and also on the Ir atom in IrCo. In contrast the PtFe dimer shows a weak perpendicular anisotropy and only small spin and orbital anisotropies of opposite sign on the two atoms. For dimers supported on graphene, the strong binding within the dimer and the stronger interaction of the 3d atom with the substrate stabilizes an upright geometry. Spin and orbital moments on the 3d atom are strongly quenched, but due to the weaker binding within the dimer the properties of the 5d atom are more free-atom-like with increased spin and orbital moments. The changes in the magnetic moment are reflected in the structure of the electronic eigenstates near the Fermi level, for all three dimers the easy magnetic direction is now parallel to the dimer axis and perpendicular to the graphene layer. The already very large magnetic anisotropy energy (MAE) of IrCo is further enhanced by the interaction with the support, the MAE of PtFe changes sign, and that of the PtCo dimer is reduced. These changes are discussed in relation to

  11. Effects of matrix elasticity and cell density on human mesenchymal stem cells differentiation.

    Science.gov (United States)

    Xue, Ruyue; Li, Julie Yi-Shuan; Yeh, Yiting; Yang, Li; Chien, Shu

    2013-09-01

    Human mesenchymal stem cells (hMSCs) can differentiate into various cell types, including osteogenic and chondrogenic cells. The matrix elasticity and cell seeding density are important factors in hMSCs differentiation. We cultured hMSCs at different seeding densities on polyacrylamide hydrogels with different stiffness corresponding to Young's moduli of 1.6 ± 0.3 and 40 ± 3.6 kPa. The promotion of osteogenic marker expression by hard gel is overridden by a high seeding density. Cell seeding density, however, did not influence the chondrogenic marker expressions induced by soft gel. These findings suggest that interplays between cell-matrix and cell-cell interactions contribute to hMSCs differentiation. The promotion of osteogenic differentiation on hard matrix was shown to be mediated through the Ras pathway. Inhibition of Ras (RasN17) significantly decreased ERK, Smad1/5/8 and AKT activation, and osteogenic markers expression. However, constitutively active Ras (RasV12) had little effect on osteogenic marker expression, suggesting that the Ras pathways are necessary but not sufficient for osteogenesis. Taken together, our results indicate that matrix elasticity and cell density are important microenvironmental cues driving hMSCs proliferation and differentiation. Copyright © 2013 Orthopaedic Research Society.

  12. Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

    Science.gov (United States)

    Cawkwell, M J; Sanville, E J; Mniszewski, S M; Niklasson, Anders M N

    2012-11-13

    The self-consistent solution of a Schrödinger-like equation for the density matrix is a critical and computationally demanding step in quantum-based models of interatomic bonding. This step was tackled historically via the diagonalization of the Hamiltonian. We have investigated the performance and accuracy of the second-order spectral projection (SP2) algorithm for the computation of the density matrix via a recursive expansion of the Fermi operator in a series of generalized matrix-matrix multiplications. We demonstrate that owing to its simplicity, the SP2 algorithm [Niklasson, A. M. N. Phys. Rev. B2002, 66, 155115] is exceptionally well suited to implementation on graphics processing units (GPUs). The performance in double and single precision arithmetic of a hybrid GPU/central processing unit (CPU) and full GPU implementation of the SP2 algorithm exceed those of a CPU-only implementation of the SP2 algorithm and traditional matrix diagonalization when the dimensions of the matrices exceed about 2000 × 2000. Padding schemes for arrays allocated in the GPU memory that optimize the performance of the CUBLAS implementations of the level 3 BLAS DGEMM and SGEMM subroutines for generalized matrix-matrix multiplications are described in detail. The analysis of the relative performance of the hybrid CPU/GPU and full GPU implementations indicate that the transfer of arrays between the GPU and CPU constitutes only a small fraction of the total computation time. The errors measured in the self-consistent density matrices computed using the SP2 algorithm are generally smaller than those measured in matrices computed via diagonalization. Furthermore, the errors in the density matrices computed using the SP2 algorithm do not exhibit any dependence of system size, whereas the errors increase linearly with the number of orbitals when diagonalization is employed.

  13. Reduced one-body density matrix of Tonks–Girardeau gas at finite temperature

    International Nuclear Information System (INIS)

    Fu Xiao-Chen; Hao Ya-Jiang

    2015-01-01

    With thermal Bose–Fermi mapping method, we investigate the Tonks–Girardeau gas at finite temperature. It is shown that at low temperature, the Tonks gas displays the Fermi-like density profiles, and with the increase in temperature, the Tonks gas distributes in wider region. The reduced one-body density matrix is diagonal dominant in the whole temperature region, and the off-diagonal elements shall vanish rapidly with the deviation from the diagonal part at high temperature. (paper)

  14. 2.5-dimensional numerical modeling of the formation of a plasma channel due to ion redistribution during the propagation of a finite sequence of relativistic electron bunches through high-density and low-density plasmas

    International Nuclear Information System (INIS)

    Karas, V.I.; Karas, I.V.; Levchenko, V.D.; Sigov, Yu.S.; Fainberg, Ya.B.

    1997-01-01

    Results of numerical simulations of the excitation of wake fields in high- and low-density plasmas are presented. The propagation of relativistic electron bunches in a plasma is described by a closed set of relativistic Vlasov equations for two spatial coordinates and three velocity coordinates for each plasma component and the nonlinear Maxwell equations for self-consistent electromagnetic fields. Numerical modeling shows that, under ordinary experimental conditions (when the length and radius of the bunch are much less than the skin depth), the radius of the bunches propagating in a plasma varies over a wide range. In this case, the dynamics of both the plasma and the bunches is nonlinear. The radial redistribution of the plasma ions in self-consistent fields leads to the formation of a plasma channel. Incorporating this phenomenon is important for studying the propagation of relativistic electron bunches in a plasma

  15. Liouville equation of relativistic charged fermion

    International Nuclear Information System (INIS)

    Wang Renchuan; Zhu Dongpei; Huang Zhuoran; Ko Che-ming

    1991-01-01

    As a form of density martrix, the Wigner function is the distribution in quantum phase space. It is a 2 X 2 matrix function when one uses it to describe the non-relativistic fermion. While describing the relativistic fermion, it is usually represented by 4 x 4 matrix function. In this paper authors obtain a Wigner function for the relativistic fermion in the form of 2 x 2 matrix, and the Liouville equation satisfied by the Wigner function. this equivalent to the Dirac equation of changed fermion in QED. The equation is also equivalent to the Dirac equation in the Walecka model applied to the intermediate energy nuclear collision while the nucleon is coupled to the vector meson only (or taking mean field approximation for the scalar meson). Authors prove that the 2 x 2 Wigner function completely describes the quantum system just the same as the relativistic fermion wave function. All the information about the observables can be obtained with above Wigner function

  16. Relativistic particle in a box

    OpenAIRE

    Alberto, P.; Fiolhais, Carlos; Gil, Victor

    1996-01-01

    The problem of a relativistic spin 1/2 particle confined to a one-dimensional box is solved in a way that resembles closely the solution of the well known quantum-mechanical textbook problem of a non-relativistic particle in a box. The energy levels and probability density are computed and compared with the non-relativistic case

  17. Collagen Matrix Density Drives the Metabolic Shift in Breast Cancer Cells

    Directory of Open Access Journals (Sweden)

    Brett A. Morris

    2016-11-01

    Full Text Available Increased breast density attributed to collagen I deposition is associated with a 4–6 fold increased risk of developing breast cancer. Here, we assessed cellular metabolic reprogramming of mammary carcinoma cells in response to increased collagen matrix density using an in vitro 3D model. Our initial observations demonstrated changes in functional metabolism in both normal mammary epithelial cells and mammary carcinoma cells in response to changes in matrix density. Further, mammary carcinoma cells grown in high density collagen matrices displayed decreased oxygen consumption and glucose metabolism via the tricarboxylic acid (TCA cycle compared to cells cultured in low density matrices. Despite decreased glucose entry into the TCA cycle, levels of glucose uptake, cell viability, and ROS were not different between high and low density matrices. Interestingly, under high density conditions the contribution of glutamine as a fuel source to drive the TCA cycle was significantly enhanced. These alterations in functional metabolism mirrored significant changes in the expression of metabolic genes involved in glycolysis, oxidative phosphorylation, and the serine synthesis pathway. This study highlights the broad importance of the collagen microenvironment to cellular expression profiles, and shows that changes in density of the collagen microenvironment can modulate metabolic shifts of cancer cells.

  18. A density matrix renormalization group study of low-lying excitations ...

    Indian Academy of Sciences (India)

    Symmetrized density-matrix-renormalization-group calculations have been carried out, within Pariser-Parr-Pople Hamiltonian, to explore the nature of the ground and low-lying excited states of long polythiophene oligomers. We have exploited 2 symmetry and spin parity of the system to obtain excited states of ...

  19. On the statistical interpretation of quantum mechanics: evolution of the density matrix

    International Nuclear Information System (INIS)

    Benzecri, J.P.

    1986-01-01

    Without attempting to identify ontological interpretation with a mathematical structure, we reduce philosophical speculation to five theses. In the discussion of these, a central role is devoted to the mathematical problem of the evolution of the density matrix. This article relates to the first 3 of these 5 theses [fr

  20. On the statistical interpretation of quantum mechanics: evolution of the density matrix

    International Nuclear Information System (INIS)

    Benzecri, J.-P.

    1986-01-01

    Using two classical examples (the Young slit experiment and coherent and incoherent crystal diffraction of neutrons) we show in a general framework, that for a system viewed as consisting of two components, depolarisation of the density matrix by one of these can result from the application of the Schroedinger equation to the global system [fr

  1. Spin observables in antiproton-proton to AntiLambda-Lambda and density-matrix constraints

    OpenAIRE

    Elchikh, Mokhtar; Richard, Jean-Marc

    2005-01-01

    The positivity conditions of the spin density matrix constrain the spin observables of the reaction antiproton-proton to AntiLambda-Lambda, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided.

  2. Spin observables in p-barp → ΛΛ and density-matrix constraints

    International Nuclear Information System (INIS)

    Elchikh, Mokhtar; Richard, Jean-Marc

    2005-01-01

    The positivity conditions of the spin density matrix constrain the spin observables of the reaction p-barp → Λ-barΛ, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided

  3. TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS

    NARCIS (Netherlands)

    MAVRI, J; BERENDSEN, HJC

    1994-01-01

    A density matrix evolution (DME) method (H.J.C. Berendsen and J. Mavri, J. Phys. Chem., 97 (1993) 13469) to simulate the dynamics of quantum systems embedded in a classical environment is presented. The DME method allows treatment of nonadiabatic transitions. As numerical examples the collinear

  4. The problem of the universal density functional and the density matrix functional theory

    NARCIS (Netherlands)

    Bobrov, V.B.; Trigger, S.A.

    2013-01-01

    The analysis in this paper shows that the Hohenberg-Kohn theorem is the constellation of two statements: (i) the mathematically rigorous Hohenberg-Kohn lemma, which demonstrates that the same ground-state density cannot correspond to two different potentials of an external field, and (ii) the

  5. Single-particle density matrix and superfluidity in the two-dimensional Bose Coulomb fluid

    International Nuclear Information System (INIS)

    Minguzzi, A.; Tosi, M.P.; Davoudi, B.

    2002-01-01

    A study by Magro and Ceperley [Phys. Rev. Lett. 73, 826 (1994)] has shown that the ground state of the two-dimensional fluid of charged bosons with logarithmic interactions is not Bose condensed, but exhibits algebraic off-diagonal order in the single-particle density matrix ρ(r). We use a hydrodynamic Hamiltonian expressed in terms of density and phase operators, in combination with an f-sum rule on the superfluid fraction, to reproduce these results and to extend the evaluation of the density matrix to finite temperature T. This approach allows us to treat the liquid as a superfluid in the absence of a condensate. The algebraic decay of the one-body density matrix is due to correlations between phase fluctuations, and we find that the exponent in the power law is determined by the superfluid density n s (T). We also find that the plasmon gap in the single-particle energy spectrum at long wavelengths decreases with increasing T and closes at the critical temperature for the onset of superfluidity

  6. Postsynaptic density protein 95 in the striosome and matrix compartments of the human neostriatum.

    Directory of Open Access Journals (Sweden)

    Ryoma eMorigaki

    2015-11-01

    Full Text Available The human neostriatum consists of two functional subdivisions referred to as the striosome (patch and matrix compartments. The striosome-matrix dopamine systems play a central role in cortico-thalamo-basal ganglia circuits, and their involvement is thought to underlie the genesis of multiple movement and behavioral disorders, and of drug addiction. Human neuropathology also has shown that striosomes and matrix have differential vulnerability patterns in several striatal neurodegenerative diseases. Postsynaptic density protein 95 (PSD-95, also known as DLG4, is a major scaffolding protein in the postsynaptic densities of dendritic spines. PSD-95 is now known to negatively regulate not only N-methyl-D-aspartate glutamate signaling, but also dopamine D1 signals at sites of postsynaptic transmission. Accordingly, a neuroprotective role for PSD-95 against dopamine D1 receptor (D1R-mediated neurotoxicity in striatal neurodegeneration also has been suggested. Here, we used a highly sensitive immunohistochemistry technique to show that in the human neostriatum, PSD-95 is differentially concentrated in the striosome and matrix compartments, with a higher density of PSD-95 labeling in the matrix compartment than in the striosomes. This compartment-specific distribution of PSD-95 was strikingly complementary to that of D1R. In addition to the possible involvement of PSD-95-mediated synaptic function in compartment-specific dopamine signals, we suggest that the striosomes might be more susceptible to D1R-mediated neurotoxicity than the matrix compartment. This notion may provide new insight into the compartment-specific vulnerability of MSNs in striatal neurodegeneration.

  7. Links between matrix bulk density, macropore characteristics and hydraulic behavior of soils

    DEFF Research Database (Denmark)

    Katuwal, Sheela; Møldrup, Per; Lamandé, Mathieu

    2013-01-01

    characteristics on soil hydraulic functions has rarely been studied. With the objective of studying the links between these parameters we quantified macropore characteristics of intact soil columns (19 cm diameter x 20 cm high) from two agricultural field sites (Silstrup and Faardrup) in Denmark using coarse...... resolution X-ray CT and linked them with laboratory measurements of air permeability and leaching experiment. In addition to macropore characteristics, we also quantified the CT-number of the matrix as a measure of the bulk density of the matrix, i.e., excluding macropores in the soil. Soils from the two...

  8. Microscopically based energy density functionals for nuclei using the density matrix expansion. II. Full optimization and validation

    Science.gov (United States)

    Navarro Pérez, R.; Schunck, N.; Dyhdalo, A.; Furnstahl, R. J.; Bogner, S. K.

    2018-05-01

    Background: Energy density functional methods provide a generic framework to compute properties of atomic nuclei starting from models of nuclear potentials and the rules of quantum mechanics. Until now, the overwhelming majority of functionals have been constructed either from empirical nuclear potentials such as the Skyrme or Gogny forces, or from systematic gradient-like expansions in the spirit of the density functional theory for atoms. Purpose: We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral effective field theory. We propose a parametrization of this functional carefully calibrated and validated on selected ground-state properties that is suitable for large-scale calculations of nuclear properties. Methods: Our energy functional comprises two main components. The first component is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. Contributions to the mean field and the energy of this term are computed by expanding the spatial, finite-range components of the chiral potential onto Gaussian functions. The second component is a local functional of the density and is obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply the UNEDF2 optimization protocol to determine the coupling constants of this energy functional. Results: We obtain a set of microscopically constrained functionals for local chiral potentials from leading order up to next-to-next-to-leading order with and without three-body forces and contributions from Δ excitations. These functionals are validated on the calculation of nuclear and neutron matter, nuclear mass tables, single-particle shell structure

  9. The density matrix renormalization group method. Application to the EPP model of a cyclic polyene chain

    International Nuclear Information System (INIS)

    Fano, G.; Ortolani, F.; Ziosi, L.

    1997-10-01

    The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two adjacent fragments A,B. A density matrix ρ is introduced, whose eigenvectors corresponding to the largest eigenvalues are the most significant, the most probable states of A in the presence of B; these states are retained, while states corresponding to small eigenvalues of ρ are neglected. It is conjectured that the decreasing behaviour of the eigenvalues is gaussian. The DMRG method is tested on the Pariser-Parr-Pople Hamiltonian of a cyclic polyene (CH) N up to N = 34. A Hilbert space of dimension 5. x 10 18 is explored. The ground state energy is 10 -3 eV within the full Cl value in the case N = 18. The DMRG method compares favourably also with coupled cluster approximations. The unrestricted Hartree-Fock solution (which presents spin density waves) is briefly reviewed, and a comparison is made with the DMRG energy values. Finally, the spin-spin and density-density correlation functions are computed; the results suggest that the antiferromagnetic order of the exact solution does not extend up to large distances but exists locally. No charge density waves are present. (author)

  10. Obtaining Hartree-Fock and density functional theory doubly excited states with Car-Parrinello density matrix search

    Science.gov (United States)

    Liang, Wenkel; Isborn, Christine M.; Li, Xiaosong

    2009-11-01

    The calculation of doubly excited states is one of the major problems plaguing the modern day excited state workhorse methodology of linear response time dependent Hartree-Fock (TDHF) and density function theory (TDDFT). We have previously shown that the use of a resonantly tuned field within real-time TDHF and TDDFT is able to simultaneously excite both the α and β electrons to achieve the two-electron excited states of minimal basis H2 and HeH+ [C. M. Isborn and X. Li, J. Chem. Phys. 129, 204107 (2008)]. We now extend this method to many electron systems with the use of our Car-Parrinello density matrix search (CP-DMS) with a first-principles fictitious mass method for wave function optimization [X. Li, C. L. Moss, W. Liang, and Y. Feng, J. Chem. Phys. 130, 234115 (2009)]. Real-time TDHF/TDDFT is used during the application of the laser field perturbation, driving the electron density toward the doubly excited state. The CP-DMS method then converges the density to the nearest stationary state. We present these stationary state doubly excited state energies and properties at the HF and DFT levels for H2, HeH+, lithium hydride, ethylene, and butadiene.

  11. Correlated random-phase approximation from densities and in-medium matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Trippel, Richard; Roth, Robert [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)

    2016-07-01

    The random-phase approximation (RPA) as well as the second RPA (SRPA) are established tools for the study of collective excitations in nuclei. Addressing the well known lack of correlations, we derived a universal framework for a fully correlated RPA based on the use of one- and two-body densities. We apply densities from coupled cluster theory and investigate the impact of correlations. As an alternative approach to correlations we use matrix elements transformed via in-medium similarity renormalization group (IM-SRG) in combination with RPA and SRPA. We find that within SRPA the use of IM-SRG matrix elements leads to the disappearance of instabilities of low-lying states. For the calculations we use normal-ordered two- plus three-body interactions derived from chiral effective field theory. We apply different Hamiltonians to a number of doubly-magic nuclei and calculate electric transition strengths.

  12. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

    Science.gov (United States)

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

    2010-01-14

    We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

  13. Metal-insulator transition in disordered systems from the one-body density matrix

    DEFF Research Database (Denmark)

    Olsen, Thomas; Resta, Raffaele; Souza, Ivo

    2017-01-01

    The insulating state of matter can be probed by means of a ground state geometrical marker, which is closely related to the modern theory of polarization (based on a Berry phase). In the present work we show that this marker can be applied to determine the metal-insulator transition in disordered...... the one-body density matrix. The approach has a general ab initio formulation and could in principle be applied to realistic disordered materials by standard electronic structure methods....... systems. In particular, for noninteracting systems the geometrical marker can be obtained from the configurational average of the norm-squared one-body density matrix, which can be calculated within open as well as periodic boundary conditions. This is in sharp contrast to a classification based...

  14. Homocomposites of chopped fluorinated polyethylene fiber with low-density polyethylene matrix

    International Nuclear Information System (INIS)

    Maity, J.; Jacob, C.; Das, C.K.; Alam, S.; Singh, R.P.

    2008-01-01

    Conventional composites are generally prepared by adding reinforcing agent to a matrix and the matrix wherein the reinforcing agents are different in chemical composition with the later having superior mechanical properties. This work presents the preparation and properties of homocomposites consisting of a low-density polyethylene (LDPE) matrix and an ultra high molecular weight polyethylene (UHMWPE) fiber reinforcing phase. Direct fluorination is an important surface modification process by which only a thin upper layer is modified, the bulk properties of the polymer remaining unchanged. In this work, surface fluorination of UHMWPE fiber was done and then fiber characterization was performed. It was observed that after fluorination the fiber surface became rough. Composites were then prepared using both fluorinated and non-fluorinated polyethylene fiber with a low-density polyethylene (LDPE) matrix to prepare single polymer composites. It was found that the thermal stability and mechanical properties were improved for fluorinated fiber composites. X-ray diffraction (XRD) analysis showed that the crystallinity of the composites increased and it is maximum for fluorinated fiber composites. Tensile strength (TS) and modulus also increased while elongation at break (EB) decreased for fiber composites and was a maximum for fluorinated fiber composites. Scanning electron microscopic analysis indicates that that the distribution of fiber into the matrix is homogeneous. It also indicates the better adhesion between the matrix and the reinforcing agent for modified fiber composites. We also did surface fluorination of the prepared composites and base polymer for knowing its application to different fields such as printability wettability, etc. To determine the various properties such as printability, wettability and adhesion properties, contact angle measurement was done. It was observed that the surface energies of surface modified composites and base polymer increases

  15. Spatial charge motion on an uniform density matrix-general equations in opened and closed circuits

    International Nuclear Information System (INIS)

    Aguiar Monsanto, S. de.

    1983-01-01

    The motion of a space charge cloud embedded in a matrix of constant immobile charge density is studied in open as well as in closed circuit. In the first case, open circuit, the solution is almost trivial as compared as the other one in which, after some work, the problem is reduced to an ordinary differential equation. The method of solution is parallel to that employed in the study of monopolar free space charge motion. The voltage and the current produced by a system with no net charge but with unbalanced local charge density were calculated using the general equations derived in the first part of the work. (Author) [pt

  16. A simplified density matrix minimization for linear scaling self-consistent field theory

    International Nuclear Information System (INIS)

    Challacombe, M.

    1999-01-01

    A simplified version of the Li, Nunes and Vanderbilt [Phys. Rev. B 47, 10891 (1993)] and Daw [Phys. Rev. B 47, 10895 (1993)] density matrix minimization is introduced that requires four fewer matrix multiplies per minimization step relative to previous formulations. The simplified method also exhibits superior convergence properties, such that the bulk of the work may be shifted to the quadratically convergent McWeeny purification, which brings the density matrix to idempotency. Both orthogonal and nonorthogonal versions are derived. The AINV algorithm of Benzi, Meyer, and Tuma [SIAM J. Sci. Comp. 17, 1135 (1996)] is introduced to linear scaling electronic structure theory, and found to be essential in transformations between orthogonal and nonorthogonal representations. These methods have been developed with an atom-blocked sparse matrix algebra that achieves sustained megafloating point operations per second rates as high as 50% of theoretical, and implemented in the MondoSCF suite of linear scaling SCF programs. For the first time, linear scaling Hartree - Fock theory is demonstrated with three-dimensional systems, including water clusters and estane polymers. The nonorthogonal minimization is shown to be uncompetitive with minimization in an orthonormal representation. An early onset of linear scaling is found for both minimal and double zeta basis sets, and crossovers with a highly optimized eigensolver are achieved. Calculations with up to 6000 basis functions are reported. The scaling of errors with system size is investigated for various levels of approximation. copyright 1999 American Institute of Physics

  17. Reduced density matrix embedding. General formalism and inter-domain correlation functional.

    Science.gov (United States)

    Pernal, Katarzyna

    2016-08-03

    An embedding method for a one-electron reduced density matrix (1-RDM) is proposed. It is based on partitioning of 1-RDM into domains and describing each domain in the effective potential of the other ones. To assure N-representability of the total 1-RDM N-representability and strong-orthogonality conditions are imposed on the domains. The total energy is given as a sum of single-domain energies and domain-domain electron interaction contributions. Higher than two-body inter-domain interaction terms are neglected. The two-body correlation terms are approximated by deriving inter-domain correlation from couplings of density fluctuations of two domains at a time. Unlike in most density embedding methods kinetic energy is treated exactly and it is not required that densities pertaining to the domains are only weakly overlapping. We propose to treat each domain by a corrected perfect-pairing functional. On a few examples it is shown that the embedding reduced density matrix functional method (ERDMF) yields excellent results for molecules that are well described by a single Lewis structure even if strong static intra-domain or dynamic inter-domain correlation effects must be accounted for.

  18. Off-diagonal helicity density matrix elements for vector mesons produced at LEP

    International Nuclear Information System (INIS)

    Anselmino, M.; Bertini, M.; Quintairos, P.

    1997-05-01

    Final state q q-bar interactions may give origin to non zero values of the off-diagonal element ρ 1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ and D * 's. Predictions are given for ρ1,-1 of several mesons produced at large z and small PT, collinear with the parent jet; the values obtained for θ and D * are in agreement with data. (author)

  19. Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

    Directory of Open Access Journals (Sweden)

    Ольга Юрьевна Хецелиус

    2014-11-01

    Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

  20. Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

    Science.gov (United States)

    Mosquera, Martín A.

    2017-10-01

    Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.

  1. Relativistic self-focusing of ultra-high intensity X-ray laser beams in warm quantum plasma with upward density profile

    International Nuclear Information System (INIS)

    Habibi, M.; Ghamari, F.

    2014-01-01

    The results of a numerical study of high-intensity X-ray laser beam interaction with warm quantum plasma (WQP) are presented. By means of an upward ramp density profile combined with quantum factors specially the Fermi velocity, we have demonstrated significant relativistic self-focusing (RSF) of a Gaussian electromagnetic beam in the WQP where the Fermi temperature term in the dielectric function is important. For this purpose, we have considered the quantum hydrodynamics model that modifies refractive index of inhomogeneous WQPs with the inclusion of quantum correction through the quantum statistical and diffraction effects in the relativistic regime. Also, to better illustration of the physical difference between warm and cold quantum plasmas and their effect on the RSF, we have derived the envelope equation governing the spot size of X-ray laser beam in Q-plasmas. In addition to the upward ramp density profile, we have found that the quantum effects would be caused much higher oscillation and better focusing of X-ray laser beam in the WQP compared to that of cold quantum case. Our computational results reveal the importance of the use of electrons density profile and Fermi speed in enhancing self-focusing of laser beam

  2. Extending the range of real time density matrix renormalization group simulations

    Science.gov (United States)

    Kennes, D. M.; Karrasch, C.

    2016-03-01

    We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement these modifications within any standard matrix product state (MPS) based formulation of the method. Most importantly, we show how to 'combine' the Schrödinger and Heisenberg time evolutions of arbitrary pure states | ψ 〉 and operators A in the evaluation of 〈A〉ψ(t) = 〈 ψ | A(t) | ψ 〉 . This includes quantum quenches. The generalization to (non-)thermal mixed state dynamics 〈A〉ρ(t) =Tr [ ρA(t) ] induced by an initial density matrix ρ is straightforward. In the context of linear response (ground state or finite temperature T > 0) correlation functions, one can extend the simulation time by a factor of two by 'exploiting time translation invariance', which is efficiently implementable within MPS DMRG. We present a simple analytic argument for why a recently-introduced disentangler succeeds in reducing the effort of time-dependent simulations at T > 0. Finally, we advocate the python programming language as an elegant option for beginners to set up a DMRG code.

  3. Splitting of the spectral radiation density maximum for relativistic positrons moving through a single crystal near the crystallographic axis

    International Nuclear Information System (INIS)

    Adejshvili, D.I.; Anufriev, O.V.; Bochek, G.L.; Vit'ko, V.I.; Kovalenko, G.D.; Nikolajchuk, L.I.; Khizhnyak, N.A.; Shramenko, B.I.

    1986-01-01

    The fast particle radiation is studied on the basis of the periodic potential model which takes into account the discrete structure of atomic strings or planes along the channel direction. Results of the experiments on the linear accelerator on radiation of relativistic 1035 and 1050 MeV positrons in the diamond (axis 110) and silicon (axis 111) single crystals, respectively, are in good agreement with calculated data

  4. Consolidation of titanium matrix composites to maximum density by different hot pressing techniques

    International Nuclear Information System (INIS)

    Montealegre Melendez, I.; Neubauer, E.; Danninger, H.

    2010-01-01

    In this present work, TiMMCs were manufactured through conventional and inductive hot pressing techniques. The starting materials were two titanium based powders as metal matrices, and two types of reinforcements, carbon nanofibres and nano-micro-boron particles. After several manufacturing runs with varying parameters, especially, optimized hot pressing parameters, the titanium compacts were characterized. Density and hardness measurements, chemical analyses and microstructural studies were conducted. The two objectives of this work were achieved. On one hand the influence, in the properties of TiMMCs, of the starting materials as matrix powder and reinforcements was determined. Higher content of impurities from the starting materials affected the hardness and the microstructure of the composites, independently of the manufacturing process. On another hand, the study of variations of the manufacturing process as temperature of consolidation and soaking time was reported. Higher densification was obtained at higher consolidation temperature; however, reaction between the matrix and the carbonaceous reinforcement was detected.

  5. Relativistic equations

    International Nuclear Information System (INIS)

    Gross, F.

    1986-01-01

    Relativistic equations for two and three body scattering are discussed. Particular attention is paid to relativistic three body kinetics because of recent form factor measurements of the Helium 3 - Hydrogen 3 system recently completed at Saclay and Bates and the accompanying speculation that relativistic effects are important for understanding the three nucleon system. 16 refs., 4 figs

  6. Comment on "Nonuniqueness of algebraic first-order density-matrix functionals"

    Science.gov (United States)

    Gritsenko, O. V.

    2018-02-01

    Wang and Knowles (WK) [Phys. Rev. A 92, 012520 (2015), 10.1103/PhysRevA.92.012520] have given a counterexample to the conventional in reduced density-matrix functional theory representation of the second-order reduced density matrix (2RDM) Γi j ,k l in the basis of the natural orbitals as a function Γi j ,k l(n ) of the orbital occupation numbers (ONs) ni. The observed nonuniqueness of Γi j ,k l for prototype systems of different symmetry has been interpreted as the inherent inability of ON functions to reproduce the 2RDM, due to the insufficient information contained in the 1RDM spectrum. In this Comment, it is argued that, rather than totally invalidating Γi j ,k l(n ) , the WK example exposes its symmetry dependence which, as well as the previously established analogous dependence in density functional theory, is demonstrated with a general formulation based on the Levy constrained search.

  7. Relativistic magnetohydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, Juan; Kovtun, Pavel [Department of Physics and Astronomy, University of Victoria,Victoria, BC, V8P 5C2 (Canada)

    2017-05-02

    We present the equations of relativistic hydrodynamics coupled to dynamical electromagnetic fields, including the effects of polarization, electric fields, and the derivative expansion. We enumerate the transport coefficients at leading order in derivatives, including electrical conductivities, viscosities, and thermodynamic coefficients. We find the constraints on transport coefficients due to the positivity of entropy production, and derive the corresponding Kubo formulas. For the neutral state in a magnetic field, small fluctuations include Alfvén waves, magnetosonic waves, and the dissipative modes. For the state with a non-zero dynamical charge density in a magnetic field, plasma oscillations gap out all propagating modes, except for Alfvén-like waves with a quadratic dispersion relation. We relate the transport coefficients in the “conventional” magnetohydrodynamics (formulated using Maxwell’s equations in matter) to those in the “dual” version of magnetohydrodynamics (formulated using the conserved magnetic flux).

  8. A parton shower based on factorization of the quantum density matrix

    OpenAIRE

    Nagy, Zoltan; Soper, Davison E.

    2014-01-01

    We present first results from a new parton shower event generator, D eductor . Anticipating a need for an improved treatment of parton color and spin, the structure of the generator is based on the quantum density matrix in color and spin space. So far, D eductor implements only a standard spin-averaged treatment of spin in parton splittings. Although D eductor implements an improved treatment of color, in this paper we present results in the standard leading color approximation so that we ca...

  9. Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution

    DEFF Research Database (Denmark)

    Merlot, Patrick; Izsak, Robert; Borgoo, Alex

    2014-01-01

    Three new variants of the auxiliary-density-matrix method (ADMM) of Guidon, Hutter, and VandeVondele [J. Chem. Theory Comput. 6, 2348 (2010)] are presented with the common feature thatthey have a simplified constraint compared with the full orthonormality requirement of the earlier ADMM1 method. ....... All ADMM variants are tested for accuracy and performance in all-electron B3LYP calculations with several commonly used basis sets. The effect of the choice of the exchange functional for the ADMM exchange–correction term is also investigated....

  10. Density matrix renormalization group for a highly degenerate quantum system: Sliding environment block approach

    Science.gov (United States)

    Schmitteckert, Peter

    2018-04-01

    We present an infinite lattice density matrix renormalization group sweeping procedure which can be used as a replacement for the standard infinite lattice blocking schemes. Although the scheme is generally applicable to any system, its main advantages are the correct representation of commensurability issues and the treatment of degenerate systems. As an example we apply the method to a spin chain featuring a highly degenerate ground-state space where the new sweeping scheme provides an increase in performance as well as accuracy by many orders of magnitude compared to a recently published work.

  11. Differential cross sections and spin density matrix elements for the reaction gamma p -> p omega

    Energy Technology Data Exchange (ETDEWEB)

    M. Williams, D. Applegate, M. Bellis, C.A. Meyer

    2009-12-01

    High-statistics differential cross sections and spin density matrix elements for the reaction gamma p -> p omega have been measured using the CLAS at Jefferson Lab for center-of-mass (CM) energies from threshold up to 2.84 GeV. Results are reported in 112 10-MeV wide CM energy bins, each subdivided into cos(theta_CM) bins of width 0.1. These are the most precise and extensive omega photoproduction measurements to date. A number of prominent structures are clearly present in the data. Many of these have not previously been observed due to limited statistics in earlier measurements.

  12. Spin Density Matrix Elements in exclusive production of ω mesons at Hermes

    Directory of Open Access Journals (Sweden)

    Marianski B.

    2014-03-01

    Full Text Available Spin density matrix elements have been determined for exclusive ω meson production on hydrogen and deuterium targets, in the kinematic region of 1.0 < Q2 < 10.0 GeV2, 3.0 < W < 6.3 GeV and –t' < 0.2 GeV2. The data, from which SDMEs are determined, were accumulated with the HERMES forward spectrometer during the running period of 1996 to 2007 using the 27.6 GeV electron or positron beam of HERA. A sizable contribution of unnatural parity exchange amplitudes is found for exclusive ω meson production.

  13. A parton shower based on factorization of the quantum density matrix

    International Nuclear Information System (INIS)

    Nagy, Zoltan; Soper, Davison E.

    2014-01-01

    We present rst results from a new parton shower event generator, DEDUCTOR. Anticipating a need for an improved treatment of parton color and spin, the structure of the generator is based on the quantum density matrix in color and spin space. So far, DEDUCTOR implements only a standard spin-averaged treatment of spin in parton splittings. Although DEDUCTOR implements an improved treatment of color, in this paper we present results in the standard leading color approximation so that we can compare to the generator PYTHIA. The algorithms used incorporate a virtuality based shower ordering parameter and massive initial state bottom and charm quarks.

  14. First principles calculations using density matrix divide-and-conquer within the SIESTA methodology

    International Nuclear Information System (INIS)

    Cankurtaran, B O; Gale, J D; Ford, M J

    2008-01-01

    The density matrix divide-and-conquer technique for the solution of Kohn-Sham density functional theory has been implemented within the framework of the SIESTA methodology. Implementation details are provided where the focus is on the scaling of the computation time and memory use, in both serial and parallel versions. We demonstrate the linear-scaling capabilities of the technique by providing ground state calculations of moderately large insulating, semiconducting and (near-) metallic systems. This linear-scaling technique has made it feasible to calculate the ground state properties of quantum systems consisting of tens of thousands of atoms with relatively modest computing resources. A comparison with the existing order-N functional minimization (Kim-Mauri-Galli) method is made between the insulating and semiconducting systems

  15. Rotating relativistic neutron stars

    Energy Technology Data Exchange (ETDEWEB)

    Weber, F.; Glendenning, N.K.

    1991-07-21

    Models of rotating neutron stars are constructed in the framework of Einstein's theory of general relativity. For this purpose a refined version of Hartle's method is applied. The properties of these objects, e.g. gravitational mass, equatorial and polar radius, eccentricity, red- and blueshift, quadrupole moment, are investigated for Kepler frequencies of 4000 s{sup {minus}1} {le} {Omega}{sub K} {le} 9000 s{sup {minus}1}. Therefore a self-consistency problem inherent in the determination of {Omega}{sub K} must be solved. The investigation is based on neutron star matter equations of state derived from the relativistic Martin-Schwinger hierarch of coupled Green's functions. By means of introducing the Hartree, Hartree-Fock, and ladder ({Lambda}) approximations, models of the equation of state derived. A special feature of the latter approximation scheme is the inclusion of dynamical two-particle correlations. These have been calculated from the relativistic T-matrix applying both the HEA and Bonn meson-exchange potentials of the nucleon-nucleon force. The nuclear forces of the former two treatments are those of the standard scalar-vector-isovector model of quantum hadron dynamics, with parameters adjusted to the nuclear matter data. An important aspect of this work consists in testing the compatibility of different competing models of the nuclear equation of state with data on pulsar periods. By this the fundamental problem of nuclear physics concerning the behavior of the equation of state at supernuclear densities can be treated.

  16. Quantum Stochastic Trajectories: The Fokker-Planck-Bohm Equation Driven by the Reduced Density Matrix.

    Science.gov (United States)

    Avanzini, Francesco; Moro, Giorgio J

    2018-03-15

    The quantum molecular trajectory is the deterministic trajectory, arising from the Bohm theory, that describes the instantaneous positions of the nuclei of molecules by assuring the agreement with the predictions of quantum mechanics. Therefore, it provides the suitable framework for representing the geometry and the motions of molecules without neglecting their quantum nature. However, the quantum molecular trajectory is extremely demanding from the computational point of view, and this strongly limits its applications. To overcome such a drawback, we derive a stochastic representation of the quantum molecular trajectory, through projection operator techniques, for the degrees of freedom of an open quantum system. The resulting Fokker-Planck operator is parametrically dependent upon the reduced density matrix of the open system. Because of the pilot role played by the reduced density matrix, this stochastic approach is able to represent accurately the main features of the open system motions both at equilibrium and out of equilibrium with the environment. To verify this procedure, the predictions of the stochastic and deterministic representation are compared for a model system of six interacting harmonic oscillators, where one oscillator is taken as the open quantum system of interest. The undeniable advantage of the stochastic approach is that of providing a simplified and self-contained representation of the dynamics of the open system coordinates. Furthermore, it can be employed to study the out of equilibrium dynamics and the relaxation of quantum molecular motions during photoinduced processes, like photoinduced conformational changes and proton transfers.

  17. Perturbation theory corrections to the two-particle reduced density matrix variational method.

    Science.gov (United States)

    Juhasz, Tamas; Mazziotti, David A

    2004-07-15

    In the variational 2-particle-reduced-density-matrix (2-RDM) method, the ground-state energy is minimized with respect to the 2-particle reduced density matrix, constrained by N-representability conditions. Consider the N-electron Hamiltonian H(lambda) as a function of the parameter lambda where we recover the Fock Hamiltonian at lambda=0 and we recover the fully correlated Hamiltonian at lambda=1. We explore using the accuracy of perturbation theory at small lambda to correct the 2-RDM variational energies at lambda=1 where the Hamiltonian represents correlated atoms and molecules. A key assumption in the correction is that the 2-RDM method will capture a fairly constant percentage of the correlation energy for lambda in (0,1] because the nonperturbative 2-RDM approach depends more significantly upon the nature rather than the strength of the two-body Hamiltonian interaction. For a variety of molecules we observe that this correction improves the 2-RDM energies in the equilibrium bonding region, while the 2-RDM energies at stretched or nearly dissociated geometries, already highly accurate, are not significantly changed. At equilibrium geometries the corrected 2-RDM energies are similar in accuracy to those from coupled-cluster singles and doubles (CCSD), but at nonequilibrium geometries the 2-RDM energies are often dramatically more accurate as shown in the bond stretching and dissociation data for water and nitrogen. (c) 2004 American Institute of Physics.

  18. Electrically tunable spin polarization in silicene: A multi-terminal spin density matrix approach

    International Nuclear Information System (INIS)

    Chen, Son-Hsien

    2016-01-01

    Recent realized silicene field-effect transistor yields promising electronic applications. Using a multi-terminal spin density matrix approach, this paper presents an analysis of the spin polarizations in a silicene structure of the spin field-effect transistor by considering the intertwined intrinsic and Rashba spin–orbit couplings, gate voltage, Zeeman splitting, as well as disorder. Coexistence of the stagger potential and intrinsic spin–orbit coupling results in spin precession, making any in-plane polarization directions reachable by the gate voltage; specifically, the intrinsic coupling allows one to electrically adjust the in-plane components of the polarizations, while the Rashba coupling to adjust the out-of-plan polarizations. Larger electrically tunable ranges of in-plan polarizations are found in oppositely gated silicene than in the uniformly gated silicene. Polarizations in different phases behave distinguishably in weak disorder regime, while independent of the phases, stronger disorder leads to a saturation value. - Highlights: • Density matrix with spin rotations enables multi-terminal arbitrary spin injections. • Gate-voltage tunable in-plane polarizations require intrinsic SO coupling. • Gate-voltage tunable out-of-plane polarizations require Rashba SO coupling. • Oppositely gated silicene yields a large tunable range of in-plan polarizations. • Polarizations in different phases behave distinguishably only in weak disorder.

  19. A Comparative Study of Collagen Matrix Density Effect on Endothelial Sprout Formation Using Experimental and Computational Approaches.

    Science.gov (United States)

    Shamloo, Amir; Mohammadaliha, Negar; Heilshorn, Sarah C; Bauer, Amy L

    2016-04-01

    A thorough understanding of determining factors in angiogenesis is a necessary step to control the development of new blood vessels. Extracellular matrix density is known to have a significant influence on cellular behaviors and consequently can regulate vessel formation. The utilization of experimental platforms in combination with numerical models can be a powerful method to explore the mechanisms of new capillary sprout formation. In this study, using an integrative method, the interplay between the matrix density and angiogenesis was investigated. Owing the fact that the extracellular matrix density is a global parameter that can affect other parameters such as pore size, stiffness, cell-matrix adhesion and cross-linking, deeper understanding of the most important biomechanical or biochemical properties of the ECM causing changes in sprout morphogenesis is crucial. Here, we implemented both computational and experimental methods to analyze the mechanisms responsible for the influence of ECM density on the sprout formation that is difficult to be investigated comprehensively using each of these single methods. For this purpose, we first utilized an innovative approach to quantify the correspondence of the simulated collagen fibril density to the collagen density in the experimental part. Comparing the results of the experimental study and computational model led to some considerable achievements. First, we verified the results of the computational model using the experimental results. Then, we reported parameters such as the ratio of proliferating cells to migrating cells that was difficult to obtain from experimental study. Finally, this integrative system led to gain an understanding of the possible mechanisms responsible for the effect of ECM density on angiogenesis. The results showed that stable and long sprouts were observed at an intermediate collagen matrix density of 1.2 and 1.9 mg/ml due to a balance between the number of migrating and proliferating

  20. Instability in relativistic nuclear matter

    International Nuclear Information System (INIS)

    Tezuka, Hirokazu.

    1979-11-01

    The stability of the Fermi gas state in the nuclear matter which satisfies the saturation property is considered relativistically. It is shown that the Fermi gas state is stable at very low density and at high density, but it is unstable for density fluctuation in the intermediate density region including the normal density. (author)

  1. Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species.

    Science.gov (United States)

    Kajzer-Bonk, Joanna; Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

    2016-01-01

    The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011-12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales.

  2. Relative Contribution of Matrix Structure, Patch Resources and Management to the Local Densities of Two Large Blue Butterfly Species

    Science.gov (United States)

    Skórka, Piotr; Nowicki, Piotr; Bonk, Maciej; Król, Wiesław; Szpiłyk, Damian; Woyciechowski, Michal

    2016-01-01

    The type of matrix, the landscape surrounding habitat patches, may determine the distribution and function of local populations. However, the matrix is often heterogeneous, and its various components may differentially contribute to metapopulation processes at different spatial scales, a phenomenon that has rarely been investigated. The aim of this study was to estimate the relative importance of matrix composition and spatial scale, habitat quality, and management intensity on the occurrence and density of local populations of two endangered large blue butterflies: Phengaris teleius and P. nausithous. Presence and abundance data were assessed over two years, 2011–12, in 100 local patches within two heterogeneous regions (near Kraków and Tarnów, southern Poland). The matrix composition was analyzed at eight spatial scales. We observed high occupancy rates in both species, regions and years. With the exception of area and isolation, almost all of the matrix components contributed to Phengaris sp. densities. The different matrix components acted at different spatial scales (grassland cover within 4 and 3 km, field cover within 0.4 and 0.3 km and water cover within 4 km radii for P. teleius and P. nausithous, respectively) and provided the highest independent contribution to the butterfly densities. Additionally, the effects of a 0.4 km radius of forest cover and a food plant cover on P. teleius, and a 1 km radius of settlement cover and management intensity on P. nausithous densities were observed. Contrary to former studies we conclude that the matrix heterogeneity and spatial scale rather than general matrix type are of relevance for densities of butterflies. Conservation strategies for these umbrella species should concentrate on maintaining habitat quality and managing matrix composition at the most appropriate spatial scales. PMID:28005942

  3. Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

    Energy Technology Data Exchange (ETDEWEB)

    Bury, Marcin; Hameren, Andreas van; Kutak, Krzysztof; Sapeta, Sebastian [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Jung, Hannes [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); DESY, Hamburg (Germany); Serino, Mirko [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Ben Gurion University of the Negev, Department of Physics, Beersheba (Israel)

    2018-02-15

    A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p{sub t} dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization. (orig.)

  4. Relativistic astrophysics

    CERN Document Server

    Demianski, Marek

    2013-01-01

    Relativistic Astrophysics brings together important astronomical discoveries and the significant achievements, as well as the difficulties in the field of relativistic astrophysics. This book is divided into 10 chapters that tackle some aspects of the field, including the gravitational field, stellar equilibrium, black holes, and cosmology. The opening chapters introduce the theories to delineate gravitational field and the elements of relativistic thermodynamics and hydrodynamics. The succeeding chapters deal with the gravitational fields in matter; stellar equilibrium and general relativity

  5. Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

    Science.gov (United States)

    Zhang, Xing; Carter, Emily A.

    2018-01-01

    We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.

  6. Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities

    International Nuclear Information System (INIS)

    March, N.H.

    2006-08-01

    A differential equation for the Dirac density matrix γ(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that γ ≡ γ[ρ, t g ] where ρ and t g are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important byproduct of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (author)

  7. Ground states of linear rotor chains via the density matrix renormalization group

    Science.gov (United States)

    Iouchtchenko, Dmitri; Roy, Pierre-Nicholas

    2018-04-01

    In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from the placement of dipolar linear rotors in one-dimensional lattices at low temperature has a transition between ordered and disordered phases. We use the density matrix renormalization group (DMRG) to compute ground states of chains of up to 100 rotors and provide further evidence of the phase transition in the form of a diverging entanglement entropy. We also propose two methods and present some first steps toward rotational spectra of such molecular assemblies using DMRG. The present work showcases the power of DMRG in this new context of interacting molecular rotors and opens the door to the study of fundamental questions regarding criticality in systems with continuous degrees of freedom.

  8. Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope.

    Science.gov (United States)

    Tian, Guangjun; Liu, Ji-Cai; Luo, Yi

    2011-04-29

    The electroluminescence (EL) of molecules confined inside a nanocavity in the scanning tunneling microscope possesses many intriguing but unexplained features. We present here a general theoretical approach based on the density-matrix formalism to describe the EL from molecules near a metal surface induced by both electron tunneling and localized surface plasmon excitations simultaneously. It reveals the underlying physical mechanism for the external bias dependent EL. The important role played by the localized surface plasmon on the EL is highlighted. Calculations for porphyrin derivatives have reproduced corresponding experimental spectra and nicely explained the observed unusual large variation of emission spectral profiles. This general theoretical approach can find many applications in the design of molecular electronic and photonic devices.

  9. Self-consistent RPA and the time-dependent density matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Schuck, P. [Institut de Physique Nucleaire, Orsay (France); CNRS et Universite Joseph Fourier, Laboratoire de Physique et Modelisation des Milieux Condenses, Grenoble (France); Tohyama, M. [Kyorin University School of Medicine, Mitaka, Tokyo (Japan)

    2016-10-15

    The time-dependent density matrix (TDDM) or BBGKY (Bogoliubov, Born, Green, Kirkwood, Yvon) approach is decoupled and closed at the three-body level in finding a natural representation of the latter in terms of a quadratic form of two-body correlation functions. In the small amplitude limit an extended RPA coupled to an also extended second RPA is obtained. Since including two-body correlations means that the ground state cannot be a Hartree-Fock state, naturally the corresponding RPA is upgraded to Self-Consistent RPA (SCRPA) which was introduced independently earlier and which is built on a correlated ground state. SCRPA conserves all the properties of standard RPA. Applications to the exactly solvable Lipkin and the 1D Hubbard models show good performances of SCRPA and TDDM. (orig.)

  10. Quantum phase transition by employing trace distance along with the density matrix renormalization group

    International Nuclear Information System (INIS)

    Luo, Da-Wei; Xu, Jing-Bo

    2015-01-01

    We use an alternative method to investigate the quantum criticality at zero and finite temperature using trace distance along with the density matrix renormalization group. It is shown that the average correlation measured by the trace distance between the system block and environment block in a DMRG sweep is able to detect the critical points of quantum phase transitions at finite temperature. As illustrative examples, we study spin-1 XXZ chains with uniaxial single-ion-type anisotropy and the Heisenberg spin chain with staggered coupling and external magnetic field. It is found that the trace distance shows discontinuity at the critical points of quantum phase transition and can be used as an indicator of QPTs

  11. Quasi-particle energy spectra in local reduced density matrix functional theory.

    Science.gov (United States)

    Lathiotakis, Nektarios N; Helbig, Nicole; Rubio, Angel; Gidopoulos, Nikitas I

    2014-10-28

    Recently, we introduced [N. N. Lathiotakis, N. Helbig, A. Rubio, and N. I. Gidopoulos, Phys. Rev. A 90, 032511 (2014)] local reduced density matrix functional theory (local RDMFT), a theoretical scheme capable of incorporating static correlation effects in Kohn-Sham equations. Here, we apply local RDMFT to molecular systems of relatively large size, as a demonstration of its computational efficiency and its accuracy in predicting single-electron properties from the eigenvalue spectrum of the single-particle Hamiltonian with a local effective potential. We present encouraging results on the photoelectron spectrum of molecular systems and the relative stability of C20 isotopes. In addition, we propose a modelling of the fractional occupancies as functions of the orbital energies that further improves the efficiency of the method useful in applications to large systems and solids.

  12. Quasi-particle entanglement: redefinition of the vacuum and reduced density matrix approach

    International Nuclear Information System (INIS)

    Samuelsson, P; Sukhorukov, E V; Buettiker, M

    2005-01-01

    A scattering approach to entanglement in mesoscopic conductors with independent fermionic quasi-particles is discussed. We focus on conductors in the tunnelling limit, where a redefinition of the quasi-particle vacuum transforms the wavefunction from a many-body product state of non-interacting particles to a state describing entangled two-particle excitations out of the new vacuum (Samuelsson, Sukhorukov and Buettiker 2003 Phys. Rev. Lett. 91 157002). The approach is illustrated with two examples: (i) a normal-superconducting system, where the transformation is made between Bogoliubov-de Gennes quasi-particles and Cooper pairs, and (ii) a normal system, where the transformation is made between electron quasi-particles and electron-hole pairs. This is compared to a scheme where an effective two-particle state is derived from the manybody scattering state by a reduced density matrix approach

  13. Investigation of the alpha cluster model and the density matrix expansion in ion-ion collision

    International Nuclear Information System (INIS)

    Rashdan, M.B.M.

    1986-01-01

    This thesis deals with the investigation of the alpha cluster model (ACM) of brink and studies of the accuracy of the density matrix expansion (DME) approximation in deriving the real part of the ion-ion optical potential. the ACM is applied to calculate the inelastic 0 1 + →2 1 + charge form factor for electron scattering by 12 C to investigate the validity of this model for 12 C nucleus. it is found that the experimental curve can be fitted over the entire range of the momentum transfer by a generator - coordinate state for the 2 1 + state that consist of a superposition of two triangular ACM states with two different cluster separations and the same oscillator parameter

  14. Lectures on light nonlinear and quantum optics using the density matrix

    CERN Document Server

    Rand, Stephen C.

    2016-01-01

    This book bridges the gap between introductory quantum mechanics and the research front of modern optics and scientific fields that make use of light. While suitable as a reference for the specialist in quantum optics, it also targets non-specialists from other disciplines who need to understand light and its uses in research. It introduces a single analytic tool, the density matrix, to analyze complex optical phenomena encountered in traditional as well as cross-disciplinary research. It moves swiftly in a tight sequence from elementary to sophisticated topics in quantum optics, including optical tweezers, laser cooling, coherent population transfer, optical magnetism, electromagnetically induced transparency, squeezed light, and cavity quantum electrodynamics. A systematic approach starts with the simplest systems—stationary two-level atoms—then introduces atomic motion, adds more energy levels, and moves on to discuss first-, second-, and third-order coherence effects that are the basis for analyzing n...

  15. Low-density, high-strength intermetallic matrix composites by XD (trademark) synthesis

    Science.gov (United States)

    Kumar, K. S.; Dipietro, M. S.; Brown, S. A.; Whittenberger, J. D.

    1991-01-01

    A feasibility study was conducted to evaluate the potential of particulate composites based on low-density, L1(sub 2) trialuminide matrices for high-temperature applications. The compounds evaluated included Al22Fe3Ti8 (as a multiphase matrix), Al67Ti25Cr8, and Al66Ti25Mn9. The reinforcement consisted of TiB2 particulates. The TiB2 composites were processed by ingot and powder metallurgy techniques. Microstructural characterization and mechanical testing were performed in the hot-pressed and hot-isostatic-pressed condition. The casting were sectioned and isothermally forged into pancakes. All the materials were tested in compression as a function of temperature, and at high temperatures as a function of strain rate. The test results are discussed.

  16. Heisenberg spin-one chain in staggered magnetic field: A density matrix renormalization group study

    International Nuclear Information System (INIS)

    Jizhong Lou; Xi Dai; Shaojin Qin; Zhaobin Su; Lu Yu

    1999-04-01

    Using the density matrix renormalization group technique, we calculate numerically the low energy excitation spectrum and magnetization curve of the spin-1 antiferromagnetic chain in a staggered magnetic field, which is expected to describe the physics of R 2 BaNiO 5 (R ≠ Y) family below the Neel temperature of the magnetic rare-earth (R) sublattice. These results are valid in the entire range of the staggered field, and agree with those given by the non-linear σ model study for small fields, but differ from the latter for large fields. They are consistent with the available experimental data. The correlation functions for this model are also calculated. The transverse correlations display the anticipated exponential decay with shorter correlation length, while the longitudinal correlations show explicitly the induced staggered magnetization. (author)

  17. Evaluation of the thermodynamics of a four level system using canonical density matrix method

    Directory of Open Access Journals (Sweden)

    Awoga Oladunjoye A.

    2013-02-01

    Full Text Available We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.

  18. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  19. Relativistic self-focusing of intense laser beam in thermal collisionless quantum plasma with ramped density profile

    Directory of Open Access Journals (Sweden)

    S. Zare

    2015-04-01

    Full Text Available Propagation of a Gaussian x-ray laser beam has been analyzed in collisionless thermal quantum plasma with considering a ramped density profile. In this density profile due to the increase in the plasma density, an earlier and stronger self-focusing effect is noticed where the beam width oscillates with higher frequency and less amplitude. Moreover, the effect of the density profile slope and the initial plasma density on the laser propagation has been studied. It is found that, by increasing the initial density and the ramp slope, the laser beam focuses faster with less oscillation amplitude, smaller laser spot size and more oscillations. Furthermore, a comparison is made among the laser self-focusing in thermal quantum plasma, cold quantum plasma and classical plasma. It is realized that the laser self-focusing in the quantum plasma becomes stronger in comparison with the classical regime.

  20. Density-matrix-functional calculations for matter in strong magnetic fields: Ground states of heavy atoms

    DEFF Research Database (Denmark)

    Johnsen, Kristinn; Yngvason, Jakob

    1996-01-01

    We report on a numerical study of the density matrix functional introduced by Lieb, Solovej, and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes exactly the quantum mechanical ground state of atoms and ions in the limit when the nuclear charge Z...... and the electron number N tend to infinity with N/Z fixed, and the magnetic field B tends to infinity in such a way that B/Z4/3→∞. We have calculated electronic density profiles and ground-state energies for values of the parameters that prevail on neutron star surfaces and compared them with results obtained...... by other methods. For iron at B=1012 G the ground-state energy differs by less than 2% from the Hartree-Fock value. We have also studied the maximal negative ionization of heavy atoms in this model at various field strengths. In contrast to Thomas-Fermi type theories atoms can bind excess negative charge...

  1. Time-dependent occupation numbers in reduced-density-matrix-functional theory: Application to an interacting Landau-Zener model

    International Nuclear Information System (INIS)

    Requist, Ryan; Pankratov, Oleg

    2011-01-01

    We prove that if the two-body terms in the equation of motion for the one-body reduced density matrix are approximated by ground-state functionals, the eigenvalues of the one-body reduced density matrix (occupation numbers) remain constant in time. This deficiency is related to the inability of such an approximation to account for relative phases in the two-body reduced density matrix. We derive an exact differential equation giving the functional dependence of these phases in an interacting Landau-Zener model and study their behavior in short- and long-time regimes. The phases undergo resonances whenever the occupation numbers approach the boundaries of the interval [0,1]. In the long-time regime, the occupation numbers display correlation-induced oscillations and the memory dependence of the functionals assumes a simple form.

  2. A study of fast electron energy transport in relativistically intense laser-plasma interactions with large density scalelengths

    Energy Technology Data Exchange (ETDEWEB)

    Scott, R. H. H.; Norreys, P. A. [Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom); Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Perez, F.; Baton, S. D. [LULI, Ecole Polytechnique, UMR 7605, CNRS/CEA/UPMC, Route de Saclay, 91128 Palaiseau (France); Santos, J. J.; Nicolai, Ph.; Hulin, S. [Univ. Bordeaux/CNRS/CEA, CELIA, UMR 5107, 33405 Talence (France); Ridgers, C. P. [Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom); Davies, J. R. [GoLP, Instituto de Plasmas e Fusao Nuclear - Laboratorio Associado, Instituto Superior Tecnico, 1049-001 Lisboa (Portugal); Lancaster, K. L.; Trines, R. M. G. M. [Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Bell, A. R.; Tzoufras, M. [Clarendon Laboratory, University of Oxford, Parks Road, Oxford OX1 3PU (United Kingdom); Central Laser Facility, STFC Rutherford Appleton Laboratory, Harwell Oxford, Didcot, Oxford OX11 0QX (United Kingdom); Rose, S. J. [Department of Physics, Blackett Laboratory, Imperial College London, Prince Consort Road, London, SW7 2AZ (United Kingdom)

    2012-05-15

    A systematic experimental and computational investigation of the effects of three well characterized density scalelengths on fast electron energy transport in ultra-intense laser-solid interactions has been performed. Experimental evidence is presented which shows that, when the density scalelength is sufficiently large, the fast electron beam entering the solid-density plasma is best described by two distinct populations: those accelerated within the coronal plasma (the fast electron pre-beam) and those accelerated near or at the critical density surface (the fast electron main-beam). The former has considerably lower divergence and higher temperature than that of the main-beam with a half-angle of {approx}20 Degree-Sign . It contains up to 30% of the total fast electron energy absorbed into the target. The number, kinetic energy, and total energy of the fast electrons in the pre-beam are increased by an increase in density scalelength. With larger density scalelengths, the fast electrons heat a smaller cross sectional area of the target, causing the thinnest targets to reach significantly higher rear surface temperatures. Modelling indicates that the enhanced fast electron pre-beam associated with the large density scalelength interaction generates a magnetic field within the target of sufficient magnitude to partially collimate the subsequent, more divergent, fast electron main-beam.

  3. Relativistic stellar dynamics

    International Nuclear Information System (INIS)

    Contopoulos, G.

    1983-01-01

    In this paper, three main areas of relativistic stellar dynamics are reviewed: (a) The dynamics of clusters, or nuclei of galaxies, of very high density; (b) The dynamics of systems containing a massive black hole; and (c) The dynamics of particles (and photons) in an expanding Universe. The emphasis is on the use of orbit perturbations. (Auth.)

  4. Phase transition for a uniformly frustrated 19-vertex model by use of the density matrix renormalization group

    International Nuclear Information System (INIS)

    Honda, Yasushi; Horiguchi, Tsuyoshi

    2001-01-01

    We investigate a uniformly frustrated 19-vertex model with an anisotropy parameter η by use of the density matrix renormalization group for the transfer matrix for 0.6≤η≤1.3. The scaling dimension x is calculated from eigenvalues of the transfer matrix for several values η. The finite-size scaling analyses with a logarithmic correction are carried out in order to determine transition temperatures. It is found that there are two kinds of phase transitions, although there is a possibility of a single transition. This result is not compatible with the result for the uniformly frustrated XY model

  5. A reduced-scaling density matrix-based method for the computation of the vibrational Hessian matrix at the self-consistent field level

    International Nuclear Information System (INIS)

    Kussmann, Jörg; Luenser, Arne; Beer, Matthias; Ochsenfeld, Christian

    2015-01-01

    An analytical method to calculate the molecular vibrational Hessian matrix at the self-consistent field level is presented. By analysis of the multipole expansions of the relevant derivatives of Coulomb-type two-electron integral contractions, we show that the effect of the perturbation on the electronic structure due to the displacement of nuclei decays at least as r −2 instead of r −1 . The perturbation is asymptotically local, and the computation of the Hessian matrix can, in principle, be performed with O(N) complexity. Our implementation exhibits linear scaling in all time-determining steps, with some rapid but quadratic-complexity steps remaining. Sample calculations illustrate linear or near-linear scaling in the construction of the complete nuclear Hessian matrix for sparse systems. For more demanding systems, scaling is still considerably sub-quadratic to quadratic, depending on the density of the underlying electronic structure

  6. Low-momentum-transfer nonrelativistic limit of the relativistic impulse approximation expression for Compton-scattering doubly differential cross sections and characterization of their relativistic contributions

    International Nuclear Information System (INIS)

    LaJohn, L. A.

    2010-01-01

    The nonrelativistic (nr) impulse approximation (NRIA) expression for Compton-scattering doubly differential cross sections (DDCS) for inelastic photon scattering is recovered from the corresponding relativistic expression (RIA) of Ribberfors [Phys. Rev. B 12, 2067 (1975)] in the limit of low momentum transfer (q→0), valid even at relativistic incident photon energies ω 1 >m provided that the average initial momentum of the ejected electron i > is not too high, that is, i > b 1 >m using nr expressions when θ is small. For example, a 1% accuracy can be obtained when ω 1 =1 MeV if θ 1 increases into the MeV range, the maximum θ at which an accurate Compton peak can be obtained from nr expressions approaches closer to zero, because the θ at which the relativistic shift of CP to higher energy is greatest, which starts at 180 deg. when ω 1 min ,ρ rel ) (where p min is the relativistic version of the z component of the momentum of the initial electron and ρ rel is the relativistic charge density) and K(p min ) on p min . This characterization approach was used as a guide for making the nr QED S-matrix expression for the Compton peak kinematically relativistic. Such modified nr expressions can be more readily applied to large systems than the fully relativistic version.

  7. Changes in subchondral bone mineral density and collagen matrix organization in growing horses.

    Science.gov (United States)

    Holopainen, Jaakko T; Brama, Pieter A J; Halmesmäki, Esa; Harjula, Terhi; Tuukkanen, Juha; van Weeren, P René; Helminen, Heikki J; Hyttinen, Mika M

    2008-12-01

    The effects of growth and maturation on the mineral deposition and the collagen framework of equine subchondral bone (SCB) were studied. Osteochondral specimens (diameter 6 mm) from the left metacarpophalangeal joint of 5-(n=8), 11-(n=8) and 18-month-old (n=6) horses were investigated at two differently loaded sites (Site 1 (S1): intermittent peak loading; Site 2 (S2): habitual loading). The SCB mineral density (BMD) was measured with peripheral quantitative computer tomography (pQCT), and the data were adjusted against the volume fraction (Vv) of the bone extracellular matrix (ECM). Polarised light microscopy (PLM) was used to analyze the Vv, the collagen fibril parallelism index and the orientation angle distribution in two fractions (1 mm/fraction) beneath the osteochondral junction of the SCB. PLM analysis was made along two randomly selected perpendicularly oriented vertical sections to measure the tissue anisotropy in the x-, y-, and z-directions. The BMD of SCB at S1 and S2 increased significantly during maturation. At the same time, the Vv of the ECM increased even more. This meant that the Vv-adjusted BMD decreased. There were no significant differences between sites. The basic collagen fibril framework of SCB seems to be established already at the age of 5 months. During maturation, the extracellular matrix underwent a decrease in collagen fibril parallelism but no changes in collagen orientation. The variation was negligible in the collagen network estimates in the two section planes. Growth and maturation induce significant changes in the equine SCB. The BMD increase in SCB is primarily due to the growth of bone volume and not to any increase in mineral deposition. An increase in weight-bearing appears to greatly affect the BMD and the volume of the extracellular matrix. Growth and maturation induce a striking change in collagen fibril parallelism but not in fibril orientation. The structural anisotropy of the subchondral bone is significant along the

  8. Relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Barz, H.W.; Kaempfer, B.; Schulz, H.

    1984-12-01

    An elementary introduction is given into the scenario of relativistic heavy ion collisions. It deals with relativistic kinematics and estimates of energy densities, extrapolations of the present knowledge of hadron-hadron and hadron-nuleus to nucleus-nucleus collisions, the properties of the quark-gluon plasma and the formation of the plasma and possible experimental signatures. Comments are made on a cosmic ray experiment which could be interpreted as a first indication of the quark-gluon phase of the matter. (author)

  9. Relativistic transport theory for hadronic matter

    International Nuclear Information System (INIS)

    Shun-Jin Wang; Bao-An Li; Bauer, W.; Randrup, J.

    1991-01-01

    We derive coupled equations of motion for the density matrices for nucleons, Δ resonances, and π mesons, as well as for the pion--baryon interaction vertex function for the description of nuclear reactions at intermediate energies. We start from an effective hadronic Lagrangian density with minimal coupling between baryons and mesons. By truncating at the level of three-body correlations and using the G-matrix method to solve the equations of motion for the two-body correlation functions, a closed equation of motion for the one-body density matrices is obtained. A subsequent Wigner transformation then leads to a tractable set of relativistic transport equations for interacting nucleons, deltas, and pions. copyright 1991 Academic Press, Inc

  10. Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

    Science.gov (United States)

    Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

    2017-08-01

    Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

  11. The Density Matrix for Single-mode Light after k-Photon Absorption

    Science.gov (United States)

    Voigt, H.; Bandilla, A.

    In order to continue and generalize the studies of the density matrix of a light field undergoing k-photon absorption, in this paper we put the emphasis on the off-diagonal elements. The solution obtained earlier for the diagonal elements describing the photon statistics can be found as a special case but will not be discussed again. The general solution calculated by recursion shows an asymptotic behaviour if the initial photon number is sufficiently high. Only the initial phase information survives. Illustrating the solution we start with coherent light and a generalized coherent state.Translated AbstractDie Dichtematrix eines Lichtstrahls nach k-Photonen-Absorption aus einer ModeWir führen die Betrachtungen über das Verhalten der Dichtematrix eines Lichtfeldes nach k-Photonen-Absorption aus einer Mode verallgemeinernd weiter und konzentrieren uns auf die Nichtdiagonalelemente. Die im folgenden angegebene allgemeine Lösung, die durch Rekursion gefunden wurde, enthält die schon früher erhaltene, jedoch hier nicht weiter diskutierte Lösung für die Diagonalelemente als Spezialfall. Sie zeigt ferner, daß es einen asymptotischen Zustand gibt, der eine von der Ausgangsintensität unabhängige Information über die Ausgangsphase enthält. Zur Diskussion der Lösung werden verschiedene Anfangsbedingungen betrachtet, so z. B. kohärentes Licht und kohärentes Licht, das ein Medium mit nichtlinearem Brechungsindex durchlaufen hat (Kerr-Effekt).

  12. Degree of conversion and cross-link density within a resin-matrix composite.

    Science.gov (United States)

    Al-Zain, Afnan O; Eckert, George J; Lukic, Henry; Megremis, Spiro J; Platt, Jeffrey A

    2018-05-01

    The aims of this study were to profile light radiated from two light-curing units (LCUs) and evaluate profile relationship to polymerization patterns within a resin-matrix composite (RMC). Beam profiles of one multiple emission peak light-emitting-diode and one quartz-tungsten-halogen curing-unit were measured using a beam profiler/spectrometer system. A camera-based profiler and an integrating sphere/spectrometer assembly were used to evaluate each LCU beam. Polymerization patterns within a nano-hybrid RMC were investigated using a mapping approach by assessing the degree of conversion utilizing micro-Raman spectroscopy and indirectly estimating cross-link-density by repeated microhardness testing before and after exposure to ethanol (%KH reduction, n = 3). The irradiance received on the top and bottom specimen surfaces from both LCUs was measured using a MARC-RC system. The investigated beam profile area from both LCUs was non-uniform and yielded localized discrepancies in DC (55.7-74.9%) and %KH reduction (26.7-54.1%). The LCU irradiance received at the bottom of the specimens was ∼10% of the top value. This study demonstrated that LCU beam profiles were non-uniform in the area explored. Localized differences in DC and %KH reduction existed throughout the RMC specimens but did not follow a specific pattern. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1496-1504, 2018. © 2017 Wiley Periodicals, Inc.

  13. Connecting N-representability to Weyl's problem: the one-particle density matrix for N = 3 and R = 6

    International Nuclear Information System (INIS)

    Ruskai, Mary Beth

    2007-01-01

    An analytic proof of the necessity of the Borland-Dennis conditions for 3-representability of a one-particle density matrix with rank 6 is given. This may shed some light on Klyachko's recent use of Schubert calculus to find general conditions for N-representability. (fast track communication)

  14. Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

    Science.gov (United States)

    Akhundova, E. A.; Dodonov, V. V.; Manko, V. I.

    1993-01-01

    The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

  15. Applications of density matrix in the fractional quantum mechanics: Thomas-Fermi model and Hohenberg-Kohn theorems revisited

    International Nuclear Information System (INIS)

    Dong, Jianping

    2011-01-01

    The many-body space fractional quantum system is studied using the density matrix method. We give the new results of the Thomas-Fermi model, obtain the quantum pressure of the free electron gas. We also show the validity of the Hohenberg-Kohn theorems in the space fractional quantum mechanics and generalize the density functional theory to the fractional quantum mechanics. -- Highlights: → Thomas-Fermi model under the framework of fractional quantum mechanics is studied. → We show the validity of the HK theorems in the space fractional quantum mechanics. → The density functional theory is generalized to the fractional quantum mechanics.

  16. The relativistic gravity train

    Science.gov (United States)

    Seel, Max

    2018-05-01

    The gravity train that takes 42.2 min from any point A to any other point B that is connected by a straight-line tunnel through Earth has captured the imagination more than most other applications in calculus or introductory physics courses. Brachystochron and, most recently, nonlinear density solutions have been discussed. Here relativistic corrections are presented. It is discussed how the corrections affect the time to fall through Earth, the Sun, a white dwarf, a neutron star, and—the ultimate limit—the difference in time measured by a moving, a stationary and the fiducial observer at infinity if the density of the sphere approaches the density of a black hole. The relativistic gravity train can serve as a problem with approximate and exact analytic solutions and as numerical exercise in any introductory course on relativity.

  17. Relativistic neoclassical transport coefficients with momentum correction

    International Nuclear Information System (INIS)

    Marushchenko, I.; Azarenkov, N.A.

    2016-01-01

    The parallel momentum correction technique is generalized for relativistic approach. It is required for proper calculation of the parallel neoclassical flows and, in particular, for the bootstrap current at fusion temperatures. It is shown that the obtained system of linear algebraic equations for parallel fluxes can be solved directly without calculation of the distribution function if the relativistic mono-energetic transport coefficients are already known. The first relativistic correction terms for Braginskii matrix coefficients are calculated.

  18. Geometrical separation method for lipoproteins using bioformulated-fiber matrix electrophoresis: size of high-density lipoprotein does not reflect its density.

    Science.gov (United States)

    Tabuchi, Mari; Seo, Makoto; Inoue, Takayuki; Ikeda, Takeshi; Kogure, Akinori; Inoue, Ikuo; Katayama, Shigehiro; Matsunaga, Toshiyuki; Hara, Akira; Komoda, Tsugikazu

    2011-02-01

    The increasing number of patients with metabolic syndrome is a critical global problem. In this study, we describe a novel geometrical electrophoretic separation method using a bioformulated-fiber matrix to analyze high-density lipoprotein (HDL) particles. HDL particles are generally considered to be a beneficial component of the cholesterol fraction. Conventional electrophoresis is widely used but is not necessarily suitable for analyzing HDL particles. Furthermore, a higher HDL density is generally believed to correlate with a smaller particle size. Here, we use a novel geometrical separation technique incorporating recently developed nanotechnology (Nata de Coco) to contradict this belief. A dyslipidemia patient given a 1-month treatment of fenofibrate showed an inverse relationship between HDL density and size. Direct microscopic observation and morphological observation of fractionated HDL particles confirmed a lack of relationship between particle density and size. This new technique may improve diagnostic accuracy and medical treatment for lipid related diseases.

  19. Preliminary investigation of anomalous relativistic electron beam deposition into a 1017 to 1020 cm-3 density plasma

    International Nuclear Information System (INIS)

    Thode, L.E.

    1978-04-01

    Based upon recent theoretical and experimental advances, the potential for using a 10 to 30 MeV electron beam to heat a 10 17 to 10 20 cm -3 density plasma has been investigated. Taking into account anode foil scattering, external magnetic field strength, electron-ion collision rate, beam self-magnetic field discontinuity, and plasma temperature, a coupling efficiency of 15 to 50% is achievable for such a plasma. Moreover, the beam generator requirements seem to be within present pulse power technology

  20. Increased extracellular matrix density decreases MCF10A breast cell acinus formation in 3D culture conditions.

    Science.gov (United States)

    Lance, Amanda; Yang, Chih-Chao; Swamydas, Muthulekha; Dean, Delphine; Deitch, Sandy; Burg, Karen J L; Dréau, Didier

    2016-01-01

    The extracellular matrix (ECM) contributes to the generation and dynamic of normal breast tissue, in particular to the generation of polarized acinar and ductal structures. In vitro 3D culture conditions, including variations in the composition of the ECM, have been shown to directly influence the formation and organization of acinus-like and duct-like structures. Furthermore, the density of the ECM appears to also play a role in the normal mammary tissue and tumour formation. Here we show that the density of the ECM directly influences the number, organization and function of breast acini. Briefly, non-malignant human breast MCF10A cells were incubated in increasing densities of a Matrigel®-collagen I matrix. Elastic moduli near and distant to the acinus structures were measured by atomic force microscopy, and the number of acinus structures was determined. Immunochemistry was used to investigate the expression levels of E-cadherin, laminin, matrix metalloproteinase-14 and ß-casein in MCF10A cells. The modulus of the ECM was significantly increased near the acinus structures and the number of acinus structures decreased with the increase in Matrigel-collagen I density. As evaluated by the expression of laminin, the organization of the acinus structures present was altered as the density of the ECM increased. Increases in both E-cadherin and MMP14 expression by MCF10A cells as ECM density increased were also observed. In contrast, MCF10A cells expressed lower ß-casein levels as the ECM density increased. Taken together, these observations highlight the key role of ECM density in modulating the number, organization and function of breast acini. Copyright © 2013 John Wiley & Sons, Ltd.

  1. A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics

    Science.gov (United States)

    Kretchmer, Joshua S.; Chan, Garnet Kin-Lic

    2018-02-01

    We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.

  2. Floating matrix tablets based on low density foam powder: effects of formulation and processing parameters on drug release.

    Science.gov (United States)

    Streubel, A; Siepmann, J; Bodmeier, R

    2003-01-01

    The aim of this study was to develop and physicochemically characterize single unit, floating controlled drug delivery systems consisting of (i). polypropylene foam powder, (ii). matrix-forming polymer(s), (iii). drug, and (iv). filler (optional). The highly porous foam powder provided low density and, thus, excellent in vitro floating behavior of the tablets. All foam powder-containing tablets remained floating for at least 8 h in 0.1 N HCl at 37 degrees C. Different types of matrix-forming polymers were studied: hydroxypropyl methylcellulose (HPMC), polyacrylates, sodium alginate, corn starch, carrageenan, gum guar and gum arabic. The tablets eroded upon contact with the release medium, and the relative importance of drug diffusion, polymer swelling and tablet erosion for the resulting release patterns varied significantly with the type of matrix former. The release rate could effectively be modified by varying the "matrix-forming polymer/foam powder" ratio, the initial drug loading, the tablet geometry (radius and height), the type of matrix-forming polymer, the use of polymer blends and the addition of water-soluble or water-insoluble fillers (such as lactose or microcrystalline cellulose). The floating behavior of the low density drug delivery systems could successfully be combined with accurate control of the drug release patterns.

  3. On the density of eigenvalues of a random matrix; Concernant la densite des racines caracteristiques d'une matrice stochastique

    Energy Technology Data Exchange (ETDEWEB)

    Mehta, M. L. [Institute of Fundamental Research Bombay (India); Gaudin, M. [Commissariat a l' energie atomique et aux energies alternatives - CEA, Centre d' Etudes Nucleaires de Saclay, Gif-sur-Yvette (France)

    1960-07-01

    An exact expression for the density of eigenvalues of a random- matrix is derived. When the order of the matrix becomes infinite, it can be seen very directly that it goes over to Wigner's 'semi-circle law'. Reprint of a paper published in 'Nuclear Physics' 18, 1960, p. 420-427 [French] On deduit une expression precise pour la densite des racines caracteristiques d'une matrice stochastique. Quand l'ordre de la matrice devient infini, on peut voir facilement qu'elle obeit a la loi dite 'semi-circulaire' de Wigner. Reproduction d'un article publie dans 'Nuclear Physics' 18, 1960, p. 420-427.

  4. Time-dependent reduced density matrix functional theory applied to laser-driven, correlated two-electron dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins; Kapoor, Varun; Bauer, Dieter [Institut fuer Physik, Universitaet Rostock, 18051 Rostock (Germany)

    2013-07-01

    Time-dependent density functional theory (TDDFT) with known and practicable exchange-correlation potentials does not capture highly correlated electron dynamics such as single-photon double ionization, autoionization, or nonsequential ionization. Time-dependent reduced density matrix functional theory (TDRDMFT) may remedy these problems. The key ingredients in TDRDMFT are the natural orbitals (NOs), i.e., the eigenfunctions of the one-body reduced density matrix (1-RDM), and the occupation numbers (OCs), i.e., the respective eigenvalues. The two-body reduced density matrix (2-RDM) is then expanded in NOs, and equations of motion for the NOs can be derived. If the expansion coefficients of the 2-RDM were known exactly, the problem at hand would be solved. In practice, approximations have to be made. We study the prospects of TDRDMFT following a top-down approach. We solve the exact two-electron time-dependent Schroedinger equation for a model Helium atom in intense laser fields in order to study highly correlated phenomena such as the population of autoionizing states or single-photon double ionization. From the exact wave function we calculate the exact NOs, OCs, the exact expansion coefficients of the 2-RDM, and the exact potentials in the equations of motion. In that way we can identify how many NOs and which level of approximations are necessary to capture such phenomena.

  5. Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

    Science.gov (United States)

    Poelmans, Ward; Van Raemdonck, Mario; Verstichel, Brecht; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Alcoba, Diego R; Bultinck, Patrick; Van Neck, Dimitri

    2015-09-08

    We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle density matrix must be derivable from a doubly occupied many-electron wave function, i.e., a singlet wave function for which the Slater determinant decomposition only contains determinants in which spatial orbitals are doubly occupied. We rederive the two-index N-representability conditions first found by Weinhold and Wilson and apply them to various benchmark systems (linear hydrogen chains, He, N2, and CN(-)). This work is motivated by the fact that a doubly occupied many-electron wave function captures in many cases the bulk of the static correlation. Compared to the general case, the structure of doubly occupied two-particle density matrices causes the associate semidefinite program to have a very favorable scaling as L(3), where L is the number of spatial orbitals. Since the doubly occupied Hilbert space depends on the choice of the orbitals, variational calculation steps of the two-particle density matrix are interspersed with orbital-optimization steps (based on Jacobi rotations in the space of the spatial orbitals). We also point to the importance of symmetry breaking of the orbitals when performing calculations in a doubly occupied framework.

  6. Relativistic hydrodynamics

    CERN Document Server

    Luciano, Rezzolla

    2013-01-01

    Relativistic hydrodynamics is a very successful theoretical framework to describe the dynamics of matter from scales as small as those of colliding elementary particles, up to the largest scales in the universe. This book provides an up-to-date, lively, and approachable introduction to the mathematical formalism, numerical techniques, and applications of relativistic hydrodynamics. The topic is typically covered either by very formal or by very phenomenological books, but is instead presented here in a form that will be appreciated both by students and researchers in the field. The topics covered in the book are the results of work carried out over the last 40 years, which can be found in rather technical research articles with dissimilar notations and styles. The book is not just a collection of scattered information, but a well-organized description of relativistic hydrodynamics, from the basic principles of statistical kinetic theory, down to the technical aspects of numerical methods devised for the solut...

  7. Matrix density alters zyxin phosphorylation, which limits peripheral process formation and extension in endothelial cells invading 3D collagen matrices.

    Science.gov (United States)

    Abbey, Colette A; Bayless, Kayla J

    2014-09-01

    This study was designed to determine the optimal conditions required for known pro-angiogenic stimuli to elicit successful endothelial sprouting responses. We used an established, quantifiable model of endothelial cell (EC) sprout initiation where ECs were tested for invasion in low (1 mg/mL) and high density (5 mg/mL) 3D collagen matrices. Sphingosine 1-phosphate (S1P) alone, or S1P combined with stromal derived factor-1α (SDF) and phorbol ester (TPA), elicited robust sprouting responses. The ability of these factors to stimulate sprouting was more effective in higher density collagen matrices. S1P stimulation resulted in a significant increase in invasion distance, and with the exception of treatment groups containing phorbol ester, invasion distance was longer in 1mg/mL compared to 5mg/mL collagen matrices. Closer examination of cell morphology revealed that increasing matrix density and supplementing with SDF and TPA enhanced the formation of multicellular structures more closely resembling capillaries. TPA enhanced the frequency and size of lumen formation and correlated with a robust increase in phosphorylation of p42/p44 Erk kinase, while S1P and SDF did not. Also, a higher number of significantly longer extended processes formed in 5mg/mL compared to 1mg/mL collagen matrices. Because collagen matrices at higher density have been reported to be stiffer, we tested for changes in the mechanosensitive protein, zyxin. Interestingly, zyxin phosphorylation levels inversely correlated with matrix density, while levels of total zyxin did not change significantly. Immunofluorescence and localization studies revealed that total zyxin was distributed evenly throughout invading structures, while phosphorylated zyxin was slightly more intense in extended peripheral processes. Silencing zyxin expression increased extended process length and number of processes, while increasing zyxin levels decreased extended process length. Altogether these data indicate that ECs

  8. Relativistic heavy-ion physics

    CERN Document Server

    Herrera Corral, G

    2010-01-01

    The study of relativistic heavy-ion collisions is an important part of the LHC research programme at CERN. This emerging field of research focuses on the study of matter under extreme conditions of temperature, density, and pressure. Here we present an introduction to the general aspects of relativistic heavy-ion physics. Afterwards we give an overview of the accelerator facility at CERN and then a quick look at the ALICE project as a dedicated experiment for heavy-ion collisions.

  9. Wigner Function:from Ensemble Average of Density Operator to Its One Matrix Element in Entangled Pure States

    Institute of Scientific and Technical Information of China (English)

    FAN Hong-Yi

    2002-01-01

    We show that the Wigner function W = Tr(△ρ) (an ensemble average of the density operator ρ, △ is theWigner operator) can be expressed as a matrix element of ρ in the entangled pure states. In doing so, converting fromquantum master equations to time-evolution equation of the Wigner functions seems direct and concise. The entangledstates are defined in the enlarged Fock space with a fictitious freedom.

  10. Relativistic astrophysics

    CERN Document Server

    Price, R H

    1993-01-01

    Work reported in the workshop on relativistic astrophysics spanned a wide varicy of topics. Two specific areas seemed of particular interest. Much attention was focussed on gravitational wave sources, especially on the waveforms they produce, and progress was reported in theoretical and observational aspects of accretion disks.

  11. Relativistic Kinematics

    OpenAIRE

    Sahoo, Raghunath

    2016-01-01

    This lecture note covers Relativistic Kinematics, which is very useful for the beginners in the field of high-energy physics. A very practical approach has been taken, which answers "why and how" of the kinematics useful for students working in the related areas.

  12. Relativistic Astrophysics

    International Nuclear Information System (INIS)

    Font, J. A.

    2015-01-01

    The relativistic astrophysics is the field of astrophysics employing the theory of relativity Einstein as physical-mathematical model is to study the universe. This discipline analyzes astronomical contexts in which the laws of classical mechanics of Newton's law of gravitation are not valid. (Author)

  13. Relativistic klystrons

    International Nuclear Information System (INIS)

    Allen, M.A.; Azuma, O.; Callin, R.S.

    1989-03-01

    Experimental work is underway by a SLAC-LLNL-LBL collaboration to investigate the feasibility of using relativistic klystrons as a power source for future high gradient accelerators. Two different relativistic klystron configurations have been built and tested to date: a high grain multicavity klystron at 11.4 GHz and a low gain two cavity subharmonic buncher driven at 5.7 GHz. In both configurations power is extracted at 11.4 GHz. In order to understand the basic physics issues involved in extracting RF from a high power beam, we have used both a single resonant cavity and a multi-cell traveling wave structure for energy extraction. We have learned how to overcome our previously reported problem of high power RF pulse shortening, and have achieved peak RF power levels of 170 MW with the RF pulse of the same duration as the beam current pulse. 6 refs., 3 figs., 3 tabs

  14. Gravitation relativiste

    CERN Document Server

    Hakim, Rémi

    1994-01-01

    Il existe à l'heure actuelle un certain nombre de théories relativistes de la gravitation compatibles avec l'expérience et l'observation. Toutefois, la relativité générale d'Einstein fut historiquement la première à fournir des résultats théoriques corrects en accord précis avec les faits.

  15. Relativistic klystron

    International Nuclear Information System (INIS)

    Marks, R.

    1985-09-01

    Theoretical analysis is presented of a relativisic klystron; i.e. a high-relativistic bunched electron beam which is sent through a succession of tuned cavities and has its energy replenished by periodic induction accelerator units. Parameters are given for a full-size device and for an experimental device using the FEL at the ETA; namely the ELF Facility. 6 refs., 2 figs

  16. Relativistic description of directly interacting pions and nucleons

    International Nuclear Information System (INIS)

    Heller, L.

    1976-01-01

    The expected magnitudes of the leading relativistic effects on an off-energy-shell T matrix element are estimated using the Bakamjian--Thomas formulation of relativistic potential theory. For pion-nucleon scattering at medium energy, the two largest corrections are expected to result from the use of relativistic relative momenta rather than nonrelativistic values. The importance of additional terms depends upon the detailed behavior of the T matrix

  17. Gamow-Jordan vectors and non-reducible density operators from higher-order S-matrix poles

    International Nuclear Information System (INIS)

    Bohm, A.; Loewe, M.; Maxson, S.; Patuleanu, P.; Puentmann, C.; Gadella, M.

    1997-01-01

    In analogy to Gamow vectors that are obtained from first-order resonance poles of the S-matrix, one can also define higher-order Gamow vectors which are derived from higher-order poles of the S-matrix. An S-matrix pole of r-th order at z R =E R -iΓ/2 leads to r generalized eigenvectors of order k=0,1,hor-ellipsis,r-1, which are also Jordan vectors of degree (k+1) with generalized eigenvalue (E R -iΓ/2). The Gamow-Jordan vectors are elements of a generalized complex eigenvector expansion, whose form suggests the definition of a state operator (density matrix) for the microphysical decaying state of this higher-order pole. This microphysical state is a mixture of non-reducible components. In spite of the fact that the k-th order Gamow-Jordan vectors has the polynomial time-dependence which one always associates with higher-order poles, the microphysical state obeys a purely exponential decay law. copyright 1997 American Institute of Physics

  18. Relativistic gravitational instabilities

    International Nuclear Information System (INIS)

    Schutz, B.F.

    1987-01-01

    The purpose of these lectures is to review and explain what is known about the stability of relativistic stars and black holes, with particular emphases on two instabilities which are due entirely to relativistic effects. The first of these is the post-Newtonian pulsational instability discovered independently by Chandrasekhar (1964) and Fowler (1964). This effectively ruled out the then-popular supermassive star model for quasars, and it sets a limit to the central density of white dwarfs. The second instability was also discovered by Chandrasekhar (1970): the gravitational wave induced instability. This sets an upper bound on the rotation rate of neutron stars, which is near that of the millisecond pulsar PSR 1937+214, and which is beginning to constrain the equation of state of neutron matter. 111 references, 5 figures

  19. Relativistic studies in actinides

    International Nuclear Information System (INIS)

    Weinberger, P.; Gonis, A.

    1987-01-01

    In this review the theoretical background is given for a relativistic description for actinide systems. A short introduction is given of the density functional theory which forms the basis for a fully relativistic single-particle theory. A section on the Dirac Hamiltonian is followed by a brief summary on group theoretical concepts. Single site scattering is presented such that formal extensions to the case of the presence of an internal (external) magnetic field and/or anisotropic scattering are evident. Multiple scattering is discussed such that it can readily be applied also to the problem of dislocations. In connection with the problem of selfconsistency particular attention is drawn to the use of complex energies. Finally the various theoretical aspects discussed are illustrated through the results of numerical calculations. 101 refs.; 37 figs.; 5 tabs

  20. Taming the pion condensation in QCD at finite baryon density: a numerical test in a random matrix model

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, Sinya [Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); Hanada, Masanori [Stanford Institute for Theoretical Physics, Stanford University,Stanford, CA 94305 (United States); Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); The Hakubi Center for Advanced Research, Kyoto University,Yoshida Ushinomiyacho, Sakyo-ku, Kyoto 606-8501 (Japan); Nakamura, Atsushi [Research Institute for Information Science and Education, Hiroshima University,Higashi-Hiroshima 739-8527 (Japan)

    2015-05-14

    In the Monte Carlo study of QCD at finite baryon density based upon the phase reweighting method, the pion condensation in the phase-quenched theory and associated zero-mode prevent us from going to the low-temperature high-density region. We propose a method to circumvent them by a simple modification of the density of state method. We first argue that the standard version of the density of state method, which is invented to solve the overlapping problem, is effective only for a certain ‘good’ class of observables. We then modify it so as to solve the overlap problem for ‘bad’ observables as well. While, in the standard version of the density of state method, we usually constrain an observable we are interested in, we fix a different observable in our new method which has a sharp peak at some particular value characterizing the correct vacuum of the target theory. In the finite-density QCD, such an observable is the pion condensate. The average phase becomes vanishingly small as the value of the pion condensate becomes large, hence it is enough to consider configurations with π{sup +}≃0, where the zero mode does not appear. We demonstrate an effectiveness of our method by using a toy model (the chiral random matrix theory) which captures the properties of finite-density QCD qualitatively. We also argue how to apply our method to other theories including finite-density QCD. Although the example we study numerically is based on the phase reweighting method, the same idea can be applied to more general reweighting methods and we show how this idea can be applied to find a possible QCD critical point.

  1. Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

    Science.gov (United States)

    Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

    2013-07-28

    We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.

  2. Relativistic ion acceleration by ultraintense laser interactions

    International Nuclear Information System (INIS)

    Nakajima, K.; Koga, J.K.; Nakagawa, K.

    2001-01-01

    There has been a great interest in relativistic particle generation by ultraintense laser interactions with matter. We propose the use of relativistically self-focused laser pulses for the acceleration of ions. Two dimensional PIC simulations are performed, which show the formation of a large positive electrostatic field near the front of a relativistically self-focused laser pulse. Several factors contribute to the acceleration including self-focusing distance, pulse depletion, and plasma density. Ultraintense laser-plasma interactions are capable of generating enormous electrostatic fields of ∼3 TV/m for acceleration of protons with relativistic energies exceeding 1 GeV

  3. One-nucleon removal reactions as a test of overlap functions from the one-body density matrix calculations

    International Nuclear Information System (INIS)

    Dimitrova, S.S.; Gaidarov, M.K.; Antonov, A.N.; Stoitsov, M.V.; Hodgson, P.E; Lukyanov, V.K.; Zemlyanaya, E.V.; Krumova, G.Z.

    1997-01-01

    Overlap functions and spectroscopic factors extracted from a model one-body density matrix (OBDM) accounting for short-range nucleon-nucleon correlations are used to calculate differential cross sections of (p, d) reactions and the momentum distributions of transitions to single-particle states in 16 O and 40 Ca. A comparison between the experimental (p, d) and (e, e'p) data, their DWBA and CDWIA analyses and the OBDM calculations is made. Our theoretical predictions for the spectroscopic factors are compared with the empirically extracted ones. It is shown that the overlap functions obtained within the Jastrow correlation method are applicable to the description of the quantities considered. (author)

  4. Electron paramagnetic resonance g-tensors from state interaction spin-orbit coupling density matrix renormalization group

    Science.gov (United States)

    Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

    2018-05-01

    We present a state interaction spin-orbit coupling method to calculate electron paramagnetic resonance g-tensors from density matrix renormalization group wavefunctions. We apply the technique to compute g-tensors for the TiF3 and CuCl42 - complexes, a [2Fe-2S] model of the active center of ferredoxins, and a Mn4CaO5 model of the S2 state of the oxygen evolving complex. These calculations raise the prospects of determining g-tensors in multireference calculations with a large number of open shells.

  5. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach

    Science.gov (United States)

    Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.

    2018-03-01

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  6. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach.

    Science.gov (United States)

    Prucker, V; Bockstedte, M; Thoss, M; Coto, P B

    2018-03-28

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  7. Off-diagonal helicity density matrix elements for vector mesons produced in polarized e+e- processes

    International Nuclear Information System (INIS)

    Anselmino, M.; Murgia, F.; Quintairos, P.

    1999-04-01

    Final state q q-bar interactions give origin to non zero values of the off-diagonal element ρ 1,-1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ, D * and K * 's. New predictions are given for ρ 1,-1 of several mesons produced at large x E and small p T - i.e. collinear with the parent jet - in the annihilation of polarized 3 + and 3 - , the results depend strongly on the elementary dynamics and allow further non trivial tests of the standard model. (author)

  8. Density induced phase transitions in the Schwinger model. A study with matrix product states

    Energy Technology Data Exchange (ETDEWEB)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2017-02-15

    We numerically study the zero temperature phase structure of the multiflavor Schwinger model at nonzero chemical potential. Using matrix product states, we reproduce analytical results for the phase structure for two flavors in the massless case and extend the computation to the massive case, where no analytical predictions are available. Our calculations allow us to locate phase transitions in the mass-chemical potential plane with great precision and provide a concrete example of tensor networks overcoming the sign problem in a lattice gauge theory calculation.

  9. Radiation dominated relativistic current sheets

    International Nuclear Information System (INIS)

    Jaroschek, C.H.

    2008-01-01

    Relativistic Current Sheets (RCS) feature plasma instabilities considered as potential key to magnetic energy dissipation and non-thermal particle generation in Poynting flux dominated plasma flows. We show in a series of kinetic plasma simulations that the physical nature of non-linear RCS evolution changes in the presence of incoherent radiation losses: In the ultra-relativistic regime (i.e. magnetization parameter sigma = 104 defined as the ratio of magnetic to plasma rest frame energy density) the combination of non-linear RCS dynamics and synchrotron emission introduces a temperature anisotropy triggering the growth of the Relativistic Tearing Mode (RTM). As direct consequence the RTM prevails over the Relativistic Drift Kink (RDK) Mode as competitive RCS instability. This is in contrast to the previously studied situation of weakly relativistic RCS (sigma ∼ 1) where the RDK is dominant and most of the plasma is thermalized. The simulations witness the typical life cycle of ultra-relativistic RCS evolving from a violent radiation induced collapse towards a radiation quiescent state in rather classical Sweet-Parker topology. Such a transition towards Sweet-Parker configuration in the late non-linear evolution has immediate consequences for the efficiency of magnetic energy dissipation and non-thermal particle generation. Ceasing dissipation rates directly affect our present understanding of non-linear RCS evolution in conventional striped wind scenarios. (author)

  10. Density matrix of a quantum field in a particle-creating background

    International Nuclear Information System (INIS)

    Gavrilov, S.P.; Gitman, D.M.; Tomazelli, J.L.

    2008-01-01

    We examine the time evolution of a quantized field in external backgrounds that violate the stability of vacuum (particle-creating backgrounds). Our purpose is to study the exact form of the final quantum state (the density operator at the final instant of time) that has emerged from a given arbitrary initial state (from a given arbitrary density operator at the initial time instant) in the course of evolution. We find a generating functional that allows one to obtain density operators for an arbitrary initial state. Averaging over states of the subsystem of antiparticles (particles), we obtain explicit forms of reduced density operators for the subsystem of particles (antiparticles). Analyzing one-particle correlation functions, we establish a one-to-one correspondence between these functions and the reduced density operators. It is shown that in the general case a presence of bosons (e.g., gluons) in the initial state increases the creation rate of the same type of bosons. We discuss the question (and its relation to the initial stage of quark-gluon plasma formation) whether a thermal form of one-particle distribution can appear even if the final state of the complete system is not in thermal equilibrium. In this respect, we discuss some cases when pair-creation by an electric-like field can mimic the one-particle thermal distribution. We apply our technics to some QFT problems in slowly varying electric-like backgrounds: electric, SU(3) chromoelectric, and metric. In particular, we analyze the time and temperature behavior of the mean numbers of created particles, provided that the effects of switching the external field on and off are negligible. It is demonstrated that at high temperatures and in slowly varying electric fields the rate of particle-creation is essentially time-dependent

  11. Density matrix of a quantum field in a particle-creating background

    Energy Technology Data Exchange (ETDEWEB)

    Gavrilov, S.P. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: gavrilovsergeyp@yahoo.com; Gitman, D.M. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: gitman@dfn.if.usp.br; Tomazelli, J.L. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: tomazelli@fsc.ufsc.br

    2008-06-01

    We examine the time evolution of a quantized field in external backgrounds that violate the stability of vacuum (particle-creating backgrounds). Our purpose is to study the exact form of the final quantum state (the density operator at the final instant of time) that has emerged from a given arbitrary initial state (from a given arbitrary density operator at the initial time instant) in the course of evolution. We find a generating functional that allows one to obtain density operators for an arbitrary initial state. Averaging over states of the subsystem of antiparticles (particles), we obtain explicit forms of reduced density operators for the subsystem of particles (antiparticles). Analyzing one-particle correlation functions, we establish a one-to-one correspondence between these functions and the reduced density operators. It is shown that in the general case a presence of bosons (e.g., gluons) in the initial state increases the creation rate of the same type of bosons. We discuss the question (and its relation to the initial stage of quark-gluon plasma formation) whether a thermal form of one-particle distribution can appear even if the final state of the complete system is not in thermal equilibrium. In this respect, we discuss some cases when pair-creation by an electric-like field can mimic the one-particle thermal distribution. We apply our technics to some QFT problems in slowly varying electric-like backgrounds: electric, SU(3) chromoelectric, and metric. In particular, we analyze the time and temperature behavior of the mean numbers of created particles, provided that the effects of switching the external field on and off are negligible. It is demonstrated that at high temperatures and in slowly varying electric fields the rate of particle-creation is essentially time-dependent.

  12. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    International Nuclear Information System (INIS)

    Chen, Xin

    2014-01-01

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems

  13. Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

    Science.gov (United States)

    Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole

    2018-03-21

    We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

  14. Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study

    Science.gov (United States)

    Theophilou, Iris; Lathiotakis, Nektarios N.; Helbig, Nicole

    2018-03-01

    We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

  15. Spin alignment and density matrix measurement in 28Si + 12C orbiting reaction

    International Nuclear Information System (INIS)

    Ray, A.; Shapira, D.; Halbert, M.L.; Gomez del Campo, J.; Kim, H.J.; Sullivan, J.P.; Shivakumar, B.; Mitchell, J.

    1990-01-01

    Gamma-ray angular correlations have been measured for the strongly damped reactions 12 C( 28 Si, 12 C) 28 Si between θ cm = (120 degree - 160 degree) for E cm = 43.5 and 48 MeV. We find that the density matrices for the 12 C(2 1 + ) and 28 Si states are almost diagonal with respect to the direction of motion of the outgoing particle. The measured density matrices and spin alignments are consistent with the picture of formation of a long-lived dinuclear complex undergoing orbiting, bending and wriggling motions, but not with those obtained from statistical compound nucleus or sticking model calculations. 17 refs., 2 figs., 1 tab

  16. Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

    Energy Technology Data Exchange (ETDEWEB)

    Yunoki, Shunji [Life Science Group, Tokyo Metropolitan Industrial Technology Research Institute, 2-11-1 Fukasawa, Setagaya-ku, Tokyo 158-0081 (Japan); Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori [Department of Sports Medicine and Joint Surgery, Graduate School of Medicine, Hokkaido University, Kita-15 Nishi-7, Sapporo, Hokkaido 060-8638 Japan (Japan); Ikoma, Toshiyuki; Tanaka, Junzo, E-mail: yunoki.shunji@iri-tokyo.jp [Department of Metallurgy and Ceramics Science, 2-12-1-S7-1, Ookayama, Meguro-ku, Tokyo 152-8550 (Japan)

    2011-02-15

    The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm{sup -3} and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 {+-} 0.48 and 0.651 {+-} 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

  17. Effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of hydroxyapatite-collagen composites as artificial bone materials

    International Nuclear Information System (INIS)

    Yunoki, Shunji; Sugiura, Hiroaki; Kondo, Eiji; Yasuda, Kazunori; Ikoma, Toshiyuki; Tanaka, Junzo

    2011-01-01

    The aim of this study was to evaluate the effects of increased collagen-matrix density on the mechanical properties and in vivo absorbability of porous hydroxyapatite (HAp)-collagen composites as artificial bone materials. Seven types of porous HAp-collagen composites were prepared from HAp nanocrystals and dense collagen fibrils. Their densities and HAp/collagen weight ratios ranged from 122 to 331 mg cm -3 and from 20/80 to 80/20, respectively. The flexural modulus and strength increased with an increase in density, reaching 2.46 ± 0.48 and 0.651 ± 0.103 MPa, respectively. The porous composites with a higher collagen-matrix density exhibited much higher mechanical properties at the same densities, suggesting that increasing the collagen-matrix density is an effective way of improving the mechanical properties. It was also suggested that other structural factors in addition to collagen-matrix density are required to achieve bone-like mechanical properties. The in vivo absorbability of the composites was investigated in bone defects of rabbit femurs, demonstrating that the absorption rate decreased with increases in the composite density. An exhaustive increase in density is probably limited by decreases in absorbability as artificial bones.

  18. Electronic structure of FeTiSb using relativistic and scalar-relativistic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Sahariya, Jagrati [Department of Physics, Manipal University Jaipur, Jaipur-303007, Rajasthan (India); Mund, H. S., E-mail: hmoond@gmail.com [Department of Physics, M. L. Sukhadia University, Udaipur-313001, Rajasthan (India)

    2016-05-06

    Electronic and magnetic properties of FeTiSb have been reported. The calculations are performed using spin polarized relativistic Korringa-Kohn-Rostoker scheme based on Green’s function method. Within SPR-KKR a fully relativistic and scalar-relativistic approaches have been used to investigate electronic structure of FeTiSb. Energy bands, total and partial density of states, atom specific magnetic moment along with total moment of FeTiSb alloys are presented.

  19. The localization-delocalization matrix and the electron-density-weighted connectivity matrix of a finite graphene nanoribbon reconstructed from kernel fragments.

    Science.gov (United States)

    Timm, Matthew J; Matta, Chérif F; Massa, Lou; Huang, Lulu

    2014-11-26

    Bader's quantum theory of atoms in molecules (QTAIM) and chemical graph theory, merged in the localization-delocalization matrices (LDMs) and the electron-density-weighted connectivity matrices (EDWCM), are shown to benefit in computational speed from the kernel energy method (KEM). The LDM and EDWCM quantum chemical graph matrices of a 66-atom C46H20 hydrogen-terminated armchair graphene nanoribbon, in 14 (2×7) rings of C2v symmetry, are accurately reconstructed from kernel fragments. (This includes the full sets of electron densities at 84 bond critical points and 19 ring critical points, and the full sets of 66 localization and 4290 delocalization indices (LIs and DIs).) The average absolute deviations between KEM and directly calculated atomic electron populations, obtained from the sum of the LIs and half of the DIs of an atom, are 0.0012 ± 0.0018 e(-) (∼0.02 ± 0.03%) for carbon atoms and 0.0007 ± 0.0003 e(-) (∼0.01 ± 0.01%) for hydrogen atoms. The integration errors in the total electron population (296 electrons) are +0.0003 e(-) for the direct calculation (+0.0001%) and +0.0022 e(-) for KEM (+0.0007%). The accuracy of the KEM matrix elements is, thus, probably of the order of magnitude of the combined precision of the electronic structure calculation and the atomic integrations. KEM appears capable of delivering not only the total energies with chemical accuracy (which is well documented) but also local and nonlocal properties accurately, including the DIs between the fragments (crossing fragmentation lines). Matrices of the intact ribbon, the kernels, the KEM-reconstructed ribbon, and errors are available as Supporting Information .

  20. ULTRA-RELATIVISTIC NUCLEI: A NEW FRONTIER

    International Nuclear Information System (INIS)

    MCLERRAN, L.

    1999-01-01

    The collisions of ultra-relativistic nuclei provide a window on the behavior of strong interactions at asymptotically high energies. They also will allow the authors to study the bulk properties of hadronic matter at very high densities

  1. Relativistic quantum similarities in atoms in position and momentum spaces

    International Nuclear Information System (INIS)

    Maldonado, P.; Sarsa, A.; Buendia, E.; Galvez, F.J.

    2011-01-01

    A study of different quantum similarity measures and their corresponding quantum similarity indices is carried out for the atoms from H to Lr (Z=1-103). Relativistic effects in both position and momentum spaces have been studied by comparing the relativistic values to the non-relativistic ones. We have used the atomic electron density in both position and momentum spaces obtained within relativistic and non-relativistic numerical-parameterized optimized effective potential approximations. -- Highlights: → Quantum similarity measures and indices in electronic structure of atoms. → Position and momentum electronic densities. → Similarity of relativistic and non-relativistic densities. → Similarity of core and valence regions of different atoms. → Dependence with Z along the Periodic Table.

  2. Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

    Science.gov (United States)

    Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

    2017-11-01

    Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

  3. Relativistic Astronomy

    Science.gov (United States)

    Zhang, Bing; Li, Kunyang

    2018-02-01

    The “Breakthrough Starshot” aims at sending near-speed-of-light cameras to nearby stellar systems in the future. Due to the relativistic effects, a transrelativistic camera naturally serves as a spectrograph, a lens, and a wide-field camera. We demonstrate this through a simulation of the optical-band image of the nearby galaxy M51 in the rest frame of the transrelativistic camera. We suggest that observing celestial objects using a transrelativistic camera may allow one to study the astronomical objects in a special way, and to perform unique tests on the principles of special relativity. We outline several examples that suggest transrelativistic cameras may make important contributions to astrophysics and suggest that the Breakthrough Starshot cameras may be launched in any direction to serve as a unique astronomical observatory.

  4. On the physics of relativistic double layers

    International Nuclear Information System (INIS)

    Carlqvist, P.

    1982-06-01

    A model of a strong, time-independent, and relativistic double layer is studied. Besides double layers having the electric field parallel to the current the model also describes a certain type of oblique double layers. The 'Langmuir condition' (ratio of ion current density to electron current density) as well as an expression for the potential drop of the double layer are derived. Furthermore, the distribution of charged particles, electric field, and potential within the double layer are clarified and discussed. It is found that the properties of relativistic double layers differ substantially from the properties of corresponding non-relativistic double layers. (Author)

  5. Progress on Complex Langevin simulations of a finite density matrix model for QCD

    Energy Technology Data Exchange (ETDEWEB)

    Bloch, Jacques [Univ. of Regensburg (Germany). Inst. for Theorectical Physics; Glesaan, Jonas [Swansea Univ., Swansea U.K.; Verbaarschot, Jacobus [Stony Brook Univ., NY (United States). Dept. of Physics and Astronomy; Zafeiropoulos, Savvas [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States); Heidelberg Univ. (Germany). Inst. for Theoretische Physik

    2018-04-01

    We study the Stephanov model, which is an RMT model for QCD at finite density, using the Complex Langevin algorithm. Naive implementation of the algorithm shows convergence towards the phase quenched or quenched theory rather than to intended theory with dynamical quarks. A detailed analysis of this issue and a potential resolution of the failure of this algorithm are discussed. We study the effect of gauge cooling on the Dirac eigenvalue distribution and time evolution of the norm for various cooling norms, which were specifically designed to remove the pathologies of the complex Langevin evolution. The cooling is further supplemented with a shifted representation for the random matrices. Unfortunately, none of these modifications generate a substantial improvement on the complex Langevin evolution and the final results still do not agree with the analytical predictions.

  6. Some features of excited states density matrix calculation and their pairing relations in conjugated systems

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.

    1982-01-01

    Direct PPP-type calculations of self-consistent (SC) density matrices for excited states are described and the corresponding 'thawn' molecular orbitals (MO) are discussed. Special attention is addressed to particular solutions arising in conjugated systems of a certain symmetry, and to their chemical implications. The U(2) and U(3) algebras are applied respectively to the 4-electron and 6-electron cases: a natural separation of excited states in different cases follows. A simple approach to the convergence problem for excited states is given. The complementarity relations, an alternative formulation of the pairing theorem valid for heteromolecules and non-alternant systems, allow some fruitful experimental applications. Together with the extended pairing relations shown here, they may help to rationalize general trends. (Author) [pt

  7. Relativistic Outflows from ADAFs

    Science.gov (United States)

    Becker, Peter; Subramanian, Prasad; Kazanas, Demosthenes

    2001-04-01

    Advection-dominated accretion flows (ADAFs) have a positive Bernoulli parameter, and are therefore gravitationally bound. The Newtonian ADAF model has been generalized recently to obtain the ADIOS model that includes outflows of energy and angular momentum, thereby allowing accretion to proceed self-consistently. However, the utilization of a Newtonian gravitational potential limits the ability of this model to describe the inner region of the disk, where any relativistic outflows are likely to originate. In this paper we modify the ADIOS scenario to incorporate a seudo - Newtonian potential, which approximates the effects of general relativity. The analysis yields a unique, self - similar solution for the structure of the coupled disk/wind system. Interesting features of the new solution include the relativistic character of the outflow in the vicinity of the radius of marginal stability, which represents the inner edge of the quasi-Keplerian disk in our model. Our self - similar model may therefore help to explain the origin of relativistic jets in active galaxies. At large distances the radial dependence of the accretion rate approachs the unique form dot M ∝ r^1/2, with an associated density variation given by ρ ∝ r-1. This density variation agrees with that implied by the dependence of the X-ray hard time lags on the Fourier frequency for a number of accreting galactic black hole candidates. While intriguing, the results of our self-similar model need to be confirmed in the future by incorporating a detailed physical description of the energization mechanism that drives the outflow, which is likely to be powered by the shear of the underlying accretion disk.

  8. Correlation between Microvascular Density and Matrix Metalloproteinase 11 Expression in Prostate Cancer Tissues: a Preliminary Study in Thailand.

    Science.gov (United States)

    Kanharat, Nongnuch; Tuamsuk, Panya

    2015-01-01

    Prostate cancer is a major concern of public health. Microvascular density (MVD) is one of the prognostic markers for various solid cancers. Matrix metalloproteinase 11 (MMP11) plays an important role in angiogenesis and changes in its expression level are known to be associated with tumor progression and clinical outcome. To investigate the relationship between MVD and MMP11 expression in prostatic adenocarcinoma tissues. The expression levels of MMP11 and MVD were analyzed immunohistochemically for 50 specimens of prostatic adenocarcinoma. MMP11 was mainly expressed in stromal cells but rarely seen in epithelial cells. Mean MVD was 36/mm2, and it was correlated significantly only with bone metastases. MVD was also significantly correlated with MMP11 expression (r=0.29, p=0.044). MMP11 may alter the stromal microenvironment of prostate cancer to stimulate tumor angiogenesis.

  9. Polarization observables in the longitudinal basis for pseudo-scalar meson photoproduction using a density matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Biplab Dey, Michael E. McCracken, David G. Ireland, Curtis A. Meyer

    2011-05-01

    The complete expression for the intensity in pseudo-scalar meson photoproduction with a polarized beam, target, and recoil baryon is derived using a density matrix approach that offers great economy of notation. A Cartesian basis with spins for all particles quantized along a single direction, the longitudinal beam direction, is used for consistency and clarity in interpretation. A single spin-quantization axis for all particles enables the amplitudes to be written in a manifestly covariant fashion with simple relations to those of the well-known CGLN formalism. Possible sign discrepancies between theoretical amplitude-level expressions and experimentally measurable intensity profiles are dealt with carefully. Our motivation is to provide a coherent framework for coupled-channel partial-wave analysis of several meson photoproduction reactions, incorporating recently published and forthcoming polarization data from Jefferson Lab.

  10. Unraveling multi-spin effects in rotational resonance nuclear magnetic resonance using effective reduced density matrix theory

    International Nuclear Information System (INIS)

    SivaRanjan, Uppala; Ramachandran, Ramesh

    2014-01-01

    A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R 2 ) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R 2 experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR

  11. Obtaining muonic density estimates via application of matrix formalism to proposed surface detector upgrade at the Pierre Auger Observatory

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, David; Engel, Ralph; Roth, Markus [Karlsruhe Institute of Technology, Karlsruhe (Germany); Collaboration: Pierre Auger-Collaboration

    2015-07-01

    Event-by-event identification of cosmic ray primary composition lends itself to enhanced event selection in the search for anisotropic arrival directions. Principally, the number of muons reaching Earth's surface in an extensive air shower is indicative of composition. The Pierre Auger Observatory seeks to capitalize on this axiom by improving reconstructed muonic density estimates via an upgrade to its surface detector array. This upgrade, consisting of placing a scintillator on top of each existing water Cherenkov detector, exploits the differing response of two detectors to muonic and electromagnetic particles. Exploitation of this difference may be expressed in a matrix formalism whose application to simulated proton and iron showers is presented here.

  12. Unraveling multi-spin effects in rotational resonance nuclear magnetic resonance using effective reduced density matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    SivaRanjan, Uppala; Ramachandran, Ramesh, E-mail: rramesh@iisermohali.ac.in [Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Sector 81, Manauli, P.O. Box-140306, Mohali, Punjab (India)

    2014-02-07

    A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R{sup 2}) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R{sup 2} experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR.

  13. The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling.

    Science.gov (United States)

    Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao; Schwerdtfeger, Christine; Mazziotti, David

    2013-08-07

    Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral tensor and the two-particle excitation amplitudes used in the parametric 2-electron reduced density matrix (p2RDM) algorithm. Because only O(r) auxiliary functions are needed in both of these approximations, our overall algorithm can be shown to scale as O(r(4)), where r is the number of single-particle basis functions. We apply our algorithm to several small molecules, hydrogen chains, and alkanes to demonstrate its low formal scaling and practical utility. Provided we use enough auxiliary functions, we obtain accuracy similar to that of the standard p2RDM algorithm, somewhere between that of CCSD and CCSD(T).

  14. Density-matrix renormalization group method for the conductance of one-dimensional correlated systems using the Kubo formula

    Science.gov (United States)

    Bischoff, Jan-Moritz; Jeckelmann, Eric

    2017-11-01

    We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems. The dynamical DMRG is used to compute the linear response of a finite system to an applied ac source-drain voltage; then the low-frequency finite-system response is extrapolated to the thermodynamic limit to obtain the dc conductance of an infinite system. The method is demonstrated on the one-dimensional spinless fermion model at half filling. Our method is able to replicate several predictions of the Luttinger liquid theory such as the renormalization of the conductance in a homogeneous conductor, the universal effects of a single barrier, and the resonant tunneling through a double barrier.

  15. Analysis of the half-projected Hartree--Fock function: density matrix, natural orbitals, and configuration interaction equivalence

    International Nuclear Information System (INIS)

    Smeyers, Y.G.; Delgado-Barrio, G.

    1976-01-01

    The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized

  16. Comparison of the iterated equation of motion approach and the density matrix formalism for the quantum Rabi model

    Science.gov (United States)

    Kalthoff, Mona; Keim, Frederik; Krull, Holger; Uhrig, Götz S.

    2017-05-01

    The density matrix formalism and the equation of motion approach are two semi-analytical methods that can be used to compute the non-equilibrium dynamics of correlated systems. While for a bilinear Hamiltonian both formalisms yield the exact result, for any non-bilinear Hamiltonian a truncation is necessary. Due to the fact that the commonly used truncation schemes differ for these two methods, the accuracy of the obtained results depends significantly on the chosen approach. In this paper, both formalisms are applied to the quantum Rabi model. This allows us to compare the approximate results and the exact dynamics of the system and enables us to discuss the accuracy of the approximations as well as the advantages and the disadvantages of both methods. It is shown to which extent the results fulfill physical requirements for the observables and which properties of the methods lead to unphysical results.

  17. Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

    KAUST Repository

    Kumar, Manoranjan

    2016-02-03

    An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.

  18. Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

    KAUST Repository

    Kumar, Manoranjan; Parvej, Aslam; Thomas, Simil; Ramasesha, S.; Soos, Z. G.

    2016-01-01

    An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.

  19. A unified treatment of the non-relativistic and relativistic hydrogen atom: Pt. 2

    International Nuclear Information System (INIS)

    Swainson, R.A.; Drake, G.W.F.

    1991-01-01

    This is the second in a series of three papers in which it is shown how the radial part of non-relativistic and relativistic hydrogenic bound-state calculations involving the Green functions can be presented in a unified manner. In this paper the non-relativistic Green function is examined in detail; new functional forms are presented and a clear mathematical progression is show to link these and most other known forms. A linear transformation of the four radial parts of the relativistic Green function is given which allows for the presentation of this function as a simple generalization of the non-relativistic Green function. Thus, many properties of the non-relativistic Green function are shown to have simple relativistic generalizations. In particular, new recursion relations of the radial parts of both the non-relativistic and relativistic Green functions are presented, along with new expressions for the double Laplace transforms and recursion relations between the radial matrix elements. (author)

  20. Increased serum cartilage oligomeric matrix protein levels and decreased patellar bone mineral density in patients with chondromalacia patellae.

    Science.gov (United States)

    Murphy, E; FitzGerald, O; Saxne, T; Bresnihan, B

    2002-11-01

    Chondromalacia patellae is a potentially disabling disorder characterised by features of patellar cartilage degradation. To evaluate markers of cartilage and bone turnover in patients with chondromalacia patellae. 18 patients with chondromalacia patellae were studied. Serum cartilage oligomeric matrix protein (s-COMP) and bone sialoprotein (s-BSP) levels were measured by enzyme linked immunosorbent assay (ELISA) and compared with those of age and sex matched healthy control subjects. Periarticular bone mineral density (BMD) of both knee joints was assessed by dual energy x ray absorptiometry (DXA). s-COMP levels were significantly raised in all patients with chondromalacia patellae compared with healthy control subjects (p=0.0001). s-BSP levels did not differ significantly between the groups (p=0.41). BMD of the patella was significantly reduced in patients with chondromalacia patellae compared with the control subjects (p=0.016). In patients with bilateral chondromalacia patellae, BMD of the patella was lower in the more symptomatic knee joint (p=0.005). Changes in periarticular BMD were localised to the patella and were not present in femoral regions. Neither s-COMP (p=0.18) nor s-BSP (p=0.40) levels correlated with patellar BMD. Increased s-COMP levels, reflecting cartilage degradation, and reduced BMD localised to the patella may represent clinically useful markers in the diagnosis and monitoring of patients with chondromalacia patellae. Measures of cartilage degradation did not correlate with loss of patellar bone density, suggesting dissociated pathophysiological mechanisms.

  1. Response function of an HPGe detector simulated through MCNP 4A varying the density and chemical composition of the matrix

    International Nuclear Information System (INIS)

    Leal A, B.; Mireles G, F.; Quirino T, L.; Pinedo, J.L.

    2005-01-01

    In the area of the Radiological Safety it is required of a calibrated detection system in energy and efficiency for the determination of the concentration in activity in samples that vary in chemical composition and by this in density. The area of Nuclear Engineering requires to find the grade of isotopic enrichment of the uranium of the Sub-critic Nuclear Chicago 9000 Mark. Given the experimental importance that has the determination from the curves of efficiency to the effects of establishing the quantitative results, is appealed to the simulation of the response function of the detector used in the Regional Center of Nuclear Studies inside the range of energy of 80 keV to 1400 keV varying the density of the matrix and the chemical composition by means of the application of the Monte Carlo code MCNP-4A. The obtained results in the simulation of the response function of the detector show a grade of acceptance in the range from 500 to 1400 keV energy, with a smaller percentage discrepancy to 10%, in the range of low energy that its go from 59 to 400 keV, the percentage discrepancy varies from 17% until 30%, which is manifested in the opposing isotopic relationship for 5 fuel rods of the Sub critic nuclear assemble. (Author)

  2. A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

    Science.gov (United States)

    Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; Lambrakos, Samuel G.; Moody, Nathan A.; Petillo, John J.; Yamaguchi, Hisato; Liu, Fangze

    2018-01-01

    Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al. [Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quantum yield, emittance, and emission models needed by beam optics codes are discussed.

  3. Theory of open quantum systems with bath of electrons and phonons and spins: many-dissipaton density matrixes approach.

    Science.gov (United States)

    Yan, YiJing

    2014-02-07

    This work establishes a strongly correlated system-and-bath dynamics theory, the many-dissipaton density operators formalism. It puts forward a quasi-particle picture for environmental influences. This picture unifies the physical descriptions and algebraic treatments on three distinct classes of quantum environments, electron bath, phonon bath, and two-level spin or exciton bath, as their participating in quantum dissipation processes. Dynamical variables for theoretical description are no longer just the reduced density matrix for system, but remarkably also those for quasi-particles of bath. The present theoretical formalism offers efficient and accurate means for the study of steady-state (nonequilibrium and equilibrium) and real-time dynamical properties of both systems and hybridizing environments. It further provides universal evaluations, exact in principle, on various correlation functions, including even those of environmental degrees of freedom in coupling with systems. Induced environmental dynamics could be reflected directly in experimentally measurable quantities, such as Fano resonances and quantum transport current shot noise statistics.

  4. Relativistic quantum mechanics and introduction to field theory

    Energy Technology Data Exchange (ETDEWEB)

    Yndurain, F.J. [Universidad Autonoma de Madrid (Spain). Dept. de Fisica Teorica

    1996-12-01

    The following topics were dealt with: relativistic transformations, the Lorentz group, Klein-Gordon equation, spinless particles, spin 1/2 particles, Dirac particle in a potential, massive spin 1 particles, massless spin 1 particles, relativistic collisions, S matrix, cross sections, decay rates, partial wave analysis, electromagnetic field quantization, interaction of radiation with matter, interactions in quantum field theory and relativistic interactions with classical sources.

  5. Relativistic quantum mechanics and introduction to field theory

    International Nuclear Information System (INIS)

    Yndurain, F.J.

    1996-01-01

    The following topics were dealt with: relativistic transformations, the Lorentz group, Klein-Gordon equation, spinless particles, spin 1/2 particles, Dirac particle in a potential, massive spin 1 particles, massless spin 1 particles, relativistic collisions, S matrix, cross sections, decay rates, partial wave analysis, electromagnetic field quantization, interaction of radiation with matter, interactions in quantum field theory and relativistic interactions with classical sources

  6. Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.

    Science.gov (United States)

    Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel

    2018-04-28

    In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.

  7. Theory of sum-frequency generation spectroscopy of adsorbed molecules using the density matrix method-broadband vibrational sum-frequency generation and applications

    International Nuclear Information System (INIS)

    Bonn, M; Ueba, H; Wolf, M

    2005-01-01

    A generalized theory of frequency- and time-resolved vibrational sum-frequency generation (SFG) spectroscopy of adsorbates at surfaces is presented using the density matrix formalism. Our theoretical treatment is specifically aimed at addressing issues that accompany the relatively novel SFG approach using broadband infrared pulses. The ultrashort duration of these pulses makes them ideally suited for time-resolved investigations, for which we present a complete theoretical treatment. A second key characteristic of these pulses is their large bandwidth and high intensity, which allow for highly non-linear effects, including vibrational ladder climbing of surface vibrations. We derive general expressions relating the density matrix to SFG spectra, and apply these expressions to specific experimental results by solving the coupled optical Bloch equations of the density matrix elements. Thus, we can theoretically reproduce recent experimentally demonstrated hot band SFG spectra using femtosecond broadband infrared excitation of carbon monoxide (CO) on a Ru(001) surface

  8. Linear response at the 4-component relativistic density-functional level: application to the frequency-dependent dipole polarizability of Hg, AuH and PtH2

    International Nuclear Information System (INIS)

    Salek, Pawel; Helgaker, Trygve; Saue, Trond

    2005-01-01

    We report the implementation and application of linear response density-functional theory (DFT) based on the 4-component relativistic Dirac-Coulomb Hamiltonian. The theory is cast in the language of second quantization and is based on the quasienergy formalism (Floquet theory), replacing the initial state dependence of the Runge-Gross theorem by periodic boundary conditions. Contradictions in causality and symmetry of the time arguments are thereby avoided and the exchange-correlation potential and kernel can be expressed as functional derivatives of the quasienergy. We critically review the derivation of the quasienergy analogues of the Hohenberg-Kohn theorem and the Kohn-Sham formalism and discuss the nature of the quasienergy exchange-correlation functional. Structure is imposed on the response equations in terms of Hermiticity and time-reversal symmetry. It is observed that functionals of spin and current densities, corresponding to time-antisymmetric operators, contribute to frequency-dependent and not static electric properties. Physically, this follows from the fact that only a time-dependent electric field creates a magnetic field. It is furthermore observed that hybrid functionals enhance spin polarization since only exact exchange contributes to anti-Hermitian trial vectors. We apply 4-component relativistic linear response DFT to the calculation of the frequency-dependent polarizability of the isoelectronic series Hg, AuH and PtH 2 . Unlike for the molecules, the effect of electron correlation on the polarizability of the mercury atom is very large, about 25%. We observe a remarkable performance of the local-density approximation (LDA) functional in reproducing the experimental frequency-dependent polarizability of this atom, clearly superior to that of the BLYP and B3LYP functionals. This allows us to extract Cauchy moments (S(-4) = 382.82 and S(-6) = 6090.89 a.u.) that we believe are superior to experiment since we go to higher order in the Cauchy

  9. The relativistic virial theorem

    International Nuclear Information System (INIS)

    Lucha, W.; Schoeberl, F.F.

    1989-11-01

    The relativistic generalization of the quantum-mechanical virial theorem is derived and used to clarify the connection between the nonrelativistic and (semi-)relativistic treatment of bound states. 12 refs. (Authors)

  10. On the dispersion characteristics of extraordinary mode in a relativistic fully degenerate electron plasma

    Science.gov (United States)

    Noureen, S.; Abbas, G.; Sarfraz, M.

    2018-01-01

    The study of relativistic degenerate plasmas is important in many astrophysical and laboratory environments. Using linearized relativistic Vlasov-Maxwell equations, a generalized expression for the plasma conductivity tensor is derived. Employing Fermi-Dirac distribution at zero temperature, the dispersion relation of the extraordinary mode in a relativistic degenerate electron plasma is investigated. The propagation characteristics are examined in different relativistic density ranges. The shifting of cutoff points due to relativistic effects is observed analytically and graphically. Non-relativistic and ultra-relativistic limiting cases are also presented.

  11. Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

    International Nuclear Information System (INIS)

    Ridder, Barbara; Foertsch, Tobias C.; Welle, Alexander; Mattes, Daniela S.; Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander; Meier, Michael A.R.; Breitling, Frank

    2016-01-01

    Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm"2. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm"2, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

  12. Development of a poly(dimethylacrylamide) based matrix material for solid phase high density peptide array synthesis employing a laser based material transfer

    Energy Technology Data Exchange (ETDEWEB)

    Ridder, Barbara [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Foertsch, Tobias C. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Welle, Alexander [Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Mattes, Daniela S. [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Bojnicic-Kninski, Clemens M. von; Loeffler, Felix F.; Nesterov-Mueller, Alexander [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Meier, Michael A.R., E-mail: m.a.r.meier@kit.edu [Institute of Organic Chemistry (IOC), Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 6, 76131 Karlsruhe (Germany); Breitling, Frank, E-mail: frank.breitling@kit.edu [Institute of Microstructure Technology (IMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany)

    2016-12-15

    Highlights: • New matrix material for peptide array synthesis from a ‘solid solvent’. • Resolution was increased with possible spot densities of up to 20.000 spots per cm{sup 2}. • The coupling depth and the effectiveness of washing steps analyzed by ToF-SIMS. • Adaptations and custom changes of the matrix material are possible. - Abstract: Poly(dimethylacrylamide) (PDMA) based matrix materials were developed for laser-based in situ solid phase peptide synthesis to produce high density arrays. In this specific array synthesis approach, amino acid derivatives are embedded into a matrix material, serving as a “solid” solvent material at room temperature. Then, a laser pulse transfers this mixture to the target position on a synthesis slide, where the peptide array is synthesized. Upon heating above the glass transition temperature of the matrix material, it softens, allowing diffusion of the amino acid derivatives to the synthesis surface and serving as a solvent for peptide bond formation. Here, we synthesized PDMA six-arm star polymers, offering the desired matrix material properties, using atom transfer radical polymerization. With the synthesized polymers as matrix material, we structured and synthesized arrays with combinatorial laser transfer. With densities of up to 20,000 peptide spots per cm{sup 2}, the resolution could be increased compared to the commercially available standard matrix material. Time-of-Flight Secondary Ion Mass Spectrometry experiments revealed the penetration behavior of an amino acid derivative into the prepared acceptor synthesis surface and the effectiveness of the washing protocols.

  13. Multiwavelength Observations of Relativistic Jets from General Relativistic Magnetohydrodynamic Simulations

    Directory of Open Access Journals (Sweden)

    Richard Anantua

    2018-03-01

    Full Text Available This work summarizes a program intended to unify three burgeoning branches of the high-energy astrophysics of relativistic jets: general relativistic magnetohydrodynamic (GRMHD simulations of ever-increasing dynamical range, the microphysical theory of particle acceleration under relativistic conditions, and multiwavelength observations resolving ever-decreasing spatiotemporal scales. The process, which involves converting simulation output into time series of images and polarization maps that can be directly compared to observations, is performed by (1 self-consistently prescribing models for emission, absorption, and particle acceleration and (2 performing time-dependent polarized radiative transfer. M87 serves as an exemplary prototype for this investigation due to its prominent and well-studied jet and the imminent prospect of learning much more from Event Horizon Telescope (EHT observations this year. Synthetic observations can be directly compared with real observations for observational signatures such as jet instabilities, collimation, relativistic beaming, and polarization. The simplest models described adopt the standard equipartition hypothesis; other models calculate emission by relating it to current density or shear. These models are intended for application to the radio jet instead of the higher frequency emission, the disk and the wind, which will be subjects of future investigations.

  14. Bone Mineral 31P and Matrix-Bound Water Densities Measured by Solid-State 1H and 31P MRI

    Science.gov (United States)

    Seifert, Alan C.; Li, Cheng; Rajapakse, Chamith S.; Bashoor- Zadeh, Mahdieh; Bhagat, Yusuf A.; Wright, Alexander C.; Zemel, Babette S.; Zavaliangos, Antonios; Wehrli, Felix W.

    2014-01-01

    Bone is a composite material consisting of mineral and hydrated collagen fractions. MRI of bone is challenging due to extremely short transverse relaxation times, but solid-state imaging sequences exist that can acquire the short-lived signal from bone tissue. Previous work to quantify bone density via MRI used powerful experimental scanners. This work seeks to establish the feasibility of MRI-based measurement on clinical scanners of bone mineral and collagen-bound water densities, the latter as a surrogate of matrix density, and to examine the associations of these parameters with porosity and donors’ age. Mineral and matrix-bound water images of reference phantoms and cortical bone from 16 human donors, ages 27-97 years, were acquired by zero-echo-time 31P and 1H MRI on whole body 7T and 3T scanners, respectively. Images were corrected for relaxation and RF inhomogeneity to obtain density maps. Cortical porosity was measured by micro-CT, and apparent mineral density by pQCT. MRI-derived densities were compared to x-ray-based measurements by least-squares regression. Mean bone mineral 31P density was 6.74±1.22 mol/L (corresponding to 1129±204 mg/cc mineral), and mean bound water 1H density was 31.3±4.2 mol/L (corresponding to 28.3±3.7 %v/v). Both 31P and bound water (BW) densities were correlated negatively with porosity (31P: R2 = 0.32, p bone mineralization ratio (expressed here as the ratio of 31P density to bound water density), which is proportional to true bone mineralization, was found to be uncorrelated with porosity, age, or pQCT density. This work establishes the feasibility of image-based quantification of bone mineral and bound water densities using clinical hardware. PMID:24846186

  15. The relativistic electron wave equation

    International Nuclear Information System (INIS)

    Dirac, P.A.M.

    1977-08-01

    The paper was presented at the European Conference on Particle Physics held in Budapest between the 4th and 9th July of 1977. A short review is given on the birth of the relativistic electron wave equation. After Schroedinger has shown the equivalence of his wave mechanics and the matrix mechanics of Heisenberg, a general transformation theory was developed by the author. This theory required a relativistic wave equation linear in delta/delta t. As the Klein--Gordon equation available at this time did not satisfy this condition the development of a new equation became necessary. The equation which was found gave the value of the electron spin and magnetic moment automatically. (D.P.)

  16. High performance computing of density matrix renormalization group method for 2-dimensional model. Parallelization strategy toward peta computing

    International Nuclear Information System (INIS)

    Yamada, Susumu; Igarashi, Ryo; Machida, Masahiko; Imamura, Toshiyuki; Okumura, Masahiko; Onishi, Hiroaki

    2010-01-01

    We parallelize the density matrix renormalization group (DMRG) method, which is a ground-state solver for one-dimensional quantum lattice systems. The parallelization allows us to extend the applicable range of the DMRG to n-leg ladders i.e., quasi two-dimension cases. Such an extension is regarded to bring about several breakthroughs in e.g., quantum-physics, chemistry, and nano-engineering. However, the straightforward parallelization requires all-to-all communications between all processes which are unsuitable for multi-core systems, which is a mainstream of current parallel computers. Therefore, we optimize the all-to-all communications by the following two steps. The first one is the elimination of the communications between all processes by only rearranging data distribution with the communication data amount kept. The second one is the avoidance of the communication conflict by rescheduling the calculation and the communication. We evaluate the performance of the DMRG method on multi-core supercomputers and confirm that our two-steps tuning is quite effective. (author)

  17. Quantum information aspects on bulk and nano interacting Fermi system: A spin-space density matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Afzali, R., E-mail: afzali@kntu.ac.ir [Department of Physics, K. N. Toosi University of Technology, Tehran, 15418 (Iran, Islamic Republic of); Ebrahimian, N., E-mail: n.ebrahimian@shahed.ac.ir [Department of Physics, Faculty of Basic Sciences, Shahed University, Tehran, 18155-159 (Iran, Islamic Republic of); Eghbalifar, B., E-mail: b.eghbali2011@yahoo.com [Department of Agricultural Management, Marvdasht Branch, Azad University, Marvdasht (Iran, Islamic Republic of)

    2016-10-07

    Highlights: • In contrast to a s-wave superconductor, the quantum correlation of the d-wave superconductor is sensitive to the change of the gap magnitude. • Quantum discord of the d-wave superconductor oscillates. • Quantum discord becomes zero at a characteristic length of the d-wave superconductor. • Quantum correlation strongly depends on the length of grain. Length of the superconductor lower, the quantum correlation length higher. • Quantum tripartite entanglement for a nano-scale d-wave superconductor is better than for a bulk d-wave superconductor. - Abstract: By approximating the energy gap, entering nano-size effect via gap fluctuation and calculating the Green's functions and the space-spin density matrix, the dependence of quantum correlation (entanglement, discord and tripartite entanglement) on the relative distance of two electron spins forming Cooper pairs, the energy gap and the length of bulk and nano interacting Fermi system (a nodal d-wave superconductor) is determined. In contrast to a s-wave superconductor, quantum correlation of the system is sensitive to the change of the gap magnitude and strongly depends on the length of the grain. Also, quantum discord oscillates. Furthermore, the entanglement length and the correlation length are investigated. Discord becomes zero at a characteristic length of the d-wave superconductor.

  18. Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

    Science.gov (United States)

    Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo

    2018-01-18

    The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.

  19. On particle creation by black holes. [Quantum mechanical state vector, gravitational collapse, Hermition scalar field, density matrix

    Energy Technology Data Exchange (ETDEWEB)

    Wald, R M [Chicago Univ., Ill. (USA). Lab. for Astrophysics and Space Research

    1975-11-01

    Hawking's analysis of particle creation by black holes is extended by explicity obtaining the expression for the quantum mechanical state vector PSI which results from particle creation starting from the vacuum during gravitational collapse. We first discuss the quantum field theory of a Hermitian scalar field in an external potential or in a curved but asymptotically flat spacetime with no horizon present. Making the necessary modification for the case when a horizon is present, we apply this theory for a massless Hermitian scalar field to get the state vector describing the steady state emission at late times for particle creation during gravitational collapse to a Schwarzschild black hole. We find that the state vector describing particle creation from the vacuum decomposes into a simple product of state vectors for each individual mode. The density matrix describing emission of particles to infinity by this particle creation process is found to be identical to that of black body emission. Thus, black hole emission agrees in complete detail with black body emission (orig./BJ).

  20. Variational minimization of atomic and molecular ground-state energies via the two-particle reduced density matrix

    International Nuclear Information System (INIS)

    Mazziotti, David A.

    2002-01-01

    Atomic and molecular ground-state energies are variationally determined by constraining the two-particle reduced density matrix (2-RDM) to satisfy positivity conditions. Because each positivity condition corresponds to correcting the ground-state energies for a class of Hamiltonians with two-particle interactions, these conditions collectively provide a new approach to many-body theory that, unlike perturbation theory, can capture significantly correlated phenomena including the multireference effects of potential-energy surfaces. The D, Q, and G conditions for the 2-RDM are extended through generalized lifting operators inspired from the formal solution of N-representability. These lifted conditions agree with the hierarchy of positivity conditions presented by Mazziotti and Erdahl [Phys. Rev. A 63, 042113 (2001)]. The connection between positivity and the formal solution explains how constraining higher RDMs to be positive semidefinite improves the N representability of the 2-RDM and suggests using pieces of higher positivity conditions that computationally scale like the D condition. With the D, Q, and G conditions as well as pieces of higher positivity the electronic energies for Be, LiH, H 2 O, and BH are computed through a primal-dual interior-point algorithm for positive semidefinite programming. The variational method produces potential-energy surfaces that are highly accurate even far from the equilibrium geometry where single-reference perturbation-based methods often fail to produce realistic energies

  1. Lagrangian formulation of a consistent relativistic guiding center theory

    International Nuclear Information System (INIS)

    Wimmel, H.K.

    1983-02-01

    A new relativistic guiding center mechanics is presented that conserves energy (in time-independent fields) and satisfies a Liouville's theorem. The theory reduces to Littlejohn's theory in the non-relativistic limit and agrees to leading orders in epsilon identical rsub(g)/L with the relativistic theory by Morozov and Solov'ev (which generally lacks a Liouville's theorem). The new theory is developed from an appropriate Lagrangian and is supplemented by a collisionless relativistic kinetic equation for the guiding centers. Moment equations for guiding center density and energy density are also derived. (orig.)

  2. CALCULATION OF THE PROTON-TRANSFER RATE USING DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS - INCLUSION OF THE PROTON EXCITED-STATES

    NARCIS (Netherlands)

    MAVRI, J; BERENDSEN, HJC

    1995-01-01

    The methodology for treatment of proton transfer processes by density matrix evolution (DME) with inclusion of many excited states is presented. The DME method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. 1993, 97, 13464) that simulates the dynamics of quantum systems embedded in a classical

  3. Analytical expression for a post-quench time evolution of the one-body density matrix of one-dimensional hard-core bosons

    NARCIS (Netherlands)

    De Nardis, J.; Caux, J.-S.

    2014-01-01

    We apply the logic of the quench action to give an exact analytical expression for the time evolution of the one-body density matrix after an interaction quench in the Lieb-Liniger model from the ground state of the free theory (BEC state) to the infinitely repulsive regime. In this limit there

  4. When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations.

    Science.gov (United States)

    Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T; Illas, Francesc

    2017-04-11

    All electron relativistic density functional theory (DFT) based calculations using numerical atom-centered orbitals have been carried out to explore the relative stability, atomic, and electronic structure of a series of stoichiometric TiO 2 anatase nanoparticles explicitly containing up to 1365 atoms as a function of size and morphology. The nanoparticles under scrutiny exhibit octahedral or truncated octahedral structures and span the 1-6 nm diameter size range. Initial structures were obtained using the Wulff construction, thus exhibiting the most stable (101) and (001) anatase surfaces. Final structures were obtained from geometry optimization with full relaxation of all structural parameters using both generalized gradient approximation (GGA) and hybrid density functionals. Results show that, for nanoparticles of a similar size, octahedral and truncated octahedral morphologies have comparable energetic stabilities. The electronic structure properties exhibit a clear trend converging to the bulk values as the size of the nanoparticles increases but with a marked influence of the density functional employed. Our results suggest that electronic structure properties, and hence reactivity, for the largest anatase nanoparticles considered in this study will be similar to those exhibited by even larger mesoscale particles or by bulk systems. Finally, we present compelling evidence that anatase nanoparticles become effectively bulklike when reaching a size of ∼20 nm diameter.

  5. Relativistic theory of gravity

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1985-01-01

    This work presents an unambiguous construction of the relativistic theory of gravity (RTG) in the framework of relativity and the geometrization principle. The gauge principle has been formulated, and the Lagrangian density of the gravitational field has thus been constructed. This theory explains the totality of the available experimental data on the solar system and predicts the existence of gravitational waves of the Faraday-Maxwell type. According to the RTG, the Universe is infinite and ''flat'', hence it follows that its matter density should be equal to its critical density. Therefore, an appreciable ''hidden mass'' exceeding the presently observed mass of the matter almost 40-fold should exist in the Universe in some form of the matter or other. In accordance with the RTG, a massive body having a finite density ceases to contract under gravitational forces within a finite interval of proper time. From the viewpoint of an external reference frame, the brightness of the body decreases exponentially (it is getting darker), but nothing extraordinary happens in this case because its density always remains finite and, for example, for a body with the mass of about 10 8 M 0 it is equal to 2 g/cm 3 . That is why it follows from the RTG that there could be no object whatsoever (black holes) in which gravitational collapse of matter develops to an infinite density. As has been shown, the presence of a cosmological term necessarily requires the introduction of a term with an explicit dependence on the Minkowski metrics. For the long-range gravitational forces the cosmological constant vanishes

  6. Is the relativistic approach really useful to nuclear reactions?

    CERN Document Server

    Miyazaki, K

    2003-01-01

    We have reconsidered the non-relativistic distorted-wave t-matrix approximation (NR-DWTA) for proton knockout (p,2p) reaction using modern high-quality phenomenological optical potentials and NN t-matrix. We have calculated 40Ca(p,2p) reactions at T_LAB=200MeV and compared the results with the relativistic distorted-wave impulse approximation (RDWIA) calculations. It is found that the NR-DWTA is superior to the RDWIA in consistent description of the cross section and the analyzing power. An immediate relativistic extension of the DWIA to the nuclear reaction has a problem.

  7. Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

    Science.gov (United States)

    Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

    2018-04-10

    X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

  8. Relativistic Linear Restoring Force

    Science.gov (United States)

    Clark, D.; Franklin, J.; Mann, N.

    2012-01-01

    We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

  9. Relativistic quantum logic

    International Nuclear Information System (INIS)

    Mittelstaedt, P.

    1983-01-01

    on the basis of the well-known quantum logic and quantum probability a formal language of relativistic quantum physics is developed. This language incorporates quantum logical as well as relativistic restrictions. It is shown that relativity imposes serious restrictions on the validity regions of propositions in space-time. By an additional postulate this relativistic quantum logic can be made consistent. The results of this paper are derived exclusively within the formal quantum language; they are, however, in accordance with well-known facts of relativistic quantum physics in Hilbert space. (author)

  10. Sensitivity of relativistic impulse approximation proton-nucleus elastic scattering calculations on relativistic mean-field parameterizations

    International Nuclear Information System (INIS)

    Hojsik, M.; Gmuca, S.

    1998-01-01

    Relativistic microscopic calculations are presented for proton elastic scattering from 40 Ca at 500 MeV. The underlying target densities are calculated within the framework of the relativistic mean-field theory with several parameter sets commonly in use. The self consistency of the scalar and vector densities (and thus to relativistic mean-field parameters) is investigated. Recently, the relativistic impulse approximation (RIA) has been widely and repeatedly used for the calculations of proton-nucleus scattering at intermediate energies. These calculations have exhibited significant improvements over the nonrelativistic approaches. The relativistic impulse approximation calculations. in particular, provide a dramatically better description of the spin observables, namely the analyzing power, A y , and the spin-rotation function, Q, at least for energies higher than 400 MeV. In the relativistic impulse approximation, the Dirac optical potential is obtained by folding of the local Lorentz-invariant amplitudes with the corresponding nuclear densities. For the spin zero targets the scalar and vector terms give the dominant contributions. Thus the scalar and vector nuclear densities (both, proton and neutron ones) play the dominant role in the relativistic impulse approximation. While the proton vector densities can be obtained by unfolding from the empirically known charge densities, all other densities used rely to a great extent on theoretical models. The various recipes are used to construct the neutron vector densities and the scalar densities for both, neutrons and protons. In this paper we will study the sensitivity of the relativistic impulse approximation results on the various sets of relativistic mean-field parameters currently in use

  11. POLAMI: Polarimetric Monitoring of Active Galactic Nuclei at Millimetre Wavelengths - III. Characterization of total flux density and polarization variability of relativistic jets

    Science.gov (United States)

    Agudo, Iván; Thum, Clemens; Ramakrishnan, Venkatessh; Molina, Sol N.; Casadio, Carolina; Gómez, José L.

    2018-01-01

    We report on the first results of the POLAMI (Polarimetric Monitoring of AGNs with Millimetre Wavelengths) programme, a simultaneous 3.5 and 1.3 mm full-Stokes-polarization monitoring of a sample of 36 of the brightest active galactic nuclei in the northern sky with the IRAM 30 m telescope. Through a systematic statistical study of data taken from 2006 October (from 2009 December for the case of the 1.3 mm observations) to 2014 August, we characterize the variability of the total flux density and linear polarization. We find that all sources in the sample are highly variable in total flux density at both 3.5 and 1.3 mm, as well as in spectral index, which (except in particularly prominent flares) is found to be optically thin between these two wavelengths. The total flux-density variability at 1.3 mm is found, in general, to be faster, and to have larger fractional amplitude and flatter power-spectral-density slopes than at 3.5 mm. The polarization degree is on average larger at 1.3 mm than at 3.5 mm, by a factor of 2.6. The variability of linear polarization degree is faster and has higher fractional amplitude than for total flux density, with the typical time-scales during prominent polarization peaks being significantly faster at 1.3 mm than at 3.5 mm. The polarization angle at both 3.5 and 1.3 mm is highly variable. Most of the sources show one or two excursions of >180° on time-scales from a few weeks to about a year during the course of our observations. The 3.5 and 1.3 mm polarization angle evolution follows each other rather well, although the 1.3 mm data show a clear preference to more prominent variability on the short time-scales, i.e. weeks. The data are compatible with multizone models of conical jets involving smaller emission regions for the shortest-wavelength emitting sites. Such smaller emitting regions should also be more efficient in energising particle populations, as implied by the coherent evolution of the spectral index and the total flux

  12. The determination of the Dirac density matrix of the d-dimensional harmonic oscillator for an arbitrary number of closed shells

    International Nuclear Information System (INIS)

    Howard, I.A.; March, N.H.; Nieto, L.M.

    2002-01-01

    In 1959, March and Young (Nucl. Phys. 12 237) rewrote the equation of motion for the Dirac density matrix γ(x, x 0 ) in terms of sum and difference variables. Here, γ(r-bar, r-bar 0 ) for the d-dimensional isotropic harmonic oscillator for an arbitrary number of closed shells is shown to satisfy, using the variables vertical bar r-bar + r-bar 0 vertical bar/2 and vertical bar r-bar - r-bar 0 vertical bar/2, a generalized partial differential equation embracing the March-Young equation for d=1. As applications, we take in turn the cases d=1, 2, 3 and 4, and obtain both the density matrix γ (r-bar, r-bar 0 ) and the diagonal density ρ(r)=γ(r-bar, r-bar 0 ) vertical bar r-bar 0 =r-bar, this diagonal element already being known to satisfy a third-order linear homogeneous differential equation for d=1 through 3. Some comments are finally made on the d-dimensional kinetic energy density, which is important for first-principles density functional theory in allowing one to bypass one-particle Schroedinger equations (the so-called Slater-Kohn-Sham equations). (author)

  13. Slowly rotating general relativistic superfluid neutron stars with relativistic entrainment

    International Nuclear Information System (INIS)

    Comer, G.L.

    2004-01-01

    Neutron stars that are cold enough should have two or more superfluids or supercondutors in their inner crusts and cores. The implication of superfluidity or superconductivity for equilibrium and dynamical neutron star states is that each individual particle species that forms a condensate must have its own, independent number density current and equation of motion that determines that current. An important consequence of the quasiparticle nature of each condensate is the so-called entrainment effect; i.e., the momentum of a condensate is a linear combination of its own current and those of the other condensates. We present here the first fully relativistic modeling of slowly rotating superfluid neutron stars with entrainment that is accurate to the second-order in the rotation rates. The stars consist of superfluid neutrons, superconducting protons, and a highly degenerate, relativistic gas of electrons. We use a relativistic σ-ω mean field model for the equation of state of the matter and the entrainment. We determine the effect of a relative rotation between the neutrons and protons on a star's total mass, shape, and Kepler, mass-shedding limit

  14. Relativistic modeling capabilities in PERSEUS extended MHD simulation code for HED plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hamlin, Nathaniel D., E-mail: nh322@cornell.edu [438 Rhodes Hall, Cornell University, Ithaca, NY, 14853 (United States); Seyler, Charles E., E-mail: ces7@cornell.edu [Cornell University, Ithaca, NY, 14853 (United States)

    2014-12-15

    We discuss the incorporation of relativistic modeling capabilities into the PERSEUS extended MHD simulation code for high-energy-density (HED) plasmas, and present the latest hybrid X-pinch simulation results. The use of fully relativistic equations enables the model to remain self-consistent in simulations of such relativistic phenomena as X-pinches and laser-plasma interactions. By suitable formulation of the relativistic generalized Ohm’s law as an evolution equation, we have reduced the recovery of primitive variables, a major technical challenge in relativistic codes, to a straightforward algebraic computation. Our code recovers expected results in the non-relativistic limit, and reveals new physics in the modeling of electron beam acceleration following an X-pinch. Through the use of a relaxation scheme, relativistic PERSEUS is able to handle nine orders of magnitude in density variation, making it the first fluid code, to our knowledge, that can simulate relativistic HED plasmas.

  15. Relativistic quantum mechanics; Mecanique quantique relativiste

    Energy Technology Data Exchange (ETDEWEB)

    Ollitrault, J.Y. [CEA Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique]|[Universite Pierre et Marie Curie, 75 - Paris (France)

    1998-12-01

    These notes form an introduction to relativistic quantum mechanics. The mathematical formalism has been reduced to the minimum in order to enable the reader to calculate elementary physical processes. The second quantification and the field theory are the logical followings of this course. The reader is expected to know analytical mechanics (Lagrangian and Hamiltonian), non-relativistic quantum mechanics and some basis of restricted relativity. The purpose of the first 3 chapters is to define the quantum mechanics framework for already known notions about rotation transformations, wave propagation and restricted theory of relativity. The next 3 chapters are devoted to the application of relativistic quantum mechanics to a particle with 0,1/5 and 1 spin value. The last chapter deals with the processes involving several particles, these processes require field theory framework to be thoroughly described. (A.C.) 2 refs.

  16. Towards relativistic quantum geometry

    Energy Technology Data Exchange (ETDEWEB)

    Ridao, Luis Santiago [Instituto de Investigaciones Físicas de Mar del Plata (IFIMAR), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Mar del Plata (Argentina); Bellini, Mauricio, E-mail: mbellini@mdp.edu.ar [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Funes 3350, C.P. 7600, Mar del Plata (Argentina); Instituto de Investigaciones Físicas de Mar del Plata (IFIMAR), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Mar del Plata (Argentina)

    2015-12-17

    We obtain a gauge-invariant relativistic quantum geometry by using a Weylian-like manifold with a geometric scalar field which provides a gauge-invariant relativistic quantum theory in which the algebra of the Weylian-like field depends on observers. An example for a Reissner–Nordström black-hole is studied.

  17. Relativistic Coulomb Fission

    Science.gov (United States)

    Norbury, John W.

    1992-01-01

    Nuclear fission reactions induced by the electromagnetic field of relativistic nuclei are studied for energies relevant to present and future relativistic heavy ion accelerators. Cross sections are calculated for U-238 and Pu-239 fission induced by C-12, Si-28, Au-197, and U-238 projectiles. It is found that some of the cross sections can exceed 10 b.

  18. Relativistic Shock Acceleration

    International Nuclear Information System (INIS)

    Duffy, P.; Downes, T.P.; Gallant, Y.A.; Kirk, J.G.

    1999-01-01

    In this paper we briefly review the basic theory of shock waves in relativistic hydrodynamics and magneto-hydrodynamics, emphasising some astrophysically interesting cases. We then present an overview of the theory of particle acceleration at such shocks describing the methods used to calculate the spectral indices of energetic particles. Recent results on acceleration at ultra-relativistic shocks are discussed. (author)

  19. Relativistic beaming and quasar statistics

    International Nuclear Information System (INIS)

    Orr, M.J.L.; Browne, I.W.A.

    1982-01-01

    The statistical predictions of a unified scheme for the radio emission from quasars are explored. This scheme attributes the observed differences between flat- and steep-spectrum quasars to projection and the effects of relativistic beaming of the emission from the nuclear components. We use a simple quasar model consisting of a compact relativistically beamed core with spectral index zero and unbeamed lobes, spectral index - 1, to predict the proportion of flat-spectrum sources in flux-limited samples selected at different frequencies. In our model this fraction depends on the core Lorentz factor, γ and we find that a value of approximately 5 gives satisfactory agreement with observation. In a similar way the model is used to construct the expected number/flux density counts for flat-spectrum quasars from the observed steep-spectrum counts. Again, good agreement with the observations is obtained if the average core Lorentz factor is about 5. Independent estimates of γ from observations of superluminal motion in quasars are of the same order of magnitude. We conclude that the statistical properties of quasars are entirely consistent with the predictions of simple relativistic-beam models. (author)

  20. Electronic structure of f1 actinide complexes. Pt. 3. Quasi-relativistic density functional calculations of the optical transition energies of PaX62-(X=F,Cl,Br,I)

    International Nuclear Information System (INIS)

    Kaltsoyannis, N.

    1998-01-01

    For pt.II see J. Organomet. Chem., vol.528, p.19, 1997. The four f→f transition energies of the single 5f-based electron of PaX 6 2- (X=F, Cl, Br, I) have been calculated using quasi-relativistic local density functional theory. Excellent agreement ( -1 ) between theory and experiment is obtained for PaCl 6 2- , PaBr 6 2- and PaI 6 2- by variation of the value of α in the Xα exchange-only functional. In contrast, more sophisticated calculational methods including non-local corrections fail to reproduce the experiments well. The PaF 6 2- results are less impressive (up to 1000 cm -1 discrepancy), possibly due to non-aufbau orbital occupations for certain values of α. The values of α employed lie in the range 0.79-0.85, somewhat higher than the most widely used value of 0.7. The theoretical basis for using such values is discussed. (orig.)

  1. Solutions to the relativistic precession model

    NARCIS (Netherlands)

    Ingram, A.; Motta, S.

    2014-01-01

    The relativistic precession model (RPM) can be used to obtain a precise measurement of the mass and spin of a black hole when the appropriate set of quasi-periodic oscillations is detected in the power-density spectrum of an accreting black hole. However, in previous studies, the solution of the RPM

  2. Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited valence bond wave functions

    Science.gov (United States)

    Chen, Zhenhua; Chen, Xun; Wu, Wei

    2013-04-01

    In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.

  3. Theoretical study of the relativistic molecular rotational g-tensor

    Energy Technology Data Exchange (ETDEWEB)

    Aucar, I. Agustín, E-mail: agustin.aucar@conicet.gov.ar; Gomez, Sergio S., E-mail: ssgomez@exa.unne.edu.ar [Institute for Modeling and Technological Innovation, IMIT (CONICET-UNNE) and Faculty of Exact and Natural Sciences, Northeastern University of Argentina, Avenida Libertad 5400, W3404AAS Corrientes (Argentina); Giribet, Claudia G.; Ruiz de Azúa, Martín C. [Physics Department, Faculty of Exact and Natural Sciences, University of Buenos Aires and IFIBA CONICET, Ciudad Universitaria, Pab. I, 1428 Buenos Aires (Argentina)

    2014-11-21

    An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH{sup +} (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH{sup +} systems. Only for the sixth-row Rn atom a significant deviation of this relation is found.

  4. Theoretical study of the relativistic molecular rotational g-tensor

    International Nuclear Information System (INIS)

    Aucar, I. Agustín; Gomez, Sergio S.; Giribet, Claudia G.; Ruiz de Azúa, Martín C.

    2014-01-01

    An original formulation of the relativistic molecular rotational g-tensor valid for heavy atom containing compounds is presented. In such formulation, the relevant terms of a molecular Hamiltonian for non-relativistic nuclei and relativistic electrons in the laboratory system are considered. Terms linear and bilinear in the nuclear rotation angular momentum and an external uniform magnetic field are considered within first and second order (relativistic) perturbation theory to obtain the rotational g-tensor. Relativistic effects are further analyzed by carrying out the linear response within the elimination of the small component expansion. Quantitative results for model systems HX (X=F, Cl, Br, I), XF (X=Cl, Br, I), and YH + (Y=Ne, Ar, Kr, Xe, Rn) are obtained both at the RPA and density functional theory levels of approximation. Relativistic effects are shown to be small for this molecular property. The relation between the rotational g-tensor and susceptibility tensor which is valid in the non-relativistic theory does not hold within the relativistic framework, and differences between both molecular parameters are analyzed for the model systems under study. It is found that the non-relativistic relation remains valid within 2% even for the heavy HI, IF, and XeH + systems. Only for the sixth-row Rn atom a significant deviation of this relation is found

  5. Relativistic Kinetic Theory

    Science.gov (United States)

    Vereshchagin, Gregory V.; Aksenov, Alexey G.

    2017-02-01

    Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

  6. Relativistic classical limit of quantum theory

    International Nuclear Information System (INIS)

    Shin, G.R.; Rafelski, J.

    1993-01-01

    We study the classical limit of the equal-time relativistic quantum transport theory. We discuss in qualitative terms the need to fold first the Wigner function with a coarse-graining function. Only then does the singularity at ℎ→0 seem to be manageable. In the limit ℎ→0, we obtain the relativistic Vlasov equations for the particle and the antiparticle sector of the Fock space. Similarly, we address the evolution equations of the spin and the magnetic-moment density

  7. Density profiles of small Dirac operator eigenvalues for two color QCD at nonzero chemical potential compared to matrix models

    OpenAIRE

    Akemann, G; Bittner, E; Lombardo, M; Markum, H; Pullirsch, R

    2004-01-01

    We investigate the eigenvalue spectrum of the staggered Dirac matrix in two color QCD at finite chemical potential. The profiles of complex eigenvalues close to the origin are compared to a complex generalization of the chiral Gaussian Symplectic Ensemble, confirming its predictions for weak and strong non-Hermiticity. They differ from the QCD symmetry class with three colors by a level repulsion from both the real and imaginary axis.

  8. Density profiles of small Dirac operator eigenvalues for two color QCD at nonzero chemical potential compared to matrix models

    International Nuclear Information System (INIS)

    Akemann, Gernot; Bittner, Elmar; Lombardo, Maria-Paola; Markum, Harald; Pullirsch, Rainer

    2005-01-01

    We investigate the eigenvalue spectrum of the staggered Dirac matrix in two color QCD at finite chemical potential. The profiles of complex eigenvalues close to the origin are compared to a complex generalization of the chiral Gaussian Symplectic Ensemble, confirming its predictions for weak and strong non-Hermiticity. They differ from the QCD symmetry class with three colors by a level repulsion from both the real and imaginary axis

  9. Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems

    International Nuclear Information System (INIS)

    Meer, R. van; Gritsenko, O. V.; Baerends, E. J.

    2014-01-01

    Time dependent density matrix functional theory in its adiabatic linear response formulation delivers exact excitation energies ω α and oscillator strengths f α for two-electron systems if extended to the so-called phase including natural orbital (PINO) theory. The Löwdin-Shull expression for the energy of two-electron systems in terms of the natural orbitals and their phases affords in this case an exact phase-including natural orbital functional (PILS), which is non-primitive (contains other than just J and K integrals). In this paper, the extension of the PILS functional to N-electron systems is investigated. With the example of an elementary primitive NO functional (BBC1) it is shown that current density matrix functional theory ground state functionals, which were designed to produce decent approximations to the total energy, fail to deliver a qualitatively correct structure of the (inverse) response function, due to essential deficiencies in the reconstruction of the two-body reduced density matrix (2RDM). We now deduce essential features of an N-electron functional from a wavefunction Ansatz: The extension of the two-electron Löwdin-Shull wavefunction to the N-electron case informs about the phase information. In this paper, applications of this extended Löwdin-Shull (ELS) functional are considered for the simplest case, ELS(1): one (dissociating) two-electron bond in the field of occupied (including core) orbitals. ELS(1) produces high quality ω α (R) curves along the bond dissociation coordinate R for the molecules LiH, Li 2 , and BH with the two outer valence electrons correlated. All of these results indicate that response properties are much more sensitive to deficiencies in the reconstruction of the 2RDM than the ground state energy, since derivatives of the functional with respect to both the NOs and the occupation numbers need to be accurate

  10. Majorana zero modes and long range edge correlation in interacting Kitaev chains: analytic solutions and density-matrix-renormalization-group study.

    Science.gov (United States)

    Miao, Jian-Jian; Jin, Hui-Ke; Zhang, Fu-Chun; Zhou, Yi

    2018-01-11

    We study Kitaev model in one-dimension with open boundary condition by using exact analytic methods for non-interacting system at zero chemical potential as well as in the symmetric case of Δ = t, and by using density-matrix-renormalization-group method for interacting system with nearest neighbor repulsion interaction. We suggest and examine an edge correlation function of Majorana fermions to characterize the long range order in the topological superconducting states and study the phase diagram of the interating Kitaev chain.

  11. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    Science.gov (United States)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  12. Plasma relativistic microwave electronics

    International Nuclear Information System (INIS)

    Kuzelev, M.V.; Loza, O.T.; Rukhadze, A.A.; Strelkov, P.S.; Shkvarunets, A.G.

    2001-01-01

    One formulated the principles of plasma relativistic microwave electronics based on the induced Cherenkov radiation of electromagnetic waves at interaction of a relativistic electron beam with plasma. One developed the theory of plasma relativistic generators and accelerators of microwave radiation, designed and studied the prototypes of such devices. One studied theoretically the mechanisms of radiation, calculated the efficiencies and the frequency spectra of plasma relativistic microwave generators and accelerators. The theory findings are proved by the experiment: intensity of the designed sources of microwave radiation is equal to 500 μW, the frequency of microwave radiation is increased by 7 times (from 4 up to 28 GHz), the width of radiation frequency band may vary from several up to 100%. The designed sources of microwave radiation are no else compared in the electronics [ru

  13. Relativistic stars in vector-tensor theories

    Science.gov (United States)

    Kase, Ryotaro; Minamitsuji, Masato; Tsujikawa, Shinji

    2018-04-01

    We study relativistic star solutions in second-order generalized Proca theories characterized by a U (1 )-breaking vector field with derivative couplings. In the models with cubic and quartic derivative coupling, the mass and radius of stars become larger than those in general relativity for negative derivative coupling constants. This phenomenon is mostly attributed to the increase of star radius induced by a slower decrease of the matter pressure compared to general relativity. There is a tendency that the relativistic star with a smaller mass is not gravitationally bound for a low central density and hence is dynamically unstable, but that with a larger mass is gravitationally bound. On the other hand, we show that the intrinsic vector-mode couplings give rise to general relativistic solutions with a trivial field profile, so the mass and radius are not modified from those in general relativity.

  14. Nonlinear relativistic plasma resonance: Renormalization group approach

    Energy Technology Data Exchange (ETDEWEB)

    Metelskii, I. I., E-mail: metelski@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kovalev, V. F., E-mail: vfkvvfkv@gmail.com [Dukhov All-Russian Research Institute of Automatics (Russian Federation); Bychenkov, V. Yu., E-mail: bychenk@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2017-02-15

    An analytical solution to the nonlinear set of equations describing the electron dynamics and electric field structure in the vicinity of the critical density in a nonuniform plasma is constructed using the renormalization group approach with allowance for relativistic effects of electron motion. It is demonstrated that the obtained solution describes two regimes of plasma oscillations in the vicinity of the plasma resonance— stationary and nonstationary. For the stationary regime, the spatiotemporal and spectral characteristics of the resonantly enhanced electric field are investigated in detail and the effect of the relativistic nonlinearity on the spatial localization of the energy of the plasma relativistic field is considered. The applicability limits of the obtained solution, which are determined by the conditions of plasma wave breaking in the vicinity of the resonance, are established and analyzed in detail for typical laser and plasma parameters. The applicability limits of the earlier developed nonrelativistic theories are refined.

  15. Theory of relativistic radiation reflection from plasmas

    Science.gov (United States)

    Gonoskov, Arkady

    2018-01-01

    We consider the reflection of relativistically strong radiation from plasma and identify the physical origin of the electrons' tendency to form a thin sheet, which maintains its localisation throughout its motion. Thereby, we justify the principle of relativistic electronic spring (RES) proposed in [Gonoskov et al., Phys. Rev. E 84, 046403 (2011)]. Using the RES principle, we derive a closed set of differential equations that describe the reflection of radiation with arbitrary variation of polarization and intensity from plasma with an arbitrary density profile for an arbitrary angle of incidence. We confirm with ab initio PIC simulations that the developed theory accurately describes laser-plasma interactions in the regime where the reflection of relativistically strong radiation is accompanied by significant, repeated relocation of plasma electrons. In particular, the theory can be applied for the studies of plasma heating and coherent and incoherent emissions in the RES regime of high-intensity laser-plasma interaction.

  16. Viscous photons in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Dion, Maxime; Paquet, Jean-Francois; Young, Clint; Jeon, Sangyong; Gale, Charles; Schenke, Bjoern

    2011-01-01

    Theoretical studies of the production of real thermal photons in relativistic heavy ion collisions at the Relativistic Heavy Ion Collider (RHIC) are performed. The space-time evolution of the colliding system is modelled using music, a 3+1D relativistic hydrodynamic simulation, using both its ideal and viscous versions. The inclusive spectrum and its azimuthal angular anisotropy are studied separately, and the relative contributions of the different photon sources are highlighted. It is shown that the photon v 2 coefficient is especially sensitive to the details of the microscopic dynamics like the equation of state, the ratio of shear viscosity over entropy density, η/s, and to the morphology of the initial state.

  17. The relativistic rocket

    Energy Technology Data Exchange (ETDEWEB)

    Antippa, Adel F [Departement de Physique, Universite du Quebec a Trois-Rivieres, Trois-Rivieres, Quebec G9A 5H7 (Canada)

    2009-05-15

    We solve the problem of the relativistic rocket by making use of the relation between Lorentzian and Galilean velocities, as well as the laws of superposition of successive collinear Lorentz boosts in the limit of infinitesimal boosts. The solution is conceptually simple, and technically straightforward, and provides an example of a powerful method that can be applied to a wide range of special relativistic problems of linear acceleration.

  18. Exact Relativistic `Antigravity' Propulsion

    Science.gov (United States)

    Felber, Franklin S.

    2006-01-01

    The Schwarzschild solution is used to find the exact relativistic motion of a payload in the gravitational field of a mass moving with constant velocity. At radial approach or recession speeds faster than 3-1/2 times the speed of light, even a small mass gravitationally repels a payload. At relativistic speeds, a suitable mass can quickly propel a heavy payload from rest nearly to the speed of light with negligible stresses on the payload.

  19. Relativistic Quantum Revivals

    International Nuclear Information System (INIS)

    Strange, P.

    2010-01-01

    Quantum revivals are now a well-known phenomena within nonrelativistic quantum theory. In this Letter we display the effects of relativity on revivals and quantum carpets. It is generally believed that revivals do not occur within a relativistic regime. Here we show that while this is generally true, it is possible, in principle, to set up wave packets with specific mathematical properties that do exhibit exact revivals within a fully relativistic theory.

  20. Relativistic viscoelastic fluid mechanics

    International Nuclear Information System (INIS)

    Fukuma, Masafumi; Sakatani, Yuho

    2011-01-01

    A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for the propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.

  1. Relativistic viscoelastic fluid mechanics.

    Science.gov (United States)

    Fukuma, Masafumi; Sakatani, Yuho

    2011-08-01

    A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for the propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.

  2. Dissipative relativistic hydrodynamics

    International Nuclear Information System (INIS)

    Imshennik, V.S.; Morozov, Yu.I.

    1989-01-01

    Using the comoving reference frame in the general non-inertial case, the relativistic hydrodynamics equations are derived with an account for dissipative effects in the matter. From the entropy production equation, the exact from for the dissipative tensor components is obtained. As a result, the closed system of equations of dissipative relativistic hydrodynamics is obtained in the comoving reference frame as a relativistic generalization of the known Navier-Stokes equations for Lagrange coordinates. Equations of relativistic hydrodynamics with account for dissipative effects in the matter are derived using the assocoated reference system in general non-inertial case. True form of the dissipative tensor components is obtained from entropy production equation. Closed system of equations for dissipative relativistic hydrodynamics is obtained as a result in the assocoated reference system (ARS) - relativistic generalization of well-known Navier-Stokes equations for Lagrange coordinates. Equation system, obtained in this paper for ARS, may be effectively used in numerical models of explosive processes with 10 51 erg energy releases which are characteristic for flashes of supernovae, if white dwarf type compact target suggested as presupernova

  3. Parton distribution in relativistic hadrons

    International Nuclear Information System (INIS)

    Kopeliovich, B.Z.; Lapidus, L.I.; Zamolodchikov, Al.B.

    1979-01-01

    The distribution in the slow-parton number in the relativistic hadron is considered as a function of its rapidity (y). Neglecting corrections due to the tarton chain recombination the equation is derived and its explicit solution is found. It describes this distribution depending on the initial distribution at y approximately 1. Comparison with the reggeon diagrams results in relations between the parton model and the regaeon field theory parameters. The interpretation of the cutting rules in the framework of the parton model is presented. The numerical estimation of the parton model parameters is performed. It is shown that the slow-parton density corresponding to accessible energies seems to be close to the saturated density. Therefore, the enhanced graphs contributions turn out to be of considerable importance

  4. Influence of food matrix on absorption of flavour compounds by linear low-density polyethylene: proteins and carbohydrates

    NARCIS (Netherlands)

    Willige, van R.W.G.; Linssen, J.P.H.; Voragen, A.G.J.

    2000-01-01

    The influence of oil and food components in real food products on the absorption of four flavour compounds (limonene, decanal, linalool and ethyl 2-methyl butyrate) into linear low-density polyethylene (LLDPE) was studied using a large volume injection GC in vial extraction method. Model food

  5. Dynamic impact response of high-density square honeycombs made of TRIP steel and TRIP matrix composite material

    Directory of Open Access Journals (Sweden)

    Weigelt C.

    2012-08-01

    Full Text Available Two designs of square-celled metallic honeycomb structures fabricated by a modified extrusion technology based on a powder feedstock were investigated. The strength and ductility of these cellular materials are achieved by an austenitic CrNi (AISI 304 steel matrix particle reinforced by an MgO partially-stabilized zirconia building up their cell wall microstructure. Similar to the mechanical behaviour of the bulk materials, the strengthening mechanism and the martensitic phase transformations in the cell walls are affected by the deformation temperature and the nominal strain rate. The microstructure evolution during quasi-static and dynamic impact compression up to high strain rates of 103 1/s influences the buckling and failure behaviour of the honeycomb structures. In contrast to bending-dominated quasi-isotropic networks like open-celled metal foams, axial compressive loading to the honeycomb’s channels causes membrane stretching as well as crushing of the vertical cell node elements and cell walls. The presented honeycomb materials differ geometrically in their cell wall thickness-to-cell size-ratio. Therefore, the failure behaviour is predominantly controlled by global buckling and torsional-flexural buckling, respectively, accompanied by plastic matrix flow and strengthening of the cell wall microstructure.

  6. Microstructural Characterization of a Mg Matrix U-Mo Dispersion Fuel Plate Irradiated in the Advanced Test Reactor to High Fission Density: SEM Results

    Science.gov (United States)

    Keiser, Dennis D.; Jue, Jan-Fong; Miller, Brandon D.; Gan, Jian; Robinson, Adam B.; Medvedev, Pavel G.; Madden, James W.; Moore, Glenn A.

    2016-06-01

    Low-enriched (U-235 RERTR-8 experiment at high temperature, high fission rate, and high power, up to high fission density. This paper describes the results of the scanning electron microscopy (SEM) analysis of an irradiated fuel plate using polished samples and those produced with a focused ion beam. A follow-up paper will discuss the results of transmission electron microscopy (TEM) analysis. Using SEM, it was observed that even at very aggressive irradiation conditions, negligible chemical interaction occurred between the irradiated U-7Mo fuel particles and Mg matrix; no interconnection of fission gas bubbles from fuel particle to fuel particle was observed; the interconnected fission gas bubbles that were observed in the irradiated U-7Mo particles resulted in some transport of solid fission products to the U-7Mo/Mg interface; the presence of microstructural pathways in some U-9.1 Mo particles that could allow for transport of fission gases did not result in the apparent presence of large porosity at the U-7Mo/Mg interface; and, the Mg-Al interaction layers that were present at the Mg matrix/Al 6061 cladding interface exhibited good radiation stability, i.e. no large pores.

  7. Relativistic BCS-BEC Crossover at Quark Level

    Directory of Open Access Journals (Sweden)

    Zhuang P.

    2010-10-01

    Full Text Available The non-relativistic G0G formalism of BCS-BEC crossover at finite temperature is extended to relativistic fermion systems. The theory recovers the BCS mean field approximation at zero temperature and the non-relativistic results in a proper limit. For massive fermions, when the coupling strength increases, there exist two crossovers from the weak coupling BCS superfluid to the non-relativistic BEC state and then to the relativistic BEC state. For color superconductivity at moderate baryon density, the matter is in the BCS-BEC crossover region, and the behavior of the pseudogap is quite similar to that found in high temperature superconductors.

  8. Relativistic collective diffusion in one-dimensional systems

    Science.gov (United States)

    Lin, Gui-Wu; Lam, Yu-Yiu; Zheng, Dong-Qin; Zhong, Wei-Rong

    2018-05-01

    The relativistic collective diffusion in one-dimensional molecular system is investigated through nonequilibrium molecular dynamics with Monte Carlo methods. We have proposed the relationship among the speed, the temperature, the density distribution and the collective diffusion coefficient of particles in a relativistic moving system. It is found that the relativistic speed of the system has no effect on the temperature, but the collective diffusion coefficient decreases to zero as the velocity of the system approaches to the speed of light. The collective diffusion coefficient is modified as D‧ = D(1 ‑w2 c2 )3 2 for satisfying the relativistic circumstances. The present results may contribute to the understanding of the behavior of the particles transport diffusion in a high speed system, as well as enlighten the study of biological metabolism at relativistic high speed situation.

  9. Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

    International Nuclear Information System (INIS)

    Habershon, Scott

    2013-01-01

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency

  10. Path integral density matrix dynamics: a method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems.

    Science.gov (United States)

    Habershon, Scott

    2013-09-14

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  11. Measurement of the spin density matrix for the $\\rho^0$, $K^{*0}(892)$ and $\\phi$ produced in $Z^0$ Decays

    CERN Document Server

    Abreu, P; Adye, T; Alekseev, G D; Alemany, R; Allport, P P; Almehed, S; Amaldi, Ugo; Amato, S; Andersson, P; Andreazza, A; Antilogus, P; Apel, W D; Arnoud, Y; Åsman, B; Augustin, J E; Augustinus, A; Baillon, Paul; Bambade, P; Barão, F; Barbi, M S; Barbiellini, Guido; Bardin, Dimitri Yuri; Barker, G; Baroncelli, A; Bärring, O; Bates, M J; Battaglia, Marco; Baubillier, M; Baudot, J; Becks, K H; Begalli, M; Beillière, P; Belokopytov, Yu A; Benvenuti, Alberto C; Bérat, C; Berggren, M; Bertini, D; Bertrand, D; Besançon, M; Bianchi, F; Bigi, M; Bilenky, S M; Billoir, P; Bizouard, M A; Bloch, D; Blume, M; Bonesini, M; Bonivento, W; Booth, P S L; Borgland, A W; Borisov, G; Bosio, C; Botner, O; Boudinov, E; Bouquet, B; Bourdarios, C; Bowcock, T J V; Bozzo, M; Branchini, P; Brand, K D; Brenke, T; Brenner, R A; Bricman, C; Brown, R C A; Brückman, P; Brunet, J M; Bugge, L; Buran, T; Burgsmüller, T; Buschmann, P; Cabrera, S; Caccia, M; Calvi, M; Camacho-Rozas, A J; Camporesi, T; Canale, V; Canepa, M; Cao, F; Carena, F; Carroll, L; Caso, Carlo; Castillo-Gimenez, M V; Cattai, A; Cavallo, F R; Chabaud, V; Chapkin, M M; Charpentier, P; Chaussard, L; Checchia, P; Chelkov, G A; Chen, M; Chierici, R; Chliapnikov, P V; Chochula, P; Chorowicz, V; Chudoba, J; Cindro, V; Collins, P; Contri, R; Cortina, E; Cosme, G; Cossutti, F; Cowell, J H; Crawley, H B; Crennell, D J; Crosetti, G; Cuevas-Maestro, J; Czellar, S; Dahm, J; D'Almagne, B; Dam, M; Damgaard, G; Dauncey, P D; Davenport, Martyn; Da Silva, W; Deghorain, A; Della Ricca, G; Delpierre, P A; Demaria, N; De Angelis, A; de Boer, Wim; De Brabandere, S; De Clercq, C; La Vaissière, C de; De Lotto, B; De Min, A; De Paula, L S; Dijkstra, H; Di Ciaccio, Lucia; Di Diodato, A; Djannati, A; Dolbeau, J; Doroba, K; Dracos, M; Drees, J; Drees, K A; Dris, M; Durand, J D; Edsall, D M; Ehret, R; Eigen, G; Ekelöf, T J C; Ekspong, Gösta; Elsing, M; Engel, J P; Erzen, B; Espirito-Santo, M C; Falk, E; Fanourakis, G K; Fassouliotis, D; Feindt, Michael; Fenyuk, A; Ferrari, P; Ferrer, A; Fichet, S; Filippas-Tassos, A; Firestone, A; Fischer, P A; Föth, H; Fokitis, E; Fontanelli, F; Formenti, F; Franek, B J; Frodesen, A G; Frühwirth, R; Fulda-Quenzer, F; Fuster, J A; Galloni, A; Gamba, D; Gandelman, M; García, C; García, J; Gaspar, C; Gasparini, U; Gavillet, P; Gazis, E N; Gelé, D; Gerber, J P; Gerdyukov, L N; Gokieli, R; Golob, B; Gonçalves, P; Gopal, Gian P; Gorn, L; Górski, M; Guz, Yu; Gracco, Valerio; Graziani, E; Green, C; Grefrath, A; Gris, P; Grosdidier, G; Grzelak, K; Günther, M; Guy, J; Hahn, F; Hahn, S; Hajduk, Z; Hallgren, A; Hamacher, K; Harris, F J; Hedberg, V; Henriques, R P; Hernández, J J; Herquet, P; Herr, H; Hessing, T L; Heuser, J M; Higón, E; Holmgren, S O; Holt, P J; Holthuizen, D J; Hoorelbeke, S; Houlden, M A; Hrubec, Josef; Huet, K; Hultqvist, K; Jackson, J N; Jacobsson, R; Jalocha, P; Janik, R; Jarlskog, C; Jarlskog, G; Jarry, P; Jean-Marie, B; Johansson, E K; Jönsson, L B; Jönsson, P E; Joram, Christian; Juillot, P; Kaiser, M; Kapusta, F; Karafasoulis, K; Katsanevas, S; Katsoufis, E C; Keränen, R; Khokhlov, Yu A; Khomenko, B A; Khovanskii, N N; King, B J; Kjaer, N J; Klapp, O; Klein, H; Kluit, P M; Knoblauch, D; Kokkinias, P; Koratzinos, M; Korcyl, K; Kostyukhin, V; Kourkoumelis, C; Kuznetsov, O; Krammer, Manfred; Kreuter, C; Kronkvist, I J; Krstic, J; Krumshtein, Z; Krupinski, W; Kubinec, P; Kucewicz, W; Kurvinen, K L; Lacasta, C; Laktineh, I; Lamsa, J; Lanceri, L; Lane, D W; Langefeld, P; Laugier, J P; Lauhakangas, R; Leder, Gerhard; Ledroit, F; Lefébure, V; Legan, C K; Leisos, A; Leitner, R; Lemonne, J; Lenzen, Georg; Lepeltier, V; Lesiak, T; Libby, J; Liko, D; Lipniacka, A; Lippi, I; Lörstad, B; Loken, J G; López, J M; Loukas, D; Lutz, P; Lyons, L; MacNaughton, J N; Maehlum, G; Mahon, J R; Maio, A; Malmgren, T G M; Malychev, V; Mandl, F; Marco, J; Marco, R P; Maréchal, B; Margoni, M; Marin, J C; Mariotti, C; Markou, A; Martínez-Rivero, C; Martínez-Vidal, F; Martí i García, S; Masik, J; Matorras, F; Matteuzzi, C; Matthiae, Giorgio; Mazzucato, M; McCubbin, M L; McKay, R; McNulty, R; McPherson, G; Medbo, J; Meroni, C; Meyer, S; Meyer, W T; Myagkov, A; Michelotto, M; Migliore, E; Mirabito, L; Mitaroff, Winfried A; Mjörnmark, U; Moa, T; Møller, R; Mönig, K; Monge, M R; Morettini, P; Müller, H; Münich, K; Mulders, M; Mundim, L M; Murray, W J; Muryn, B; Myatt, Gerald; Myklebust, T; Naraghi, F; Navarria, Francesco Luigi; Navas, S; Nawrocki, K; Negri, P; Némécek, S; Neumann, W; Neumeister, N; Nicolaidou, R; Nielsen, B S; Nieuwenhuizen, M; Nikolaenko, V; Nikolenko, M; Niss, P; Nomerotski, A; Normand, Ainsley; Nygren, A; Oberschulte-Beckmann, W; Obraztsov, V F; Olshevskii, A G; Onofre, A; Orava, Risto; Orazi, G; Österberg, K; Ouraou, A; Paganini, P; Paganoni, M; Pain, R; Palka, H; Papadopoulou, T D; Papageorgiou, K; Pape, L; Parkes, C; Parodi, F; Parzefall, U; Passeri, A; Pegoraro, M; Peralta, L; Pernegger, H; Pernicka, Manfred; Perrotta, A; Petridou, C; Petrolini, A; Phillips, H T; Piana, G; Pierre, F; Pimenta, M; Podobnik, T; Podobrin, O; Pol, M E; Polok, G; Poropat, P; Pozdnyakov, V; Privitera, P; Pukhaeva, N; Pullia, Antonio; Radojicic, D; Ragazzi, S; Rahmani, H; Ratoff, P N; Read, A L; Reale, M; Rebecchi, P; Redaelli, N G; Regler, Meinhard; Reid, D; Reinhardt, R; Renton, P B; Resvanis, L K; Richard, F; Rídky, J; Rinaudo, G; Røhne, O M; Romero, A; Ronchese, P; Roos, L; Rosenberg, E I; Rosinsky, P; Roudeau, Patrick; Rovelli, T; Ruhlmann-Kleider, V; Ruiz, A; Rybicki, K; Saarikko, H; Sacquin, Yu; Sadovskii, A; Sajot, G; Salt, J; Sannino, M; Schneider, H; Schwickerath, U; Schyns, M A E; Sciolla, G; Scuri, F; Seager, P; Sedykh, Yu; Segar, A M; Seitz, A; Sekulin, R L; Serbelloni, L; Shellard, R C; Sheridan, A; Siegrist, P; Silvestre, R; Simonetto, F; Sissakian, A N; Skaali, T B; Smadja, G; Smirnov, N; Smirnova, O G; Smith, G R; Sokolov, A; Solovyanov, O; Sosnowski, R; Souza-Santos, D; Spassoff, Tz; Spiriti, E; Sponholz, P; Squarcia, S; Stampfer, D; Stanescu, C; Stanic, S; Stapnes, Steinar; Stavitski, I; Stevenson, K; Stocchi, A; Strauss, J; Strub, R; Stugu, B; Szczekowski, M; Szeptycka, M; Tabarelli de Fatis, T; Tavernet, J P; Tegenfeldt, F; Terranova, F; Thomas, J; Tilquin, A; Timmermans, J; Tkatchev, L G; Todorov, T; Todorova, S; Toet, D Z; Tomaradze, A G; Tonazzo, A; Tortora, L; Tranströmer, G; Treille, D; Tristram, G; Trombini, A; Troncon, C; Tsirou, A L; Turluer, M L; Tyapkin, I A; Tyndel, M; Tzamarias, S; Überschär, B; Ullaland, O; Uvarov, V; Valenti, G; Vallazza, E; van Apeldoorn, G W; van Dam, P; Van Eldik, J; Van Lysebetten, A; Vassilopoulos, N; Vegni, G; Ventura, L; Venus, W A; Verbeure, F; Verlato, M; Vertogradov, L S; Vilanova, D; Vincent, P; Vitale, L; Vlasov, E; Vodopyanov, A S; Vrba, V; Wahlen, H; Walck, C; Weiser, C; Wetherell, Alan M; Wicke, D; Wickens, J H; Wielers, M; Wilkinson, G R; Williams, W S C; Winter, M; Witek, M; Wlodek, T; Yi, J; Yip, K; Yushchenko, O P; Zach, F; Zaitsev, A; Zalewska-Bak, A; Zalewski, Piotr; Zavrtanik, D; Zevgolatakos, E; Zimin, N I; Zucchelli, G C; Zumerle, G

    1997-01-01

    The spin density matrix elements for the $\\rho^0$, K$^{*0}(892)$ and $\\phi$ produced in hadronic Z$^0$ decays are measured in the DELPHI detector. There is no evidence for spin alignment of the K$^{*0}(892)$ and $\\phi$ in the region $x_p \\leq 0.3$ ($x_p = p/p_{beam}$), where $\\rho_{00} = 0.33 \\pm 0.05$ and $\\rho_{00} = 0.30 \\pm 0.04$, respectively. In the fragmentation region, $x_p \\geq 0.4$, there is some indication for spin alignment of the $\\rho^0$ and K$^{*0}(892)$, since $\\rho_{00} = 0.43 \\pm 0.05$ and $\\rho_{00} = 0.46 \\pm 0.08$, respectively. These values are compared with those found in meson-induced hadronic reactions. For the $\\phi$, $\\rho_{00} = 0.30 \\pm 0.04$ for $x_p \\geq 0.4$ and $0.55 \\pm 0.10$ for $x_p \\geq 0.7$. The off-diagonal spin density matrix element $\\rho_{1-1}$ is consistent with zero in all cases.

  12. Meniscal tear evaluation. Comparison of a conventional spin-echo proton density sequence with a fast spin-echo sequence utilizing a 512x358 matrix size

    International Nuclear Information System (INIS)

    Hopper, M.A.; Robinson, P.; Grainger, A.J.

    2011-01-01

    Aim: To determine the sensitivities, specificities, and receiver-operating characteristics (ROCs) for sagittal conventional spin-echo proton density (SE-PD) and fast spin-echo proton density (FSE-PD) sequences in the diagnosis of meniscal tears when compared to arthroscopic findings utilizing increased FSE matrix acquisition size. Method and materials: Magnetic resonance imaging (MRI) studies of 97 knees (194 menisci) were independently and prospectively interpreted by two experienced musculoskeletal radiologists over four separate readings at least 3 weeks apart. Readings 1 and 2 included images in all three planes in accordance with the standard protocol with either a SE or FSE sagittal PD, at readings 3 and 4 just the SE or FSE sagittal PD sequences were reported. The FSE sequence was acquired with an increased matrix size, compared to the SE sequence, to provide increased resolution. Menisci were graded for the presence of a tear and statistical analysis to calculate sensitivity and specificity was performed comparing to arthroscopy as the reference standard. ROC analysis for the diagnosis of meniscal tears on the SE and FSE sagittal sequences was also evaluated. Reader concordance for the SE and FSE sequences was calculated. Results: Sixty-seven tears were noted at arthroscopy; 60 were detected on SE and 56 on FSE. The sensitivity and specificity for SE was 90 and 90%, and for FSE was 84 and 94%, respectively, with no significant difference. ROC analysis showed no significant difference between the two sequences and kappa values demonstrated a higher level of reader agreement for the FSE than for the SE reading. Conclusion: Use of a FSE sagittal PD sequence with an increased matrix size provides comparable performance to conventional SE sagittal PD when evaluating meniscal disease with a modern system. The present study indicates an increased level of concordance between readers for the FSE sagittal sequence compared to the conventional SE.

  13. Meniscal tear evaluation. Comparison of a conventional spin-echo proton density sequence with a fast spin-echo sequence utilizing a 512x358 matrix size

    Energy Technology Data Exchange (ETDEWEB)

    Hopper, M.A.; Robinson, P. [Leeds Teaching Hospitals NHS Trust, Leeds (United Kingdom); Grainger, A.J., E-mail: andrew.grainger@leedsth.nhs.u [Leeds Teaching Hospitals NHS Trust, Leeds (United Kingdom)

    2011-04-15

    Aim: To determine the sensitivities, specificities, and receiver-operating characteristics (ROCs) for sagittal conventional spin-echo proton density (SE-PD) and fast spin-echo proton density (FSE-PD) sequences in the diagnosis of meniscal tears when compared to arthroscopic findings utilizing increased FSE matrix acquisition size. Method and materials: Magnetic resonance imaging (MRI) studies of 97 knees (194 menisci) were independently and prospectively interpreted by two experienced musculoskeletal radiologists over four separate readings at least 3 weeks apart. Readings 1 and 2 included images in all three planes in accordance with the standard protocol with either a SE or FSE sagittal PD, at readings 3 and 4 just the SE or FSE sagittal PD sequences were reported. The FSE sequence was acquired with an increased matrix size, compared to the SE sequence, to provide increased resolution. Menisci were graded for the presence of a tear and statistical analysis to calculate sensitivity and specificity was performed comparing to arthroscopy as the reference standard. ROC analysis for the diagnosis of meniscal tears on the SE and FSE sagittal sequences was also evaluated. Reader concordance for the SE and FSE sequences was calculated. Results: Sixty-seven tears were noted at arthroscopy; 60 were detected on SE and 56 on FSE. The sensitivity and specificity for SE was 90 and 90%, and for FSE was 84 and 94%, respectively, with no significant difference. ROC analysis showed no significant difference between the two sequences and kappa values demonstrated a higher level of reader agreement for the FSE than for the SE reading. Conclusion: Use of a FSE sagittal PD sequence with an increased matrix size provides comparable performance to conventional SE sagittal PD when evaluating meniscal disease with a modern system. The present study indicates an increased level of concordance between readers for the FSE sagittal sequence compared to the conventional SE.

  14. Cortical Matrix Mineral Density Measured Non-invasively in Pre- and Postmenopausal Women and a Woman with Vitamin D Dependent Rickets.

    Science.gov (United States)

    Chiang, Cherie Y; Zebaze, Roger; Wang, Xiao-Fang; Ghasem-Zadeh, Ali; Zajac, Jeffrey D; Seeman, Ego

    2018-02-28

    Reduced bone mineral density (BMD) may be due to reduced mineralized bone matrix volume, incomplete secondary mineralization or reduced primary mineralization. As bone biopsy is invasive, we hypothesized that non-invasive image acquisition at high resolution can accurately quantify matrix mineral density (MMD). Quantification of MMD was confined to voxels attenuation photons above 80% of that produced by fully mineralized bone matrix because attenuation at this level is due to variation in mineralization not porosity. To assess accuracy, 9 cadaveric distal radii were imaged at a voxel size of 82 microns using high resolution peripheral quantitative computed tomography (HR-pQCT, XtremeCT, Scanco Medical AG, Switzerland) and compared with VivaCT 40 (µCT) at 19 microns voxel size. Associations between MMD and porosity were studied in 94 heathy vitamin D replete pre-menopausal, 77 post-menopausal women, and in a 27 year-old woman with vitamin-D Dependent Rickets (VDDR). Microstructure and MMD were quantified using StrAx (StraxCorp, Melbourne, Australia). MMD measured by HR-pQCT and µCT correlated (R = 0.87; p woman with VDDR, MMD was 5.6 SD lower, and porosity was 5.6 SD higher, than the respective trait means in premenopausal women. BMD was reduced (Z scores femoral neck - 4.3 SD, lumbar spine - 3.8 SD). Low radiation HR-pQCT may facilitate non-invasive quantification of bone's MMD and microstructure in health, disease and during treatment. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  15. Density functional theory-based prediction of the formation constants of complexes of ammonia in aqueous solution: indications of the role of relativistic effects in the solution chemistry of gold(I).

    Science.gov (United States)

    Hancock, Robert D; Bartolotti, Libero J

    2005-10-03

    A prediction of the formation constants (log K1) for complexes of metal ions with a single NH3 ligand in aqueous solution, using quantum mechanical calculations, is reported. DeltaG values at 298 K in the gas phase for eq 1 (DeltaG(DFT)) were calculated for 34 metal ions using density functional theory (DFT), with the expectation that these would correlate with the free energy of complex formation in aqueous solution (DeltaG(aq)). [M(H2O)6]n+(g) + NH(3)(g) = [M(H2O)5NH3]n+(g) + H2O(g) (eq 1). The DeltaG(aq) values include the effects of complex changes in solvation on complex formation, which are not included in eq 1. It was anticipated that such changes in solvation would be constant or vary systematically with changes in the log K(1) value for different metal ions; therefore, simple correlations between DeltaG(DFT) and DeltaG(aq) were sought. The bulk of the log K1(NH3) values used to calculate DeltaG(aq) were not experimental, but estimated previously (Hancock 1978, 1980) from a variety of empirical correlations. Separate linear correlations between DeltaG(DFT) and DeltaG(aq) for metal ions of different charges (M2+, M3+, and M4+) were found. In plots of DeltaG(DFT) versus DeltaG(aq), the slopes ranged from 2.201 for M2+ ions down to 1.076 for M4+ ions, with intercepts increasing from M2+ to M4+ ions. Two separate correlations occurred for the M3+ ions, which appeared to correspond to small metal ions with a coordination number (CN) of 6 and to large metal ions with a higher CN in the vicinity of 7-9. The good correlation coefficients (R) in the range of 0.97-0.99 for all these separate correlations suggest that the approach used here may be the basis for future predictions of aqueous phase chemistry that would otherwise be experimentally inaccessible. Thus, the log K1(NH3) value for the transuranic Lr3+, which has a half-life of 3.6 h in its most stable isotope, is predicted to be 1.46. These calculations should also lead to a greater insight into the factors

  16. Relativistic finite-temperature Thomas-Fermi model

    Science.gov (United States)

    Faussurier, Gérald

    2017-11-01

    We investigate the relativistic finite-temperature Thomas-Fermi model, which has been proposed recently in an astrophysical context. Assuming a constant distribution of protons inside the nucleus of finite size avoids severe divergence of the electron density with respect to a point-like nucleus. A formula for the nuclear radius is chosen to treat any element. The relativistic finite-temperature Thomas-Fermi model matches the two asymptotic regimes, i.e., the non-relativistic and the ultra-relativistic finite-temperature Thomas-Fermi models. The equation of state is considered in detail. For each version of the finite-temperature Thomas-Fermi model, the pressure, the kinetic energy, and the entropy are calculated. The internal energy and free energy are also considered. The thermodynamic consistency of the three models is considered by working from the free energy. The virial question is also studied in the three cases as well as the relationship with the density functional theory. The relativistic finite-temperature Thomas-Fermi model is far more involved than the non-relativistic and ultra-relativistic finite-temperature Thomas-Fermi models that are very close to each other from a mathematical point of view.

  17. Relativistic and non-relativistic studies of nuclear matter

    NARCIS (Netherlands)

    Banerjee, MK; Tjon, JA

    2002-01-01

    We point out that the differences between the results of the non-relativistic lowest order Brueckner theory (LOBT) and the relativistic Dirac-Brueckner analysis predominantly arise from two sources. Besides effects from a nucleon mass modification M* in nuclear medium we have in a relativistic

  18. Relativistic Tsiolkovsky equation -- a case study in special relativity

    Science.gov (United States)

    Redd, Jeremy; Panin, Alexander

    2011-10-01

    A possibility of using antimatter in future space propulsion systems is seriously discussed in scientific literature. Annihilation of matter and antimatter is not only the energy source of ultimate density 9x10^16 J/kg (provided that antimatter fuel is available on board or can be collected along the journey) but also potentially allows to reach ultimate exhaust speed -- speed of light c. Using relativistic rocket equation we discuss the feasibility of achieving relativistic velocities with annihilation powered photon engine, as well as the advantages and disadvantages of interstellar travel with relativistic and ultrarelativistic velocities.

  19. Relativistic laser channeling in plasmas for fast ignition

    Science.gov (United States)

    Lei, A. L.; Pukhov, A.; Kodama, R.; Yabuuchi, T.; Adumi, K.; Endo, K.; Freeman, R. R.; Habara, H.; Kitagawa, Y.; Kondo, K.; Kumar, G. R.; Matsuoka, T.; Mima, K.; Nagatomo, H.; Norimatsu, T.; Shorokhov, O.; Snavely, R.; Yang, X. Q.; Zheng, J.; Tanaka, K. A.

    2007-12-01

    We report an experimental observation suggesting plasma channel formation by focusing a relativistic laser pulse into a long-scale-length preformed plasma. The channel direction coincides with the laser axis. Laser light transmittance measurement indicates laser channeling into the high-density plasma with relativistic self-focusing. A three-dimensional particle-in-cell simulation reproduces the plasma channel and reveals that the collimated hot-electron beam is generated along the laser axis in the laser channeling. These findings hold the promising possibility of fast heating a dense fuel plasma with a relativistic laser pulse.

  20. Relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Ollitrault, J.Y.

    1998-12-01

    These notes form an introduction to relativistic quantum mechanics. The mathematical formalism has been reduced to the minimum in order to enable the reader to calculate elementary physical processes. The second quantification and the field theory are the logical followings of this course. The reader is expected to know analytical mechanics (Lagrangian and Hamiltonian), non-relativistic quantum mechanics and some basis of restricted relativity. The purpose of the first 3 chapters is to define the quantum mechanics framework for already known notions about rotation transformations, wave propagation and restricted theory of relativity. The next 3 chapters are devoted to the application of relativistic quantum mechanics to a particle with 0,1/5 and 1 spin value. The last chapter deals with the processes involving several particles, these processes require field theory framework to be thoroughly described. (A.C.)

  1. Relativistic solitons and pulsars

    Energy Technology Data Exchange (ETDEWEB)

    Karpman, V I [Inst. of Terrestrial Magnetism, Ionosphere, and Radio-Wave Propagation, Moscow; Norman, C A; ter Haar, D; Tsytovich, V N

    1975-05-01

    A production mechanism for stable electron bunches or sheets of localized electric fields is investigated which may account for pulsar radio emission. Possible soliton phenomena in a one-dimensional relativistic plasma are analyzed, and it is suggested that the motion of a relativistic soliton, or ''relaton'', along a curved magnetic-field line may produce radio emission with the correct polarization properties. A general MHD solution is obtained for relatons, the radiation produced by a relativistic particle colliding with a soliton is evaluated, and the emission by a soliton moving along a curved field line is estimated. It is noted that due to a number of severe physical restrictions, curvature radiation is not a very likely solution to the problem of pulsar radio emission. (IAA)

  2. Relativistic quantum mechanics

    CERN Document Server

    Horwitz, Lawrence P

    2015-01-01

    This book describes a relativistic quantum theory developed by the author starting from the E.C.G. Stueckelberg approach proposed in the early 40s. In this framework a universal invariant evolution parameter (corresponding to the time originally postulated by Newton) is introduced to describe dynamical evolution. This theory is able to provide solutions for some of the fundamental problems encountered in early attempts to construct a relativistic quantum theory. A relativistically covariant construction is given for which particle spins and angular momenta can be combined through the usual rotation group Clebsch-Gordan coefficients. Solutions are defined for both the classical and quantum two body bound state and scattering problems. The recently developed quantum Lax-Phillips theory of semigroup evolution of resonant states is described. The experiment of Lindner and coworkers on interference in time is discussed showing how the property of coherence in time provides a simple understanding of the results. Th...

  3. Relativistic theories of materials

    CERN Document Server

    Bressan, Aldo

    1978-01-01

    The theory of relativity was created in 1905 to solve a problem concerning electromagnetic fields. That solution was reached by means of profound changes in fundamental concepts and ideas that considerably affected the whole of physics. Moreover, when Einstein took gravitation into account, he was forced to develop radical changes also in our space-time concepts (1916). Relativistic works on heat, thermodynamics, and elasticity appeared as early as 1911. However, general theories having a thermodynamic basis, including heat conduction and constitutive equations, did not appear in general relativity until about 1955 for fluids and appeared only after 1960 for elastic or more general finitely deformed materials. These theories dealt with materials with memory, and in this connection some relativistic versions of the principle of material indifference were considered. Even more recently, relativistic theories incorporating finite deformations for polarizable and magnetizable materials and those in which couple s...

  4. Handbook of relativistic quantum chemistry

    International Nuclear Information System (INIS)

    Liu, Wenjian

    2017-01-01

    This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

  5. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering

    2017-03-01

    This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.

  6. Structure and representation of correlation functions and the density matrix for a statistical wave field in optics

    International Nuclear Information System (INIS)

    Sudarshan, E.C.G.; Mukunda, N.

    1978-03-01

    A systematic structure analysis of the correlation functions of statistical quantum optics is carried out. From a suitably defined auxiliary two-point function identification of the excited modes in the wave field is found. The relative simplicity of the higher order correlation functions emerges as a by-product and the conditions under which these are made pure are derived. These results depend in a crucial manner on the notion of coherence indices aand of unimodular coherence indices. A new class of approximate expressions for the density operator of a statistical wave field is worked out based on discrete characteristic sets. These are even more economical than the diagonal coherent state representations. An appreciation of the subtleties of quantum theory obtains. Certain implications for the physics of light beams are cited. 28 references

  7. Biquaternions and relativistic kinematics

    International Nuclear Information System (INIS)

    Bogush, A.A.; Kurochkin, Yu.A.; Fedorov, F.I.

    1979-01-01

    The problems concerning the use of quaternion interpretation of the Lorentz group vector parametrization are considered for solving relativistic kinematics problems. A vector theory convenient for describing the characteristic features of the Lobachevsky space is suggested. The kinematics of elementary particle scattering is investigated on the basis of this theory. A synthesis of vector parametrization and of quaternion calculation has been shown to lead to natural formulation of the theory of vectors in the three-dimensional Lobachevsky space, realized on mass hyperboloids of relativistic particles

  8. Electromagnetic solitons in degenerate relativistic electron–positron plasma

    International Nuclear Information System (INIS)

    Berezhiani, V I; Shatashvili, N L; Tsintsadze, N L

    2015-01-01

    The existence of soliton-like electromagnetic (EM) distributions in a fully degenerate electron–positron plasma is studied applying relativistic hydrodynamic and Maxwell equations. For a circularly polarized wave it is found that the soliton solutions exist both in relativistic as well as nonrelativistic degenerate plasmas. Plasma density in the region of soliton pulse localization is reduced considerably. The possibility of plasma cavitation is also shown. (invited comment)

  9. Instability in relativistic mean-field theories of nuclear matter

    International Nuclear Information System (INIS)

    Friman, B.L.; Henning, P.A.

    1988-01-01

    We investigate the stability of the nuclear matter ground state with respect to small-perturbations of the meson fields in relativistic mean-field theories. The popular σ-ω model is shown to have an instability at about twice the nuclear density, which gives rise to a new ground state with periodic spin alignment. Taking into account the contributions of the Dirac sea properly, this instability vanishes. Consequences for relativistic heavy-ion-collisions are discussed briefly. (orig.)

  10. Relativistic quantum thermodynamics of ideal gases in two dimensions.

    Science.gov (United States)

    Blas, H; Pimentel, B M; Tomazelli, J L

    1999-11-01

    In this work we study the behavior of relativistic ideal Bose and Fermi gases in two space dimensions. Making use of polylogarithm functions we derive a closed and unified expression for their densities. It is shown that both type of gases are essentially inequivalent, and only in the non-relativistic limit the spinless and equal mass Bose and Fermi gases are equivalent as known in the literature.

  11. Relativistic Quantum Thermodynamics of Ideal Gases in 2 Dimensions

    OpenAIRE

    Blas, H.; Pimentel, B. M.; Tomazelli, J. L.

    1999-01-01

    In this work we study the behavior of relativistic ideal Bose and Fermi gases in two space dimensions. Making use of polylogarithm functions we derive a closed and unified expression for their densities. It is shown that both type of gases are essentially inequivalent, and only in the non-relativistic limit the spinless and equal mass Bose and Fermi gases are equivalent as known in the literature.

  12. Instability in relativistic mean-field theories of nuclear matter

    International Nuclear Information System (INIS)

    Friman, B.L.; Henning, P.A.

    1988-01-01

    We investigate the stability of the nuclear matter ground state with respect to small perturbations of the meson fields in relativistic mean-field theories. The popular σ-ω model is shown to have an instability at about twice the nuclear density, which gives rise to a new ground state with periodic spin alignment. Taking into account the contributions of the Dirac sea properly, this instability vanishes. Consequences for relativistic heavy-ion collisions are discussed briefly. (orig.)

  13. Study of K/sup -/p. -->. anti K*(890)n at 13GeV. [Differential cross sections, density matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Brandenburg, G W; Dunwoodie, W M; Lasinski, T A; Leith, D W.G.S.; Williams, S H [Stanford Linear Accelerator Center, Calif. (USA); Carnegie, R K [Carleton Univ., Ottawa, Ontario (Canada). Dept. of Physics; Cashmore, R J [Oxford Univ. (UK). Dept. of Physics; Davier, M [Lab. de l' Accelerateur Lineaire, Orsay, France; Matthews, J A.J. [Michigan State Univ., East Lansing (USA). Dept. of Physics; Walden, P [British Columbia Univ., Vancouver (Canada). TRIUMF Facility

    1975-11-24

    The results of a wire chamber spectrometer experiment studying anti K*(890) production in the reaction K/sup -/p..-->..K/sup -/..pi../sup +/n at 13 GeV are presented. Strong forward structure is observed for mod(t)density matrix elements and differential cross section. These features are similar to those observed in ..pi../sup -/p..-->..rho/sup 0/n data and are characteristic of ..pi.. exchange. In contrast in the intermediate, mod(t)approximately 0.2 GeV/sup 2/, and large momentum transfer regions anti K*(890) production is dominated by the natural parity rho-A/sub 2/ exchange contribution.

  14. Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra.

    Science.gov (United States)

    Hine, N D M; Haynes, P D; Mostofi, A A; Payne, M C

    2010-09-21

    We present calculations of formation energies of defects in an ionic solid (Al(2)O(3)) extrapolated to the dilute limit, corresponding to a simulation cell of infinite size. The large-scale calculations required for this extrapolation are enabled by developments in the approach to parallel sparse matrix algebra operations, which are central to linear-scaling density-functional theory calculations. The computational cost of manipulating sparse matrices, whose sizes are determined by the large number of basis functions present, is greatly improved with this new approach. We present details of the sparse algebra scheme implemented in the ONETEP code using hierarchical sparsity patterns, and demonstrate its use in calculations on a wide range of systems, involving thousands of atoms on hundreds to thousands of parallel processes.

  15. Large-distance and long-time asymptotic behavior of the reduced density matrix in the non-linear Schroedinger model

    Energy Technology Data Exchange (ETDEWEB)

    Kozlowski, K.K.

    2010-12-15

    Starting from the form factor expansion in finite volume, we derive the multidimensional generalization of the so-called Natte series for the zero-temperature, time and distance dependent reduced density matrix in the non-linear Schroedinger model. This representation allows one to read-off straightforwardly the long-time/large-distance asymptotic behavior of this correlator. Our method of analysis reduces the complexity of the computation of the asymptotic behavior of correlation functions in the so-called interacting integrable models, to the one appearing in free fermion equivalent models. We compute explicitly the first few terms appearing in the asymptotic expansion. Part of these terms stems from excitations lying away from the Fermi boundary, and hence go beyond what can be obtained by using the CFT/Luttinger liquid based predictions. (orig.)

  16. Symmetrized density matrix renormalization group algorithm for low-lying excited states of conjugated carbon systems: Application to 1,12-benzoperylene and polychrysene

    Science.gov (United States)

    Prodhan, Suryoday; Ramasesha, S.

    2018-05-01

    The symmetry adapted density matrix renormalization group (SDMRG) technique has been an efficient method for studying low-lying eigenstates in one- and quasi-one-dimensional electronic systems. However, the SDMRG method had bottlenecks involving the construction of linearly independent symmetry adapted basis states as the symmetry matrices in the DMRG basis were not sparse. We have developed a modified algorithm to overcome this bottleneck. The new method incorporates end-to-end interchange symmetry (C2) , electron-hole symmetry (J ) , and parity or spin-flip symmetry (P ) in these calculations. The one-to-one correspondence between direct-product basis states in the DMRG Hilbert space for these symmetry operations renders the symmetry matrices in the new basis with maximum sparseness, just one nonzero matrix element per row. Using methods similar to those employed in the exact diagonalization technique for Pariser-Parr-Pople (PPP) models, developed in the 1980s, it is possible to construct orthogonal SDMRG basis states while bypassing the slow step of the Gram-Schmidt orthonormalization procedure. The method together with the PPP model which incorporates long-range electronic correlations is employed to study the correlated excited-state spectra of 1,12-benzoperylene and a narrow mixed graphene nanoribbon with a chrysene molecule as the building unit, comprising both zigzag and cove-edge structures.

  17. Scale-relativistic cosmology

    International Nuclear Information System (INIS)

    Nottale, Laurent

    2003-01-01

    The principle of relativity, when it is applied to scale transformations, leads to the suggestion of a generalization of fundamental dilations laws. These new special scale-relativistic resolution transformations involve log-Lorentz factors and lead to the occurrence of a minimal and of a maximal length-scale in nature, which are invariant under dilations. The minimal length-scale, that replaces the zero from the viewpoint of its physical properties, is identified with the Planck length l P , and the maximal scale, that replaces infinity, is identified with the cosmic scale L=Λ -1/2 , where Λ is the cosmological constant.The new interpretation of the Planck scale has several implications for the structure and history of the early Universe: we consider the questions of the origin, of the status of physical laws at very early times, of the horizon/causality problem and of fluctuations at recombination epoch.The new interpretation of the cosmic scale has consequences for our knowledge of the present universe, concerning in particular Mach's principle, the large number coincidence, the problem of the vacuum energy density, the nature and the value of the cosmological constant. The value (theoretically predicted ten years ago) of the scaled cosmological constant Ω Λ =0.75+/-0.15 is now supported by several different experiments (Hubble diagram of Supernovae, Boomerang measurements, gravitational lensing by clusters of galaxies).The scale-relativity framework also allows one to suggest a solution to the missing mass problem, and to make theoretical predictions of fundamental energy scales, thanks to the interpretation of new structures in scale space: fractal/classical transitions as Compton lengths, mass-coupling relations and critical value 4π 2 of inverse couplings. Among them, we find a structure at 3.27+/-0.26x10 20 eV, which agrees closely with the observed highest energy cosmic rays at 3.2+/-0.9x10 20 eV, and another at 5.3x10 -3 eV, which corresponds to the

  18. Strong correlation in acene sheets from the active-space variational two-electron reduced density matrix method: effects of symmetry and size.

    Science.gov (United States)

    Pelzer, Kenley; Greenman, Loren; Gidofalvi, Gergely; Mazziotti, David A

    2011-06-09

    Polyaromatic hydrocarbons (PAHs) are a class of organic molecules with importance in several branches of science, including medicine, combustion chemistry, and materials science. The delocalized π-orbital systems in PAHs require highly accurate electronic structure methods to capture strong electron correlation. Treating correlation in PAHs has been challenging because (i) traditional wave function methods for strong correlation have not been applicable since they scale exponentially in the number of strongly correlated orbitals, and (ii) alternative methods such as the density-matrix renormalization group and variational two-electron reduced density matrix (2-RDM) methods have not been applied beyond linear acene chains. In this paper we extend the earlier results from active-space variational 2-RDM theory [Gidofalvi, G.; Mazziotti, D. A. J. Chem. Phys. 2008, 129, 134108] to the more general two-dimensional arrangement of rings--acene sheets--to study the relationship between geometry and electron correlation in PAHs. The acene-sheet calculations, if performed with conventional wave function methods, would require wave function expansions with as many as 1.5 × 10(17) configuration state functions. To measure electron correlation, we employ several RDM-based metrics: (i) natural-orbital occupation numbers, (ii) the 1-RDM von Neumann entropy, (iii) the correlation energy per carbon atom, and (iv) the squared Frobenius norm of the cumulant 2-RDM. The results confirm a trend of increasing polyradical character with increasing molecular size previously observed in linear PAHs and reveal a corresponding trend in two-dimensional (arch-shaped) PAHs. Furthermore, in PAHs of similar size they show significant variations in correlation with geometry. PAHs with the strictly linear geometry (chains) exhibit more electron correlation than PAHs with nonlinear geometries (sheets).

  19. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.

    Science.gov (United States)

    van Meer, R; Gritsenko, O V; Baerends, E J

    2018-03-14

    Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH 4 , NH 3 , H 2 O, FH, and N 2 ) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

  20. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

    Science.gov (United States)

    van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2018-03-01

    Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH4, NH3, H2O, FH, and N2) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

  1. Relativistic calculations of one-photon bound-free transition amplitudes in hydrogenic atoms

    International Nuclear Information System (INIS)

    Simo, E.; Kwato Njock, M.G.

    2005-04-01

    Photoionization transition matrix of hydrogenic systems are investigated theoretically within the framework of the tensorial formalism with relativistic arguments. Calculations are carried out exactly, without approximation. We derive continuum second-order Dirac-Coulomb Sturmian functions. The numerical simulation of our results is performed in the dipole approximation. We test our theory on selected nucleus from the Periodic Table. The results of the fully relativistic calculations are compared with those of the quasi-relativistic calculations. A conclusion is drawn about the level of reliability of the quite simplified quasi-relativistic approach. (author)

  2. The Poisson equation at second order in relativistic cosmology

    International Nuclear Information System (INIS)

    Hidalgo, J.C.; Christopherson, Adam J.; Malik, Karim A.

    2013-01-01

    We calculate the relativistic constraint equation which relates the curvature perturbation to the matter density contrast at second order in cosmological perturbation theory. This relativistic ''second order Poisson equation'' is presented in a gauge where the hydrodynamical inhomogeneities coincide with their Newtonian counterparts exactly for a perfect fluid with constant equation of state. We use this constraint to introduce primordial non-Gaussianity in the density contrast in the framework of General Relativity. We then derive expressions that can be used as the initial conditions of N-body codes for structure formation which probe the observable signature of primordial non-Gaussianity in the statistics of the evolved matter density field

  3. Relativistic impulse dynamics.

    Science.gov (United States)

    Swanson, Stanley M

    2011-08-01

    Classical electrodynamics has some annoying rough edges. The self-energy of charges is infinite without a cutoff. The calculation of relativistic trajectories is difficult because of retardation and an average radiation reaction term. By reconceptuallizing electrodynamics in terms of exchanges of impulses rather than describing it by forces and potentials, we eliminate these problems. A fully relativistic theory using photonlike null impulses is developed. Numerical calculations for a two-body, one-impulse-in-transit model are discussed. A simple relationship between center-of-mass scattering angle and angular momentum was found. It reproduces the Rutherford cross section at low velocities and agrees with the leading term of relativistic distinguishable-particle quantum cross sections (Møller, Mott) when the distance of closest approach is larger than the Compton wavelength of the particle. Magnetism emerges as a consequence of viewing retarded and advanced interactions from the vantage point of an instantaneous radius vector. Radiation reaction becomes the local conservation of energy-momentum between the radiating particle and the emitted impulse. A net action is defined that could be used in developing quantum dynamics without potentials. A reinterpretation of Newton's laws extends them to relativistic motion.

  4. Non-relativistic supersymmetry

    International Nuclear Information System (INIS)

    Clark, T.E.; Love, S.T.

    1984-01-01

    The most general one- and two-body hamiltonian invariant under galilean supersymmetry is constructed in superspace. The corresponding Feynman rules are given for the superfield Green functions. As demonstrated by a simple example, it is straightforward to construct models in which the supersymmetry is spontaneously broken by the non-relativistic vacuum. (orig.)

  5. Relativistic Wigner functions

    Directory of Open Access Journals (Sweden)

    Bialynicki-Birula Iwo

    2014-01-01

    Full Text Available Original definition of the Wigner function can be extended in a natural manner to relativistic domain in the framework of quantum field theory. Three such generalizations are described. They cover the cases of the Dirac particles, the photon, and the full electromagnetic field.

  6. The Relativistic Rocket

    Science.gov (United States)

    Antippa, Adel F.

    2009-01-01

    We solve the problem of the relativistic rocket by making use of the relation between Lorentzian and Galilean velocities, as well as the laws of superposition of successive collinear Lorentz boosts in the limit of infinitesimal boosts. The solution is conceptually simple, and technically straightforward, and provides an example of a powerful…

  7. Relativistic few body calculations

    International Nuclear Information System (INIS)

    Gross, F.

    1988-01-01

    A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

  8. Relativistic Polarizable Embedding

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan; Bast, Radovan; Kongsted, Jacob

    2017-01-01

    Most chemistry, including chemistry where relativistic effects are important, occurs in an environment, and in many cases, this environment has a significant effect on the chemistry. In nonrelativistic quantum chemistry, a lot of progress has been achieved with respect to including environments s...

  9. Relativistic length agony continued

    Directory of Open Access Journals (Sweden)

    Redžić D.V.

    2014-01-01

    Full Text Available We made an attempt to remedy recent confusing treatments of some basic relativistic concepts and results. Following the argument presented in an earlier paper (Redžić 2008b, we discussed the misconceptions that are recurrent points in the literature devoted to teaching relativity such as: there is no change in the object in Special Relativity, illusory character of relativistic length contraction, stresses and strains induced by Lorentz contraction, and related issues. We gave several examples of the traps of everyday language that lurk in Special Relativity. To remove a possible conceptual and terminological muddle, we made a distinction between the relativistic length reduction and relativistic FitzGerald-Lorentz contraction, corresponding to a passive and an active aspect of length contraction, respectively; we pointed out that both aspects have fundamental dynamical contents. As an illustration of our considerations, we discussed briefly the Dewan-Beran-Bell spaceship paradox and the ‘pole in a barn’ paradox. [Projekat Ministarstva nauke Republike Srbije, br. 171028

  10. Relativistic Coulomb excitation

    International Nuclear Information System (INIS)

    Winther, A.; Alder, K.

    1979-01-01

    Coulomb excitation of both target and projectile in relativistic heavy ion collisions is evaluated including the lowest order correction for the deviation from a straight line trajectory. Explicit results for differential and total cross sections are given in the form of tables and figures. (Auth.)

  11. Fundamental Relativistic Rotator

    International Nuclear Information System (INIS)

    Staruszkiewicz, A.

    2008-01-01

    Professor Jan Weyssenhoff was Myron Mathisson's sponsor and collaborator. He introduced a class of objects known in Cracow as '' kreciolki Weyssenhoffa '', '' Weyssenhoff's rotating little beasts ''. The Author describes a particularly simple object from this class. The relativistic rotator described in the paper is such that its both Casimir invariants are parameters rather than constants of motion. (author)

  12. Relativistic Quantum Mechanics

    International Nuclear Information System (INIS)

    Antoine, J-P

    2004-01-01

    The aim of relativistic quantum mechanics is to describe the finer details of the structure of atoms and molecules, where relativistic effects become nonnegligible. It is a sort of intermediate realm, between the familiar nonrelativistic quantum mechanics and fully relativistic quantum field theory, and thus it lacks the simplicity and elegance of both. Yet it is a necessary tool, mostly for quantum chemists. Pilkuhn's book offers to this audience an up-to-date survey of these methods, which is quite welcome since most previous textbooks are at least ten years old. The point of view of the author is to start immediately in the relativistic domain, following the lead of Maxwell's equations rather than classical mechanics, and thus to treat the nonrelativistic version as an approximation. Thus Chapter 1 takes off from Maxwell's equations (in the noncovariant Coulomb gauge) and gradually derives the basic aspects of Quantum Mechanics in a rather pedestrian way (states and observables, Hilbert space, operators, quantum measurement, scattering,. Chapter 2 starts with the Lorentz transformations, then continues with the Pauli spin equation and the Dirac equation and some of their applications (notably the hydrogen atom). Chapter 3 is entitled 'Quantum fields and particles', but falls short of treating quantum field theory properly: only creation/annihilation operators are considered, for a particle in a box. The emphasis is on two-electron states (the Pauli principle, the Foldy--Wouthuysen elimination of small components of Dirac spinors, Breit projection operators. Chapter 4 is devoted to scattering theory and the description of relativistic bound states. Chapter 5, finally, covers hyperfine interactions and radiative corrections. As we said above, relativistic quantum mechanics is by nature limited in scope and rather inelegant and Pilkuhn's book is no exception. The notation is often heavy (mostly noncovariant) and the mathematical level rather low. The central topic

  13. Relativistic mean field model for entrainment in general relativistic superfluid neutron stars

    International Nuclear Information System (INIS)

    Comer, G.L.; Joynt, R.

    2003-01-01

    General relativistic superfluid neutron stars have a significantly more intricate dynamics than their ordinary fluid counterparts. Superfluidity allows different superfluid (and superconducting) species of particles to have independent fluid flows, a consequence of which is that the fluid equations of motion contain as many fluid element velocities as superfluid species. Whenever the particles of one superfluid interact with those of another, the momentum of each superfluid will be a linear combination of both superfluid velocities. This leads to the so-called entrainment effect whereby the motion of one superfluid will induce a momentum in the other superfluid. We have constructed a fully relativistic model for entrainment between superfluid neutrons and superconducting protons using a relativistic σ-ω mean field model for the nucleons and their interactions. In this context there are two notions of 'relativistic': relativistic motion of the individual nucleons with respect to a local region of the star (i.e. a fluid element containing, say, an Avogadro's number of particles), and the motion of fluid elements with respect to the rest of the star. While it is the case that the fluid elements will typically maintain average speeds at a fraction of that of light, the supranuclear densities in the core of a neutron star can make the nucleons themselves have quite high average speeds within each fluid element. The formalism is applied to the problem of slowly rotating superfluid neutron star configurations, a distinguishing characteristic being that the neutrons can rotate at a rate different from that of the protons

  14. Gauge cooling for the singular-drift problem in the complex Langevin method — a test in Random Matrix Theory for finite density QCD

    Energy Technology Data Exchange (ETDEWEB)

    Nagata, Keitaro [KEK Theory Center, High Energy Accelerator Research Organization,1-1 Oho, Tsukuba 305-0801 (Japan); Nishimura, Jun [KEK Theory Center, High Energy Accelerator Research Organization,1-1 Oho, Tsukuba 305-0801 (Japan); Department of Particle and Nuclear Physics, School of High Energy Accelerator Science,Graduate University for Advanced Studies (SOKENDAI), 1-1 Oho, Tsukuba 305-0801 (Japan); Shimasaki, Shinji [KEK Theory Center, High Energy Accelerator Research Organization,1-1 Oho, Tsukuba 305-0801 (Japan); Research and Education Center for Natural Sciences, Keio University,Hiyoshi 4-1-1, Yokohama, Kanagawa 223-8521 (Japan)

    2016-07-14

    Recently, the complex Langevin method has been applied successfully to finite density QCD either in the deconfinement phase or in the heavy dense limit with the aid of a new technique called the gauge cooling. In the confinement phase with light quarks, however, convergence to wrong limits occurs due to the singularity in the drift term caused by small eigenvalues of the Dirac operator including the mass term. We propose that this singular-drift problem should also be overcome by the gauge cooling with different criteria for choosing the complexified gauge transformation. The idea is tested in chiral Random Matrix Theory for finite density QCD, where exact results are reproduced at zero temperature with light quarks. It is shown that the gauge cooling indeed changes drastically the eigenvalue distribution of the Dirac operator measured during the Langevin process. Despite its non-holomorphic nature, this eigenvalue distribution has a universal diverging behavior at the origin in the chiral limit due to a generalized Banks-Casher relation as we confirm explicitly.

  15. Relativistic approach to superfluidity in nuclear matter. Constructing effective pair wave function from relativistic mean field theory with a cutoff

    Energy Technology Data Exchange (ETDEWEB)

    Matsuzaki, M. [Fukuoka Univ. of Education, Dept. of Physics, Munakata, Fukuoka (Japan); Tanigawa, T.

    1999-08-01

    We propose a simple method to reproduce the {sup 1}S{sub 0} pairing properties of nuclear matter, which are obtained by a sophisticated model, by introducing a density-independent cutoff into the relativistic mean field model. This applies well to the physically relevant density range. (author)

  16. Relativistic effects on complexity indexes in atoms in position and momentum spaces

    International Nuclear Information System (INIS)

    Maldonado, P.; Sarsa, A.; Buendia, E.; Galvez, F.J.

    2010-01-01

    Three different statistical measures of complexity are explored for the atoms He to Ra. The measures are analysed in both position and momentum spaces. Relativistic effects on the complexity indexes are systematically studied. These effects are discussed in terms of the information content factor and the disorder terms of the complexity indexes. Relativistic and non-relativistic complexity indexes are calculated from Optimized Effective Potential densities.

  17. Relativistic scattering theory of charged spinless particles

    International Nuclear Information System (INIS)

    Alt, E.O.; Hannemann, M.

    1986-01-01

    In the context of relativistic quantum mechanics the scattering is discussed of two and three charged spinless particles. The corresponding transition operators are shown to satisfy four-dimensional Lippmann-Schwinger and eight-dimensional Faddeev-type equations, respectively. A simplified model of two particles with Coulomb interaction can be solved exactly. Calculations have been made of (i) the partial wave S-matrix from which the bound state spectrum has been extracted; the latter agrees with a fourth-order result of Schwinger; (ii) the full scattering amplitude which in the weak-field limit coincides with the expression derived by Fried et al. from eikonalized QED. (author)

  18. Isolating relativistic effects in large-scale structure

    Science.gov (United States)

    Bonvin, Camille

    2014-12-01

    We present a fully relativistic calculation of the observed galaxy number counts in the linear regime. We show that besides the density fluctuations and redshift-space distortions, various relativistic effects contribute to observations at large scales. These effects all have the same physical origin: they result from the fact that our coordinate system, namely the galaxy redshift and the incoming photons’ direction, is distorted by inhomogeneities in our Universe. We then discuss the impact of the relativistic effects on the angular power spectrum and on the two-point correlation function in configuration space. We show that the latter is very well adapted to isolate the relativistic effects since it naturally makes use of the symmetries of the different contributions. In particular, we discuss how the Doppler effect and the gravitational redshift distortions can be isolated by looking for a dipole in the cross-correlation function between a bright and a faint population of galaxies.

  19. Relativistic charged Bose gas

    International Nuclear Information System (INIS)

    Hines, D.F.; Frankel, N.E.

    1979-01-01

    The charged Bose has been previously studied as a many body problem of great intrinsic interest which can also serve as a model of some real physical systems, for example, superconductors, white dwarf stars and neutron stars. In this article the excitation spectrum of a relativistic spin-zero charged Bose gas is obtained in a dielectric response formulation. Relativity introduces a dip in the spectrum and consequences of this dip for the thermodynamic functions are discussed

  20. Relativistic heavy ion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Brink, D M

    1989-08-01

    The theory of quantum chromodynamics predicts that if nuclear matter is heated to a sufficiently high temperature then quarks might become deconfined and a quark-gluon plasma could be produced. One of the aims of relativistic heavy ion experiments is to search for this new state of matter. These lectures survey some of the new experimental results and give an introduction to the theories used to interpret them. 48 refs., 4 tabs., 11 figs.

  1. Relativistic Ideal Clock

    OpenAIRE

    Bratek, Łukasz

    2015-01-01

    Two particularly simple ideal clocks exhibiting intrinsic circular motion with the speed of light and opposite spin alignment are described. The clocks are singled out by singularities of an inverse Legendre transformation for relativistic rotators of which mass and spin are fixed parameters. Such clocks work always the same way, no matter how they move. When subject to high accelerations or falling in strong gravitational fields of black holes, the clocks could be used to test the clock hypo...

  2. Relativistic heavy ion reactions

    International Nuclear Information System (INIS)

    Brink, D.M.

    1989-08-01

    The theory of quantum chromodynamics predicts that if nuclear matter is heated to a sufficiently high temperature then quarks might become deconfined and a quark-gluon plasma could be produced. One of the aims of relativistic heavy ion experiments is to search for this new state of matter. These lectures survey some of the new experimental results and give an introduction to the theories used to interpret them. 48 refs., 4 tabs., 11 figs

  3. Relativistic thermodynamics of Fluids. l

    International Nuclear Information System (INIS)

    Havas, P.; Swenson, R.J.

    1979-01-01

    In 1953, Stueckelberg and Wanders derived the basic laws of relativistic linear nonequilibrium thermodynamics for chemically reacting fluids from the relativistic local conservation laws for energy-momentum and the local laws of production of substances and of nonnegative entropy production by the requirement that the corresponding currents (assumed to depend linearly on the derivatives of the state variables) should not be independent. Generalizing their method, we determine the most general allowed form of the energy-momentum tensor T/sup alphabeta/ and of the corresponding rate of entropy production under the same restriction on the currents. The problem of expressing this rate in terms of thermodynamic forces and fluxes is discussed in detail; it is shown that the number of independent forces is not uniquely determined by the theory, and seven possibilities are explored. A number of possible new cross effects are found, all of which persist in the Newtonian (low-velocity) limit. The treatment of chemical reactions is incorporated into the formalism in a consistent manner, resulting in a derivation of the law for rate of production, and in relating this law to transport processes differently than suggested previously. The Newtonian limit is discussed in detail to establish the physical interpretation of the various terms of T/sup alphabeta/. In this limit, the interpretation hinges on that of the velocity field characterizing the fluid. If it is identified with the average matter velocity following from a consideration of the number densities, the usual local conservation laws of Newtonian nonequilibrium thermodynamics are obtained, including that of mass. However, a slightly different identification allows conversion of mass into energy even in this limit, and thus a macroscopic treatment of nuclear or elementary particle reactions. The relation of our results to previous work is discussed in some detail

  4. Gravitationally confined relativistic neutrinos

    Science.gov (United States)

    Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.

    2017-09-01

    Combining special relativity, the equivalence principle, and Newton’s universal gravitational law with gravitational rather than rest masses, one finds that gravitational interactions between relativistic neutrinos with kinetic energies above 50 MeV are very strong and can lead to the formation of gravitationally confined composite structures with the mass and other properties of hadrons. One may model such structures by considering three neutrinos moving symmetrically on a circular orbit under the influence of their gravitational attraction, and by assuming quantization of their angular momentum, as in the Bohr model of the H atom. The model contains no adjustable parameters and its solution, using a neutrino rest mass of 0.05 eV/c2, leads to composite state radii close to 1 fm and composite state masses close to 1 GeV/c2. Similar models of relativistic rotating electron - neutrino pairs give a mass of 81 GeV/c2, close to that of W bosons. This novel mechanism of generating mass suggests that the Higgs mass generation mechanism can be modeled as a latent gravitational field which gets activated by relativistic neutrinos.

  5. Point form relativistic quantum mechanics and relativistic SU(6)

    Science.gov (United States)

    Klink, W. H.

    1993-01-01

    The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

  6. Anomalous magnetohydrodynamics in the extreme relativistic domain

    CERN Document Server

    Giovannini, Massimo

    2016-01-01

    The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...

  7. Transport theory for relativistic ionized gases

    International Nuclear Information System (INIS)

    Georgiou, A.

    1985-01-01

    The phenomenological non-equilibrium thermodynamics is adapted to the description of relativistic multicomponent plasmas. The general and special forms of matter energy-momentum tensor are given and the physical meaning of the different terms are discussed. A delicate problem of such theories, the contribution of ionized components of plasmas to the electromagnetic energy-momentum tensor is analyzed and illustrated by special examples. The relativistic form of Gibbs equation leads to the balance equation of entropy density. The theory is compared to the nonrelativistic one. The linear transport equations are derived by assuming the linear dependence of currents on deviations. The thermodynamical fluxes and forces are identified and the interference of cross phenomena is discussed. (D.Gy.)

  8. Intense EM filamentation in relativistic hot plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Qiang-Lin [Department of Physics, Jinggangshan University, Ji' an, Jiangxi 343009 (China); Chen, Zhong-Ping [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Mahajan, Swadesh M., E-mail: mahajan@mail.utexas.edu [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Department of Physics, School of Natural Sciences, Shiv Nadar University, Uttar Pradesh 201314 (India)

    2017-03-03

    Highlights: • Breaking up of an intense EM pulse into filaments is a spectacular demonstration of the nonlinear wave-plasma interaction. • Filaments are spectacularly sharper, highly extended and longer lived at relativistic temperatures. • EM energy concentration can trigger new nonlinear phenomena with absolute consequences for high energy density matter. - Abstract: Through 2D particle-in-cell (PIC) simulations, we demonstrate that the nature of filamentation of a high intensity electromagnetic (EM) pulse propagating in an underdense plasma, is profoundly affected at relativistically high temperatures. The “relativistic” filaments are sharper, are dramatically extended (along the direction of propagation), and live much longer than their lower temperature counterparts. The thermally boosted electron inertia is invoked to understand this very interesting and powerful phenomenon.

  9. Electronic structure of molecules using relativistic effective core potentials

    International Nuclear Information System (INIS)

    Hay, P.J.

    1983-01-01

    In this review an approach is outlined for studying molecules containing heavy atoms with the use of relativistic effective core potentials (RECP's). These potentials play the dual roles of (1) replacing the chemically-inert core electrons and (2) incorporating the mass velocity and Darwin term into a one-electron effective potential. This reduces the problem to a valence-electron problem and avoids computation of additional matrix elements involving relativistic operators. The spin-orbit effects are subsequently included using the molecular orbitals derived from the RECP calculation as a basis

  10. Second-order perturbations of cosmological fluids: Relativistic effects of pressure, multicomponent, curvature, and rotation

    International Nuclear Information System (INIS)

    Hwang, Jai-chan; Noh, Hyerim

    2007-01-01

    We present general relativistic correction terms appearing in Newton's gravity to the second-order perturbations of cosmological fluids. In our previous work we have shown that to the second-order perturbations, the density and velocity perturbation equations of general relativistic zero-pressure, irrotational, single-component fluid in a spatially flat background coincide exactly with the ones known in Newton's theory without using the gravitational potential. We also have shown the effect of gravitational waves to the second order, and pure general relativistic correction terms appearing in the third-order perturbations. Here, we present results of second-order perturbations relaxing all the assumptions made in our previous works. We derive the general relativistic correction terms arising due to (i) pressure, (ii) multicomponent, (iii) background spatial curvature, and (iv) rotation. In the case of multicomponent zero-pressure, irrotational fluids under the flat background, we effectively do not have relativistic correction terms, thus the relativistic equations expressed in terms of density and velocity perturbations again coincide with the Newtonian ones. In the other three cases we generally have pure general relativistic correction terms. In the case of pressure, the relativistic corrections appear even in the level of background and linear perturbation equations. In the presence of background spatial curvature, or rotation, pure relativistic correction terms directly appear in the Newtonian equations of motion of density and velocity perturbations to the second order; to the linear order, without using the gravitational potential (or metric perturbations), we have relativistic/Newtonian correspondences for density and velocity perturbations of a single-component fluid including the rotation even in the presence of background spatial curvature. In the small-scale limit (far inside the horizon), to the second-order, relativistic equations of density and

  11. N-representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method

    International Nuclear Information System (INIS)

    Jeffcoat, David B.; DePrince, A. Eugene

    2014-01-01

    Propagating the equations of motion (EOM) for the one-electron reduced-density matrix (1-RDM) requires knowledge of the corresponding two-electron RDM (2-RDM). We show that the indeterminacy of this expression can be removed through a constrained optimization that resembles the variational optimization of the ground-state 2-RDM subject to a set of known N-representability conditions. Electronic excitation energies can then be obtained by propagating the EOM for the 1-RDM and following the dipole moment after the system interacts with an oscillating external electric field. For simple systems with well-separated excited states whose symmetry differs from that of the ground state, excitation energies obtained from this method are comparable to those obtained from full configuration interaction computations. Although the optimized 2-RDM satisfies necessary N-representability conditions, the procedure cannot guarantee a unique mapping from the 1-RDM to the 2-RDM. This deficiency is evident in the mean-field-quality description of transitions to states of the same symmetry as the ground state, as well as in the inability of the method to describe Rabi oscillations

  12. N-representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method

    Science.gov (United States)

    Jeffcoat, David B.; DePrince, A. Eugene

    2014-12-01

    Propagating the equations of motion (EOM) for the one-electron reduced-density matrix (1-RDM) requires knowledge of the corresponding two-electron RDM (2-RDM). We show that the indeterminacy of this expression can be removed through a constrained optimization that resembles the variational optimization of the ground-state 2-RDM subject to a set of known N-representability conditions. Electronic excitation energies can then be obtained by propagating the EOM for the 1-RDM and following the dipole moment after the system interacts with an oscillating external electric field. For simple systems with well-separated excited states whose symmetry differs from that of the ground state, excitation energies obtained from this method are comparable to those obtained from full configuration interaction computations. Although the optimized 2-RDM satisfies necessary N-representability conditions, the procedure cannot guarantee a unique mapping from the 1-RDM to the 2-RDM. This deficiency is evident in the mean-field-quality description of transitions to states of the same symmetry as the ground state, as well as in the inability of the method to describe Rabi oscillations.

  13. Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

    Science.gov (United States)

    Kurashige, Yuki; Yanai, Takeshi

    2011-09-07

    We present a second-order perturbation theory based on a density matrix renormalization group self-consistent field (DMRG-SCF) reference function. The method reproduces the solution of the complete active space with second-order perturbation theory (CASPT2) when the DMRG reference function is represented by a sufficiently large number of renormalized many-body basis, thereby being named DMRG-CASPT2 method. The DMRG-SCF is able to describe non-dynamical correlation with large active space that is insurmountable to the conventional CASSCF method, while the second-order perturbation theory provides an efficient description of dynamical correlation effects. The capability of our implementation is demonstrated for an application to the potential energy curve of the chromium dimer, which is one of the most demanding multireference systems that require best electronic structure treatment for non-dynamical and dynamical correlation as well as large basis sets. The DMRG-CASPT2/cc-pwCV5Z calculations were performed with a large (3d double-shell) active space consisting of 28 orbitals. Our approach using large-size DMRG reference addressed the problems of why the dissociation energy is largely overestimated by CASPT2 with the small active space consisting of 12 orbitals (3d4s), and also is oversensitive to the choice of the zeroth-order Hamiltonian. © 2011 American Institute of Physics

  14. Density matrix renormalization group simulations of SU(N ) Heisenberg chains using standard Young tableaus: Fundamental representation and comparison with a finite-size Bethe ansatz

    Science.gov (United States)

    Nataf, Pierre; Mila, Frédéric

    2018-04-01

    We develop an efficient method to perform density matrix renormalization group simulations of the SU(N ) Heisenberg chain with open boundary conditions taking full advantage of the SU(N ) symmetry of the problem. This method is an extension of the method previously developed for exact diagonalizations and relies on a systematic use of the basis of standard Young tableaux. Concentrating on the model with the fundamental representation at each site (i.e., one particle per site in the fermionic formulation), we have benchmarked our results for the ground-state energy up to N =8 and up to 420 sites by comparing them with Bethe ansatz results on open chains, for which we have derived and solved the Bethe ansatz equations. The agreement for the ground-state energy is excellent for SU(3) (12 digits). It decreases with N , but it is still satisfactory for N =8 (six digits). Central charges c are also extracted from the entanglement entropy using the Calabrese-Cardy formula and agree with the theoretical values expected from the SU (N) 1 Wess-Zumino-Witten conformal field theories.

  15. Speeds of Propagation in Classical and Relativistic Extended Thermodynamics

    Directory of Open Access Journals (Sweden)

    Müller Ingo

    1999-01-01

    Full Text Available The Navier-Stokes-Fourier theory of viscous, heat-conducting fluids provides parabolic equations and thus predicts infinite pulse speeds. Naturally this feature has disqualified the theory for relativistic thermodynamics which must insist on finite speeds and, moreover, on speeds smaller than $c$. The attempts at a remedy have proved heuristically important for a new systematic type of thermodynamics: Extended thermodynamics. That new theory has symmetric hyperbolic field equations and thus it provides finite pulse speeds. Extended thermodynamics is a whole hierarchy of theories with an increasing number of fields when gradients and rates of thermodynamic processes become steeper and faster. The first stage in this hierarchy is the 14-field theory which may already be a useful tool for the relativist in many applications. The 14 fields -- and further fields -- are conveniently chosen from the moments of the kinetic theory of gases. The hierarchy is complete only when the number of fields tends to infinity. In that case the pulse speed of non-relativistic extended thermodynamics tends to infinity while the pulse speed of relativistic extended thermodynamics tends to $c$, the speed of light. In extended thermodynamics symmetric hyperbolicity -- and finite speeds -- are implied by the concavity of the entropy density. This is still true in relativistic thermodynamics for a privileged entropy density which is the entropy density of the rest frame for non-degenerate gases.

  16. Ion-acoustic envelope modes in a degenerate relativistic electron-ion plasma

    Energy Technology Data Exchange (ETDEWEB)

    McKerr, M.; Kourakis, I. [Centre for Plasma Physics, School of Mathematics and Physics, Queen' s University Belfast, BT7 1NN Belfast, Northern Ireland (United Kingdom); Haas, F. [Instituto de Física, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, Porto Alegre, RS (Brazil)

    2016-05-15

    A self-consistent relativistic two-fluid model is proposed for one-dimensional electron-ion plasma dynamics. A multiple scales perturbation technique is employed, leading to an evolution equation for the wave envelope, in the form of a nonlinear Schrödinger type equation (NLSE). The inclusion of relativistic effects is shown to introduce density-dependent factors, not present in the non-relativistic case—in the conditions for modulational instability. The role of relativistic effects on the linear dispersion laws and on envelope soliton solutions of the NLSE is discussed.

  17. Study of the O-mode in a relativistic degenerate electron plasma

    Science.gov (United States)

    Azra, Kalsoom; Ali, Muddasir; Hussain, Azhar

    2017-03-01

    Using the linearized relativistic Vlasov-Maxwell equations, a generalized expression for the plasma conductivity tensor is derived. The dispersion relation for the O-mode in a relativistic degenerate electron plasma is investigated by employing the Fermi-Dirac distribution function. The propagation characteristics of the O-mode (cut offs, resonances, propagation regimes, harmonic structure) are examined by using specific values of the density and the magnetic field that correspond to different relativistic dense environments. Further, it is observed that due to the relativistic effects the cut off and the resonance points are shifted to low frequency values, as a result the propagation regime is reduced. The dispersion relations for the non-relativistic and the ultra-relativistic limits are also presented.

  18. Physical equivalence of three forms of relativistic dynamics and addition of interactions in the front and instant forms

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1977-01-01

    The point, instant and front forms of the relativistic Hamiltonian theory are shown to be S-matrix equivalent in the general case (of many channels and particles with spin). The corresponding transformations are found. The problem of relativistic addition of the direct interactions is solved for the front and instant forms of dynamics

  19. Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers

    DEFF Research Database (Denmark)

    Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek

    2016-01-01

    Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic...

  20. Relativistic twins or sextuplets?

    International Nuclear Information System (INIS)

    Sheldon, Eric

    2003-01-01

    A recent study of the relativistic twin 'paradox' by Soni in this journal affirmed that 'A simple solution of the twin paradox also shows anomalous behaviour of rigidly connected distant clocks' but entailed a pedagogic hurdle which the present treatment aims to surmount. Two scenarios are presented: the first 'flight-plan' is akin to that depicted by Soni, with constant-velocity segments, while the second portrays an alternative mission undertaken with sustained acceleration and deceleration, illustrated quantitatively for a two-way spacecraft flight from Earth to Polaris (465.9 light years distant) and back

  1. Relativistic twins or sextuplets?

    CERN Document Server

    Sheldon, E S

    2003-01-01

    A recent study of the relativistic twin 'paradox' by Soni in this journal affirmed that 'A simple solution of the twin paradox also shows anomalous behaviour of rigidly connected distant clocks' but entailed a pedagogic hurdle which the present treatment aims to surmount. Two scenarios are presented: the first 'flight-plan' is akin to that depicted by Soni, with constant-velocity segments, while the second portrays an alternative mission undertaken with sustained acceleration and deceleration, illustrated quantitatively for a two-way spacecraft flight from Earth to Polaris (465.9 light years distant) and back.

  2. Relativistic quantum cryptography

    Science.gov (United States)

    Kaniewski, Jedrzej

    Special relativity states that information cannot travel faster than the speed of light, which means that communication between agents occupying distinct locations incurs some minimal delay. Alternatively, we can see it as temporary communication constraints between distinct agents and such constraints turn out to be useful for cryptographic purposes. In relativistic cryptography we consider protocols in which interactions occur at distinct locations at well-defined times and we investigate why such a setting allows to implement primitives which would not be possible otherwise. (Abstract shortened by UMI.).

  3. Relativistic distances, sizes, lengths

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1992-01-01

    Such notion as light or retarded distance, field size, formation way, visible size of a body, relativistic or radar length and wave length of light from a moving atom are considered. The relation between these notions is cleared up, their classification is given. It is stressed that the formation way is defined by the field size of a moving particle. In the case of the electromagnetic field, longitudinal sizes increase proportionally γ 2 with growing charge velocity (γ is the Lorentz-factor). 18 refs

  4. Localization of relativistic particles

    International Nuclear Information System (INIS)

    Omnes, R.

    1997-01-01

    In order to discuss localization experiments and also to extend the consistent history interpretation of quantum mechanics to relativistic properties, the techniques introduced in a previous paper [J. Math. Phys. 38, 697 (1997)] are applied to the localization of a photon in a given region of space. An essential requirement is to exclude arbitrarily large wavelengths. The method is valid for a particle with any mass and spin. Though there is no proper position operator for a photon, one never needs one in practice. Causality is valid up to exponentially small corrections. copyright 1997 American Institute of Physics

  5. Relativistic wave mechanics

    CERN Document Server

    Corinaldesi, Ernesto

    1963-01-01

    Geared toward advanced undergraduate and graduate students of physics, this text provides readers with a background in relativistic wave mechanics and prepares them for the study of field theory. The treatment originated as a series of lectures from a course on advanced quantum mechanics that has been further amplified by student contributions.An introductory section related to particles and wave functions precedes the three-part treatment. An examination of particles of spin zero follows, addressing wave equation, Lagrangian formalism, physical quantities as mean values, translation and rotat

  6. Relativistic quarkonium dynamics

    International Nuclear Information System (INIS)

    Sazdjian, H.

    1985-06-01

    We present, in the framework of relativistic quantum mechanics of two interacting particles, a general model for quarkonium systems satisfying the following four requirements: confinement, spontaneous breakdown of chiral symmetry, soft explicit chiral symmetry breaking, short distance interactions of the vector type. The model is characterized by two arbitrary scalar functions entering in the large and short distance interaction potentials, respectively. Using relationships with corresponding quantities of the Bethe-Salpeter equation, we also present the normalization condition of the wave functions, as well as the expressions of the meson decay coupling constants. The quark masses appear in this model as free parameters

  7. Proton relativistic model

    International Nuclear Information System (INIS)

    Araujo, Wilson Roberto Barbosa de

    1995-01-01

    In this dissertation, we present a model for the nucleon, which is composed by three relativistic quarks interacting through a contract force. The nucleon wave-function was obtained from the Faddeev equation in the null-plane. The covariance of the model under kinematical null-plane boots is discussed. The electric proton form-factor, calculated from the Faddeev wave-function, was in agreement with the data for low-momentum transfers and described qualitatively the asymptotic region for momentum transfers around 2 GeV. (author)

  8. Relativistic nuclear collisions: theory

    International Nuclear Information System (INIS)

    Gyulassy, M.

    1980-07-01

    Some of the recent theoretical developments in relativistic (0.5 to 2.0-GeV/nucleon) nuclear collisions are reviewed. The statistical model, hydrodynamic model, classical equation of motion calculations, billiard ball dynamics, and intranuclear cascade models are discussed in detail. Inclusive proton and pion spectra are analyzed for a variety of reactions. Particular attention is focused on how the complex interplay of the basic reaction mechanism hinders attempts to deduce the nuclear matter equation of state from data. 102 references, 19 figures

  9. [Relativistic heavy ion research

    International Nuclear Information System (INIS)

    1991-01-01

    The present document describes our second-year application for a continuation grant on relativistic heavy-ion research at Nevis Laboratories, Columbia University, over the two-year period starting from November 15, 1990. The progress during the current budget year is presented. This year, construction of RHIC officially began. As a result, the entire Nevis nuclear physics group has made a coherent effort to create new proposal for an Open Axially Symmetric Ion Spectrometer (OASIS) proposal. Future perspectives and our plans for this proposal are described

  10. Relativistic Hartree-Bogoliubov description of the halo nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Meng, J.; Ring, P. [Universitaet Muenchen, Garching (Germany)

    1996-12-31

    Here the authors report the development of the relativistic Hartree-Bogoliubov theory in coordinate space. Pairing correlations are taken into account by both density dependent force of zero range and finite range Gogny force. As a primary application the relativistic HB theory is used to describe the chain of Lithium isotopes reaching from {sup 6}Li to {sup 11}Li. In contrast to earlier investigations within a relativistic mean field theory and a density dependent Hartree Fock theory, where the halo in {sup 11}Li could only be reproduced by an artificial shift of the 1p{sub 1/2} level close to the continuum limit, the halo is now reproduced in a self-consistent way without further modifications using the scattering of Cooper pairs to the 2s{sub 1/2} level in the continuum. Excellent agreement with recent experimental data is observed.

  11. Heavy-ion interactions in relativistic mean-field models

    International Nuclear Information System (INIS)

    Rashdan, M.

    1996-01-01

    The interaction potential between spherical nuclei and the elastic scattering cross section are calculated within relativistic mean-field (linear and non-linear) models, using a generalized relativistic local density approximation. The nuclear densities are calculated self-consistently from the solution of the relativistic mean-field equations. It is found that both the linear and non-linear models predict the characteristic switching-over phenomenon of the heavy-ion nuclear potential, where the potential gets attraction with increasing energy up to some value where it reverses this behaviour. The non-linear NLC model predicts a deeper potential than the linear LW model. The elastic scattering cross section calculated within the non-linear NLC model is in better agreement with experiments than that calculated within the linear LW model. (orig.)

  12. Quasi-relativistic fermions and dynamical flavour oscillations

    CERN Document Server

    Alexandre, Jean; Mavromatos, Nick E.

    2014-01-01

    We introduce new Lorentz-symmetry violating kinematics for a four-fermion interaction model, where dynamical mass generation is allowed, irrespectively of the strength of the coupling. In addition, these kinematics lead to a quasi-relativistic dispersion relation, in the sense that it is relativistic in both the infrared and the ultraviolet, but not in an intermediate regime, characterized by the mass $M$. For two fermions, we show that a flavour-mixing mass matrix is generated dynamically, and the Lorentz symmetric limit $M\\to\\infty$ leads to two free relativistic fermions, with flavour oscillations. This model, valid for either Dirac or Majorana fermions, can describe any set of phenomenological values for the eigen masses and the mixing angle.

  13. Properties of Doubly Heavy Baryons in the Relativistic Quark Model

    International Nuclear Information System (INIS)

    Ebert, D.; Faustov, R.N.; Galkin, V.O.; Martynenko, A.P.

    2005-01-01

    Mass spectra and semileptonic decay rates of baryons consisting of two heavy (b or c) and one light quark are calculated in the framework of the relativistic quark model. The doubly heavy baryons are treated in the quark-diquark approximation. The ground and excited states of both the diquark and quark-diquark bound systems are considered. The quark-diquark potential is constructed. The light quark is treated completely relativistically, while the expansion in the inverse heavy-quark mass is used. The weak transition amplitudes of heavy diquarks bb and bc going, respectively, to bc and cc are explicitly expressed through the overlap integrals of the diquark wave functions in the whole accessible kinematic range. The relativistic baryon wave functions of the quark-diquark bound system are used for the calculation of the decay matrix elements, the Isgur-Wise function, and decay rates in the heavy-quark limit

  14. Relativistic differential-difference momentum operators and noncommutative differential calculus

    International Nuclear Information System (INIS)

    Mir-Kasimov, R.M.

    2011-01-01

    Full text: (author)The relativistic kinetic momentum operators are introduced in the framework of the Quantum Mechanics in the relativistic configuration space (RCS). These operators correspond to the half of the non-Euclidean distance in the Lobachevsky momentum space. In terms of kinetic momentum operators the relativistic kinetic energy is separated from the total Hamiltonian. The role of the plane wave (wave function of the motion with definite value of momentum and energy) plays the generation function for the matrix elements of the unitary irreps of Lorentz group (generalized Jacobi polynomials). The kinetic momentum operators are the interior derivatives in the framework of the non-commutative differential calculus over the commutative algebra generated by the coordinate functions over the RCS

  15. Relativistic approach to nuclear structure

    International Nuclear Information System (INIS)

    Nguyen Van Giai; Bouyssy, A.

    1987-03-01

    Some recent works related with relativistic models of nuclear structure are briefly reviewed. The Dirac-Hartree-Fock and Dirac-Brueckner-Hartree-Fock are recalled and illustrated by some examples. The problem of isoscalar current and magnetic moments of odd nuclei is discussed. The application of the relativistic model to the nuclear response function is examined

  16. Relativistic dynamics without conservation laws

    OpenAIRE

    Rothenstein, Bernhard; Popescu, Stefan

    2006-01-01

    We show that relativistic dynamics can be approached without using conservation laws (conservation of momentum, of energy and of the centre of mass). Our approach avoids collisions that are not easy to teach without mnemonic aids. The derivations are based on the principle of relativity and on its direct consequence, the addition law of relativistic velocities.

  17. 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.

  18. Contraint's theory and relativistic dynamics

    International Nuclear Information System (INIS)

    Longhi, G.; Lusanna, L.

    1987-01-01

    The purpose of this Workshop was to examine the current situation of relativistic dynamics. In particular, Dirac-Bergmann's theory of constraints, which lies at the heart of gauge theories, general relativity, relativistic mechanics and string theories, was chosen as the unifying theoretical framework best suited to investigate such a field. The papers discussed were on general relativity; relativistic mechanics; particle physics and mathematical physics. Also discussed were the problems of classical and quantum level, namely the identification of the classical observables of constrained systems, the equivalence of the nonequivalence of the various ways to quantize such systems; the problem of the anomalies; the best geometrical approach to the theory of constraints; the possibility of unifying all the treatments of relativistic mechanics. This book compiles the papers presented at proceedings of relativistic dynamics and constraints theory

  19. Relativistic Multichannel Treatment of Krypton Spectra across the First Ionization Threshold

    Institute of Scientific and Technical Information of China (English)

    QU Yi-Zhi; PENG Yong-Lun

    2005-01-01

    @@ The relativistic multichannel theory has been extended to calculate both the eigen quantum defects μα, transformation matrix Uiα, and the eigen dipole matrix elements Dα of krypton. The Rydberg and autoionizationspectra of krypton across the first ionization threshold are calculated within the framework of multichannel quantum defect theory. Our calculated spectra are in agreement with the absolute measurement data.

  20. Relativistic centrifugal instability

    Science.gov (United States)

    Gourgouliatos, Konstantinos N.; Komissarov, Serguei S.

    2018-03-01

    Near the central engine, many astrophysical jets are expected to rotate about their axis. Further out they are expected to go through the processes of reconfinement and recollimation. In both these cases, the flow streams along a concave surface and hence, it is subject to the centrifugal force. It is well known that such flows may experience the centrifugal instability (CFI), to which there are many laboratory examples. The recent computer simulations of relativistic jets from active galactic nuclei undergoing the process of reconfinement show that in such jets CFI may dominate over the Kelvin-Helmholtz instability associated with velocity shear (Gourgouliatos & Komissarov). In this letter, we generalize the Rayleigh criterion for CFI in rotating fluids to relativistic flows using a heuristic analysis. We also present the results of computer simulations which support our analytic criterion for the case of an interface separating two uniformly rotating cylindrical flows. We discuss the difference between CFI and the Rayleigh-Taylor instability in flows with curved streamlines.

  1. Relativistic heavy ion physics

    International Nuclear Information System (INIS)

    Hill, J.C.; Wohn, F.K.

    1992-01-01

    In 1992 a proposal by the Iowa State University experimental nuclear physics group entitled ''Relativistic Heavy Ion Physics'' was funded by the US Department of Energy, Office of Energy Research, for a three-year period beginning November 15, 1991. This is a progress report for the first six months of that period but, in order to give a wider perspective, we report here on progress made since the beginning of calendar year 1991. In the first section, entitled ''Purpose and Trends,'' we give some background on the recent trends in our research program and its evolution from an emphasis on nuclear structure physics to its present emphasis on relativistic heavy ion and RHIC physics. The next section, entitled, ''Physics Research Programs,'' is divided into three parts. First, we discuss our participation in the program to develop a large detector named PHENIX for the RHIC accelerator. Second, we outline progress made in the study of electromagnetic dissociation (ED). A highlight of this endeavor is experiments carried out with the 197 Au beam from the AGS accelerator in April 1991. Third, we discuss progress in completion of our nuclear structure studies. In the final section a list of publications, invited talks and contributed talks starting in 1991 is given

  2. Development of the Tagger Microscope & Analysis of Spin Density Matrix Elements in gamma-p -> phi-p for the GlueX Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, Alexander E. [Carnegie Mellon Univ., Pittsburgh, PA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

    2017-05-31

    The quark model has been successful in classifying the spectrum of mesons observed since the 1960s, however, it fails to explain some of the measured bound states. Lattice QCD predictions have shown that an excited gluonic field may contribute to the quantum numbers of the bound state and form hybrid mesons, qq-bar-g, where g is a constituent gluon. It is possible for some hybrids to possess quantum numbers forbidden by the quark model and are known as \\smoking gun" hybrids due to their lack of mixing with conventional qq-bar states. The GlueX photoproduction experiment at Jefferson Lab in Newport News, VA is designed to study hybrid mesons and to map their spectrum. A 12 GeV electron beam produces 9 GeV linearly polarized photons via coherent bremsstrahlung in a diamond radiator which are incident on a liquid H2 target. In order to determine the photon energy, the use of a tagging spectrometer which measures the energy of the post-bremsstrahlung electron is required. The tagger microscope is a scintillating fiber detector designed to measure the energy of electrons corresponding to the polarized photons. The main focus of this work is the design and construction of the tagger microscope electronics as well as the calibration of the microscope within the experiment. Additionally, the analysis of the reaction gamma-p -> phi-p, where phi (1020) -> K+K-, is discussed. This analysis provides a high-level calibration for GlueX in regards to understanding the acceptance and sensitivity of the detectors to mesons with strange quark content. By studying the phi with linearly polarized photons, information on the production mechanism can be extracted. The measurement of the phi spin-density matrix elements are shown and compared with past data which are found to be in agreement.

  3. Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex.

    Science.gov (United States)

    Roemelt, Michael; Krewald, Vera; Pantazis, Dimitrios A

    2018-01-09

    The accurate description of magnetic level energetics in oligonuclear exchange-coupled transition-metal complexes remains a formidable challenge for quantum chemistry. The density matrix renormalization group (DMRG) brings such systems for the first time easily within reach of multireference wave function methods by enabling the use of unprecedentedly large active spaces. But does this guarantee systematic improvement in predictive ability and, if so, under which conditions? We identify operational parameters in the use of DMRG using as a test system an experimentally characterized mixed-valence bis-μ-oxo/μ-acetato Mn(III,IV) dimer, a model for the oxygen-evolving complex of photosystem II. A complete active space of all metal 3d and bridge 2p orbitals proved to be the smallest meaningful starting point; this is readily accessible with DMRG and greatly improves on the unrealistic metal-only configuration interaction or complete active space self-consistent field (CASSCF) values. Orbital optimization is critical for stabilizing the antiferromagnetic state, while a state-averaged approach over all spin states involved is required to avoid artificial deviations from isotropic behavior that are associated with state-specific calculations. Selective inclusion of localized orbital subspaces enables probing the relative contributions of different ligands and distinct superexchange pathways. Overall, however, full-valence DMRG-CASSCF calculations fall short of providing a quantitative description of the exchange coupling owing to insufficient recovery of dynamic correlation. Quantitatively accurate results can be achieved through a DMRG implementation of second order N-electron valence perturbation theory (NEVPT2) in conjunction with a full-valence metal and ligand active space. Perspectives for future applications of DMRG-CASSCF/NEVPT2 to exchange coupling in oligonuclear clusters are discussed.

  4. Data analysis techniques, differential cross sections, and spin density matrix elements for the reaction γp →ϕp

    Science.gov (United States)

    Dey, B.; Meyer, C. A.; Bellis, M.; Williams, M.; Adhikari, K. P.; Adikaram, D.; Aghasyan, M.; Amaryan, M. J.; Anderson, M. D.; Anefalos Pereira, S.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Bedlinskiy, I.; Biselli, A. S.; Bono, J.; Boiarinov, S.; Briscoe, W. J.; Brooks, W. K.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Colaneri, L.; Cole, P. L.; Contalbrigo, M.; Cortes, O.; Crede, V.; D'Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Deur, A.; Djalali, C.; Doughty, D.; Dugger, M.; Dupre, R.; El Alaoui, A.; El Fassi, L.; Elouadrhiri, L.; Fedotov, G.; Fegan, S.; Fleming, J. A.; Garçon, M.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Glazier, D. I.; Goetz, J. T.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Hafidi, K.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Ho, D.; Holtrop, M.; Hyde, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Jenkins, D.; Jo, H. S.; Joo, K.; Keller, D.; Khandaker, M.; Kim, A.; Kim, W.; Klein, A.; Klein, F. J.; Koirala, S.; Kubarovsky, V.; Kuhn, S. E.; Kuleshov, S. V.; Lenisa, P.; Livingston, K.; Lu, H.; MacGregor, I. J. D.; Markov, N.; Mayer, M.; McCracken, M. E.; McKinnon, B.; Mineeva, T.; Mirazita, M.; Mokeev, V.; Montgomery, R. A.; Moriya, K.; Moutarde, H.; Munevar, E.; Munoz Camacho, C.; Nadel-Turonski, P.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Pappalardo, L. L.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Phillips, J. J.; Pisano, S.; Pogorelko, O.; Pozdniakov, S.; Price, J. W.; Procureur, S.; Protopopescu, D.; Puckett, A. J. R.; Rimal, D.; Ripani, M.; Ritchie, B. G.; Rizzo, A.; Rossi, P.; Roy, P.; Sabatié, F.; Saini, M. S.; Schott, D.; Schumacher, R. A.; Seder, E.; Senderovich, I.; Sharabian, Y. G.; Simonyan, A.; Smith, E. S.; Sober, D. I.; Sokhan, D.; Stepanyan, S. S.; Stoler, P.; Strakovsky, I. I.; Strauch, S.; Sytnik, V.; Taiuti, M.; Tang, W.; Tkachenko, S.; Ungaro, M.; Vernarsky, B.; Vlassov, A. V.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Zachariou, N.; Zana, L.; Zhang, J.; Zhao, Z. W.; Zonta, I.; CLAS Collaboration

    2014-05-01

    High-statistics measurements of differential cross sections and spin density matrix elements for the reaction γp →ϕp have been made using the CLAS detector at Jefferson Lab. We cover center-of-mass energies (√s ) from 1.97 to 2.84 GeV, with an extensive coverage in the ϕ production angle. The high statistics of the data sample made it necessary to carefully account for the interplay between the ϕ natural lineshape and effects of the detector resolution, that are found to be comparable in magnitude. We study both the charged- (ϕ →K+K-) and neutral- (ϕ →KS0KL0) KK ¯ decay modes of the ϕ. Further, for the charged mode, we differentiate between the cases where the final K- track is directly detected or its momentum reconstructed as the total missing momentum in the event. The two charged-mode topologies and the neutral-mode have different resolutions and are calibrated against each other. Extensive usage is made of kinematic fitting to improve the reconstructed ϕ mass resolution. Our final results are reported in 10- and mostly 30-MeV-wide √s bins for the charged- and the neutral-modes, respectively. Possible effects from K+Λ* channels with pKK ¯ final states are discussed. These present results constitute the most precise and extensive ϕ photoproduction measurements to date and in conjunction with the ω photoproduction results recently published by CLAS, will greatly improve our understanding of low energy vector meson photoproduction.

  5. Relativistic electron precipitation in the auroral zone

    International Nuclear Information System (INIS)

    Simons, D.J.

    1975-01-01

    The energy spectra and pitch angle distributions of electrons in the energy range 50 keV to 2 MeV have been determined by a solid state electron energy spectrometer during the Relativistic Electron Precipitation (REP) event of 31 May 1972. The experiment was carried aboard a Nike-Cajun sounding rocket as the University of Maryland component of a joint American-Norwegian (NASA-NDRE) ionospheric investigation. The difficulty of determining the expected electron flux prior to the experiment required an instrument with a large dynamic range. The design and theoretical modeling of this instrument is described in great detail. The electron pitch angle distributions are determined from a knowledge of the rocket aspect and the direction in space of the Earth's magnetic field. The electron fluxes during the REP event were highly variable demonstrating correlated energy, flux and pitch angle pulsations with time periods less than one second. Increases in flux were accompanied by marked filling of the loss cone at lower energies (near 50 keV). Drawing upon the quasilinear equations of plasma wave-electron interactions, a theoretical model for the production of relativistic electrons is proposed. A self consistent set of fully relativistic equations for the evolution of the electron distribution function due to the interaction of the electrons with parallel propagating whistler waves is derived in the Appendix. An examination of these equations leads to the conclusion that at comparatively low background electron densities, the anomalous Doppler resonance leads to the acceleration of near relativistic particles. The results of a computer solution of the five coupled integrodifferential quasilinear equations confirms this conclusion

  6. Relativistic ''potential model'' for N-particle systems

    International Nuclear Information System (INIS)

    Noyes, H.P.

    1986-08-01

    Neither quantum field theory nor S-Matrix theory have a well defined procedure for going over to an approximation that can be reliably used in non-relativistic models for nuclear physics. We meet the problem here by constructing a finite particle number relativistic scattering theory for (scalar) particles and mesons using integral equations of the Faddeev-Yakubovsky type. Restricted to N particles and one meson, we can go from the relativistic theory to a ''potential theory'' in the integral equation formulation by using boundary states which do not contain the meson asymptotically. The meson-particle input amplitudes contain a pole at the particle mass, and the particle-particle input amplitudes are null. This gives unique definition (numerically calculable) to the particle-particle off-shell amplitude, and hence to the covariant ''scattering potential'' (but not to the noninvariant concept of ''potential energy''). As we have commented before, if we take these scattering amplitudes as iput for relativistic Faddeev equations, the results are identical to those obtained from the same model starting from three particles and one meson. In this paper we explore how far we can extend this relativistic ''potential model'' to higher numbers of particles and mesons. 10 refs

  7. Relativistic equations of state at finite temperature

    International Nuclear Information System (INIS)

    Santos, A.M.S.; Menezes, D.P.

    2004-01-01

    In this work we study the effects of temperature on the equations of state obtained within a relativistic model with and without β equilibrium, over a wide range of densities. We integrate the TOV equations. We also compare the results of the equation of state, effective mass and strangeness fraction from the TM1, NL3 and GL sets of parameters, as well as investigating the importance of antiparticles in the treatment. The have checked that TM1 and NL3 are not appropriate for the description of neutron and protoneutron stars. (author)

  8. Halo nuclei studied by relativistic mean-field approach

    International Nuclear Information System (INIS)

    Gmuca, S.

    1997-01-01

    Density distributions of light neutron-rich nuclei are studied by using the relativistic mean-field approach. The effective interaction which parameterizes the recent Dirac-Brueckner-Hartree-Fock calculations of nuclear matter is used. The results are discussed and compared with the experimental observations with special reference to the neutron halo in the drip-line nuclei. (author)

  9. Isospin-dependent term in the relativistic microscopic optical potential

    International Nuclear Information System (INIS)

    Rong Jian; Ma Zhongyu; National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou; Chinese Academy of Sciences, Beijing

    2005-01-01

    The isospin-dependence of the relativistic microscopic optical potential is investigated in the Dirac Brueckner-Hartree-Fock approach. The isospin part of the microscopic optical potential is emphasized. A local density approximation is adopted for finite nuclei. Taking 208 Pb as example, the difference between proton and neutron optical potentials is studied and compared with the phenomenological Lane Model potential. (authors)

  10. Intriguing aspects in baryon production at relativistic heavy-ion collider

    Indian Academy of Sciences (India)

    The commencement of the relativistic heavy ion collider (RHIC) operation at Brookhaven ... that an unprecedented high-energy density has been achieved in ... for charged particles and measurement of ionization energy loss (dE/dx) for limited ...

  11. Isospin-dependent properties of asymmetric nuclear matter in relativistic mean-field models

    OpenAIRE

    Chen, Lie-Wen; Ko, Che Ming; Li, Bao-An

    2007-01-01

    Using various relativistic mean-field models, including the nonlinear ones with meson field self-interactions, those with density-dependent meson-nucleon couplings, and the point-coupling models without meson fields, we have studied the isospin-dependent bulk and single-particle properties of asymmetric nuclear matter. In particular, we have determined the density dependence of nuclear symmetry energy from these different relativistic mean-field models and compare the results with the constra...

  12. Elementary relativistic atoms

    International Nuclear Information System (INIS)

    Nemenov, L.

    2001-01-01

    The Coulomb interaction which occurs in the final state between two particles with opposite charges allows for creation of the bound state of these particles. In the case when particles are generated with large momentum in lab frame, the Lorentz factors of the bound state will also be much larger than one. The relativistic velocity of the atoms provides the opportunity to observe bound states of (π + μ - ), (π + π - ) and (π + K - ) with a lifetime as short as 10 -16 s, and to measure their parameters. The ultrarelativistic positronium atoms (A 2e ) allow us to observe the e.ect of superpenetration in matter, to study the effects caused by the formation time of A 2e from virtual e + e - pairs and to investigate the process of transformation of two virtual particles into the bound state

  13. Photoionization at relativistic energies

    International Nuclear Information System (INIS)

    Ionescu, D.C.; Technische Univ. Dresden; Soerensen, A.H.; Belkacem, A.

    2000-11-01

    At MeV energies and beyond the inner-shell vacancy production cross section associated with the photoelectric and Compton effect decrease with increasing photon energy. However, when the photon energy exceeds twice the rest energy of the electron, ionization of a bound electron may be catalyzed by the creation of an electron-positron pair. Distinctly different from all other known mechanisms for inner-shell vacancy production by photons, we show that the cross section for this ''vacuum-assisted photoionization'' increases with increasing photon energy and then saturates. As a main result, we predict that vacuum-assisted photoionization will dominate the other known photoionization mechanisms in the highly relativistic energy regime. (orig.)

  14. Relativistic thermodynamics of fluids

    International Nuclear Information System (INIS)

    Souriau, J.-M.

    1977-05-01

    The relativistic covariant definition of a statistical equilibrium, applied to a perfect gas, involves a 'temperature four-vector', whose direction is the mean velocity of the fluid, and whose length is the reciprocal temperature. The hypothesis of this 'temperature four-vector' being a relevant variable for the description of the dissipative motions of a simple fluid is discussed. The kinematics is defined by using a vector field and measuring the number of molecules. Such a dissipative fluid is subject to motions involving null entropy generation; the 'temperature four-vector' is then a Killing vector; the equations of motion can be completely integrated. Perfect fluids can be studied by this way and the classical results of Lichnerowicz are obtained. In weakly dissipative motions two viscosity coefficient appear together with the heat conductibility coefficient. Two other coefficients perharps measurable on real fluids. Phase transitions and shock waves are described with using the model [fr

  15. Relativistic heavy ion physics

    International Nuclear Information System (INIS)

    Hill, J.C.; Wohn, F.K.

    1993-01-01

    This is a progress report for the period May 1992 through April 1993. The first section, entitled ''Purpose and Trends, gives background on the recent trends in the research program and its evolution from an emphasis on nuclear structure physics to its present emphasis on relativistic heavy ion and RHIC physics. The next section, entitled ''Physics Research Progress'', is divided into four parts: participation in the program to develop a large detector named PHENIX for the RHIC accelerator; joining E864 at the AGS accelerator and the role in that experiment; progress made in the study of electromagnetic dissociation highlight of this endeavor is an experiment carried out with the 197 Au beam from the AGS accelerator in April 1992; progress in completion of the nuclear structure studies. In the final section a list of publications, invited talks, and contributed talks is given

  16. Relativistic plasma dispersion functions

    International Nuclear Information System (INIS)

    Robinson, P.A.

    1986-01-01

    The known properties of plasma dispersion functions (PDF's) for waves in weakly relativistic, magnetized, thermal plasmas are reviewed and a large number of new results are presented. The PDF's required for the description of waves with small wave number perpendicular to the magnetic field (Dnestrovskii and Shkarofsky functions) are considered in detail; these functions also arise in certain quantum electrodynamical calculations involving strongly magnetized plasmas. Series, asymptotic series, recursion relations, integral forms, derivatives, differential equations, and approximations for these functions are discussed as are their analytic properties and connections with standard transcendental functions. In addition a more general class of PDF's relevant to waves of arbitrary perpendicular wave number is introduced and a range of properties of these functions are derived

  17. Relativistic Light Sails

    Energy Technology Data Exchange (ETDEWEB)

    Kipping, David, E-mail: dkipping@astro.columbia.edu [Department of Astronomy, Columbia University, 550 W. 120th St., New York, NY 10027 (United States)

    2017-06-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot , we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ∼10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  18. Relativistic Light Sails

    International Nuclear Information System (INIS)

    Kipping, David

    2017-01-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot , we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ∼10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  19. Some problems in relativistic thermodynamics

    International Nuclear Information System (INIS)

    Veitsman, E. V.

    2007-01-01

    The relativistic equations of state for ideal and real gases, as well as for various interface regions, have been derived. These dependences help to eliminate some controversies in the relativistic thermodynamics based on the special theory of relativity. It is shown, in particular, that the temperature of system whose velocity tends to the velocity of light in vacuum varies in accordance with the Ott law T = T 0 /√1 - v 2 /c 2 . Relativistic dependences for heat and mass transfer, for Ohm's law, and for a viscous flow of a liquid have also been derived

  20. Relativistic hydrodynamics, heavy ion reactions and antiproton annihilation

    International Nuclear Information System (INIS)

    Strottman, D.

    1985-01-01

    The application of relativistic hydrodynamics to relativistic heavy ions and antiproton annihilation is summarized. Conditions for validity of hydrodynamics are presented. Theoretical results for inclusive particle spectra, pion production and flow analysis are given for medium energy heavy ions. The two-fluid model is introduced and results presented for reactions from 800 MeV per nucleon to 15 GeV on 15 GeV per nucleon. Temperatures and densities attained in antiproton annihilation are given. Finally, signals which might indicate the presence of a quark-gluon plasma are briefly surveyed

  1. Diffeomorphism Group Representations in Relativistic Quantum Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Goldin, Gerald A. [Rutgers Univ., Piscataway, NJ (United States); Sharp, David H. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-12-20

    We explore the role played by the di eomorphism group and its unitary representations in relativistic quantum eld theory. From the quantum kinematics of particles described by representations of the di eomorphism group of a space-like surface in an inertial reference frame, we reconstruct the local relativistic neutral scalar eld in the Fock representation. An explicit expression for the free Hamiltonian is obtained in terms of the Lie algebra generators (mass and momentum densities). We suggest that this approach can be generalized to elds whose quanta are spatially extended objects.

  2. Relativistic mean field calculations in neutron-rich nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gangopadhyay, G.; Bhattacharya, Madhubrata [Department of Physics, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700 009 (India); Roy, Subinit [Saha Institute of Nuclear Physics, Block AF, Sector 1, Kolkata- 700 064 (India)

    2014-08-14

    Relativistic mean field calculations have been employed to study neutron rich nuclei. The Lagrange's equations have been solved in the co-ordinate space. The effect of the continuum has been effectively taken into account through the method of resonant continuum. It is found that BCS approximation performs as well as a more involved Relativistic Continuum Hartree Bogoliubov approach. Calculations reveal the possibility of modification of magic numbers in neutron rich nuclei. Calculation for low energy proton scattering cross sections shows that the present approach reproduces the density in very light neutron rich nuclei.

  3. A Tryst With Density

    Indian Academy of Sciences (India)

    best known for developing the density functional theory (DFT). This is an extremely ... lem that has become famous in popular culture is that of the planet. Tatooine. Fans of ... the Schrödinger equation (or, if relativistic effects are important, the Dirac .... it supplies a moral justification for one's subsequent endeav- ours along ...

  4. Relativistic scattering theory of two charged spinless particles

    International Nuclear Information System (INIS)

    Alt, E.O.; Hannemann

    1985-01-01

    In the framework of a relativistic quantum mechanics, the authors calculate for two spinless particles with Coulomb interaction exactly the partial-wave S-matrix and the full scattering amplitude. From the former they can extract the exact binding energies which, when expanded in powers of α, reproduce in the hydrogenic case the fourth-order result of a previous study. In the weak field limit, the latter coincides with the amplitude derived by another study from QED in eikonal approximation

  5. An Ada environment for relativistic cross section calculations

    International Nuclear Information System (INIS)

    Nilsson, E.

    1990-01-01

    We have developed an Ada environment adapted to relativistic cross section calculations. Objects such as four-vectors, γ- matrices and propagators are defined as well as operations between these objects. In this environment matrix elements can be expressed in a compact and readable way as Ada code. Unpolarized cross sections are calculated numerically by explicitly summing and averaging over spins and polarizations. A short presentation of the technique is given

  6. Quantum mechanics in matrix form

    CERN Document Server

    Ludyk, Günter

    2018-01-01

    This book gives an introduction to quantum mechanics with the matrix method. Heisenberg's matrix mechanics is described in detail. The fundamental equations are derived by algebraic methods using matrix calculus. Only a brief description of Schrödinger's wave mechanics is given (in most books exclusively treated), to show their equivalence to Heisenberg's matrix  method. In the first part the historical development of Quantum theory by Planck, Bohr and Sommerfeld is sketched, followed by the ideas and methods of Heisenberg, Born and Jordan. Then Pauli's spin and exclusion principles are treated. Pauli's exclusion principle leads to the structure of atoms. Finally, Dirac´s relativistic quantum mechanics is shortly presented. Matrices and matrix equations are today easy to handle when implementing numerical algorithms using standard software as MAPLE and Mathematica.

  7. Conductivity of a relativistic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Braams, B.J.; Karney, C.F.F.

    1989-03-01

    The collision operator for a relativistic plasma is reformulated in terms of an expansion in spherical harmonics. This formulation is used to calculate the electrical conductivity. 13 refs., 1 fig., 1 tab.

  8. Relativistic description of atomic nuclei

    International Nuclear Information System (INIS)

    Krutov, V.A.

    1985-01-01

    Papers on the relativistic description of nuclei are reviewed. The Brown and Rho ''small'' bag'' model is accepted for hardrons. Meson exchange potentials of the nucleon-nucleon interaction have been considered. Then the transition from a system of two interacting nucleons has been performed to the relativistic nucleus description as a multinucleon system on the basis of OBEP (one-boson exchange potential). The proboem of OPEP (one-pion-exchange potential) inclusion to a relativistic scheme is discussed. Simplicity of calculations and attractiveness of the Walecka model for specific computations and calculations was noted. The relativistic model of nucleons interacting through ''effective'' scalar and vector boson fields was used in the Walacka model for describing neutronaand nuclear mater matters

  9. Conductivity of a relativistic plasma

    International Nuclear Information System (INIS)

    Braams, B.J.; Karney, C.F.F.

    1989-03-01

    The collision operator for a relativistic plasma is reformulated in terms of an expansion in spherical harmonics. This formulation is used to calculate the electrical conductivity. 13 refs., 1 fig., 1 tab

  10. Causality and relativistic effects in intranuclear cascade calculations

    International Nuclear Information System (INIS)

    Kodama, T.; Duarte, S.B.; Chung, K.C.; Donangelo, R.J.; Nazareth, R.A.M.S.

    1983-01-01

    Relativistic effects in high energy nuclear collisions, when non-invariance of simultaneity is taken into account, are studied. It is shown that the time ordering of nucleon-nucleon collisions is quite different for different observers, giving in some cases non-invariant final results for intranuclear cascade (INC) calculations. In particular, an example of such a case is shown, in which the INC simulation, depending on the reference frame, presents a kind of density instability caused by a specific time ordering of collision events. A new INC calculation, using a causality preserving scheme, which minimizes this kind of relativistic effect is proposed. It is verified that the causality preserving INC prescription essentially recovers the relativistic invariance. (Author) [pt

  11. Measuring the cosmological background of relativistic particles with WMAP

    CERN Document Server

    Crotty, P; Pastor, S; Crotty, Patrick; Lesgourgues, Julien; Pastor, Sergio

    2003-01-01

    We show that the first year results of the Wilkinson Microwave Anisotropy Probe (WMAP) constrain very efficiently the energy density in relativistic particles in the universe. We derive new bounds on additional relativistic degrees of freedom expressed in terms of an excess in the effective number of light neutrinos Delta N_eff. Within the flat LambdaCDM scenario, the allowed range is Delta N_eff < 6 (95% CL) using WMAP data only, or -2.6 < Delta N_eff < 4 with the prior H_0= 72 \\pm 8 km/s/Mpc. When other cosmic microwave background and large scale structure experiments are taken into account, the window shrinks to -1.5 < Delta N_eff < 4.2. These results are in perfect agreement with the bounds from primordial nucleosynthesis. Non-minimal cosmological models with extra relativistic degrees of freedom are now severely restricted.

  12. Relativistic beaming and orientation effects in core-dominated quasars

    International Nuclear Information System (INIS)

    Ubachukwu, A.A.; Chukwude, A.E.

    2002-07-01

    In this paper, we investigate the relativistic beaming effects in a well-defined sample of core- dominated quasars using the correlation between the relative prominence of the core with respect to the extended emission (defined as the ratio of the core- to the lobe- flux density measured in the rest frame of the source) and the projected linear size as an indicator of relativistic beaming and source orientation. Based on the orientation-dependent relativistic beaming and unification paradigm for high luminosity sources in which the Fanaroff-Riley class-ll radio galaxies form the unbeamed parent population of both the lobe- and core-dominated quasars which are expected to lie at successively smaller angles to the line of sight, we find that the flows in the cores of these core-dominated quasars are highly relativistic, with optimum bulk Lorentz factor, γ opt ∼6-16, and also highly anisotropic, with an average viewing angle, ∼ 9 deg. - 16 deg. Furthermore, the largest boosting occurs within a critical cone angle of ∼ 4 deg. - 10 deg. The results suggest that relativistic bulk flow appears to extend to kilo-parsec scales in these sources. (author)

  13. An introduction to relativistic hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Font, Jose A [Departamento de AstronomIa y AstrofIsica, Universidad de Valencia, Dr. Moliner 50, 46100 Burjassot (Valencia) (Spain)

    2007-11-15

    We review formulations of the equations of (inviscid) general relativistic hydrodynamics and (ideal) magnetohydrodynamics, along with methods for their numerical solution. Both systems can be cast as first-order, hyperbolic systems of conservation laws, following the explicit choice of an Eulerian observer and suitable fluid and magnetic field variables. During the last fifteen years, the so-called (upwind) high-resolution shock-capturing schemes based on Riemann solvers have been successfully extended from classical to relativistic fluid dynamics, both special and general. Nowadays, general relativistic hydrodynamical simulations in relativistic astrophysics are routinely performed, particularly within the test-fluid approximation but also for dynamical spacetimes. While such advances also hold true in the case of the MHD equations, the astrophysical applications investigated so far are still limited, yet the field is bound to witness major developments in the near future. The article also presents a brief overview of numerical techniques, providing state-of-the-art examples of their applicability to general relativistic fluids and magneto-fluids in characteristic scenarios of relativistic astrophysics.

  14. Interacting hadron resonance gas model in the K -matrix formalism

    Science.gov (United States)

    Dash, Ashutosh; Samanta, Subhasis; Mohanty, Bedangadas

    2018-05-01

    An extension of hadron resonance gas (HRG) model is constructed to include interactions using relativistic virial expansion of partition function. The noninteracting part of the expansion contains all the stable baryons and mesons and the interacting part contains all the higher mass resonances which decay into two stable hadrons. The virial coefficients are related to the phase shifts which are calculated using K -matrix formalism in the present work. We have calculated various thermodynamics quantities like pressure, energy density, and entropy density of the system. A comparison of thermodynamic quantities with noninteracting HRG model, calculated using the same number of hadrons, shows that the results of the above formalism are larger. A good agreement between equation of state calculated in K -matrix formalism and lattice QCD simulations is observed. Specifically, the lattice QCD calculated interaction measure is well described in our formalism. We have also calculated second-order fluctuations and correlations of conserved charges in K -matrix formalism. We observe a good agreement of second-order fluctuations and baryon-strangeness correlation with lattice data below the crossover temperature.

  15. Superheavy nuclei: a relativistic mean field outlook

    International Nuclear Information System (INIS)

    Afanasjev, A.V.

    2006-01-01

    The analysis of quasi-particle spectra in the heaviest A∼250 nuclei with spectroscopic data provides an additional constraint for the choice of effective interaction for the description of superheavy nuclei. It strongly suggests that only the parametrizations which predict Z = 120 and N = 172 as shell closures are reliable for superheavy nuclei within the relativistic mean field theory. The influence of the central depression in the density distribution of spherical superheavy nuclei on the shell structure is studied. A large central depression produces large shell gaps at Z = 120 and N = 172. The shell gaps at Z = 126 and N = 184 are favoured by a flat density distribution in the central part of the nucleus. It is shown that approximate particle number projection (PNP) by means of the Lipkin-Nogami (LN) method removes pairing collapse seen at these gaps in the calculations without PNP

  16. Relativistic few quark dynamics for hadrons

    International Nuclear Information System (INIS)

    Mitra, A.N.

    1983-07-01

    A microscopic confinement approach is presented to a few quarks systems through an effective (harmonic) kernel inserted at the level of q-q-bar and q-q pairs, using the vehicle of the Bethe-Salpeter equation for each such system. The formalism, which is realistic for light quark systems (which require an intrinsically relativistic treatment), has been developed in a simple enough form so as to be applicable in practice to a large class of phenomena amenable to experimental test. The comparison over a wide range of hadronic properties (from mass spectra to current matrix elements), all within a single integrated framework, would seem to strongly support the ansatz of universality of the reduced spring constant (ω-tilde) which plays a role analogous to the bag radius, but at a far more microscopic level

  17. Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He{sub 2}, Ne{sub 2}, Ar{sub 2}, Kr{sub 2}, Xe{sub 2}, Rn{sub 2} and Uuo{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kullie, Ossama [Institute de Chimie de Strasbourg, CNRS et Universite de Strasbourg, Laboratoire de Chimie Quantique, 4 rue Blaise Pascal, 67070 Strasbourg (France); Saue, Trond, E-mail: trond.saue@isamc.ups-tlse.fr [Laboratoire de Chimie et Physique Quantique (UMR 5626), CNRS/Universite de Toulouse 3 (Paul Sabatier), 118 route de Narbonne, 31062 Toulouse (France)

    2012-02-20

    Highlights: Black-Right-Pointing-Pointer First implementation of 4-component relativistic long-range MP2/short-range DFT. Black-Right-Pointing-Pointer First complete study of spectroscopic constants of the rare gas dimers He{sub 2}-Uuo{sub 2}. Black-Right-Pointing-Pointer MP2-srLDA has a performance similar to pure MP2, but the overbinding of MP2 can be tuned by the range-separation parameter. - Abstract: We report the implementation of long-range second-order Moller-Plesset perturbation theory coupled with short-range density functional theory (MP2-srDFT) based on the 4-component relativistic Dirac-Coulomb Hamiltonian. The range separation of the two-electron interaction is based on the error function, such that the long-range interaction, to be handled by wave function theory, corresponds to the potential of finite electrons with a Gaussian charge distribution. We argue that the interelectronic distance associated with the range-separation parameter should accordingly be determined from a Gaussian rather than a hard-sphere model. As a first application of our relativistic MP2-srDFT implementation we calculate spectroscopic constants of the complete series of homoatomic rare gas dimers, from helium to the superheavy element 118 and with bonding dominated by dispersion forces. We find that the MP2-srDFT method is less sensitive to the basis set quality than pure MP2, but for the heavier rare gas dimers the computational cost is approximately the same as for pure MP2 if one seeks convergence with respect to both basis set and number of correlated electrons. The inclusion of a short-range DFT contribution allows to dampen the tendency of pure MP2 to overbind the heavier dimers, but it is difficult to find an optimal range-separation parameter for the whole series of diatomics. Interestingly, MP2-srLDA shows better performance than MP2-srPBE for the selected molecules.

  18. Relativistic electron beam acceleration by cascading nonlinear Landau damping of electromagnetic waves in a plasma

    International Nuclear Information System (INIS)

    Sugaya, R.; Ue, A.; Maehara, T.; Sugawa, M.

    1996-01-01

    Acceleration and heating of a relativistic electron beam by cascading nonlinear Landau damping involving three or four intense electromagnetic waves in a plasma are studied theoretically based on kinetic wave equations and transport equations derived from relativistic Vlasov endash Maxwell equations. Three or four electromagnetic waves excite successively two or three nonresonant beat-wave-driven relativistic electron plasma waves with a phase velocity near the speed of light [v p =c(1-γ -2 p ) 1/2 , γ p =ω/ω pe ]. Three beat waves interact nonlinearly with the electron beam and accelerate it to a highly relativistic energy γ p m e c 2 more effectively than by the usual nonlinear Landau damping of two electromagnetic waves. It is proved that the electron beam can be accelerated to more highly relativistic energy in the plasma whose electron density decreases temporally with an appropriate rate because of the temporal increase of γ p . copyright 1996 American Institute of Physics

  19. Relativistic theory of gravitation

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1986-01-01

    In the present paper a relativistic theory of gravitation (RTG) is unambiguously constructed on the basis of the special relativity and geometrization principle. In this a gravitational field is treated as the Faraday--Maxwell spin-2 and spin-0 physical field possessing energy and momentum. The source of a gravitational field is the total conserved energy-momentum tensor of matter and of a gravitational field in Minkowski space. In the RTG the conservation laws are strictly fulfilled for the energy-moment and for the angular momentum of matter and a gravitational field. The theory explains the whole available set of experiments on gravity. By virtue of the geometrization principle, the Riemannian space in our theory is of field origin, since it appears as an effective force space due to the action of a gravitational field on matter. The RTG leads to an exceptionally strong prediction: The universe is not closed but just ''flat.'' This suggests that in the universe a ''missing mass'' should exist in a form of matter

  20. Relativistic theory of gravitation

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvilli, M.A.

    1985-01-01

    In the present paper a relativistic theory of gravitation (RTG) is constructed in a unique way on the basis of the special relativity and geometrization principle. In this, a gravitational field is treated as the Faraday-Maxwell spin-2 and spin-0 physical field possessing energy and momentum. The source of a gravitational field is the total conserved energy-momentum tensor of matter and of a gravitational field in Minkowski space. In the RTG, the conservation laws are strictly fulfilled for the energy-momentum and for the angular momentum of matter and a gravitational field. The theory explains the whole available set of experiments on gravitation. In virtue of the geometrization principle, the Riemannian space in our theory is of field origin, since it appears as an effective force space due to the action of a gravitational field on matter. The RTg leads to an exceptionally strong prediction: The Universe is not closed but just ''flat''. This suggests that in the Universe a ''hidden mass'' should exist in some form of matter

  1. Relativistic gravitation theory

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1984-01-01

    On the basis of the special relativity and geometrization principle a relativistic gravitation theory (RGT) is unambiguously constructed with the help of a notion of a gravitational field as a physical field in Faraday-Maxwell spirit, which posesses energy momentum and spins 2 and 0. The source of gravitation field is a total conserved energy-momentum tensor for matter and for gravitation field in Minkowski space. In the RGT conservation laws for the energy momentum and angular momentum of matter and gravitational field hold rigorously. The theory explains the whole set of gravitation experiments. Here, due to the geometrization principle the Riemannian space is of a field origin since this space arises effectively as a result of the gravitation field origin since this space arises effectively as a result of the gravitation field action on the matter. The RGT astonishing prediction is that the Universe is not closed but ''flat''. It means that in the Universe there should exist a ''missing'' mass in some form of matter

  2. Relativistic Band Calculation and the Optical Properties of Gold

    DEFF Research Database (Denmark)

    Christensen, N Egede; Seraphin, B. O.

    1971-01-01

    of magnitude as the gaps (approximately 1 eV). Various integrated functions, density of states, joint density of states, and energy distributions of joint density of states are derived from the RAPW calculation. These functions are used in an interpretation of photoemission and static reflectance measurements......The energy band structure of gold is calculated by the relativistic augmented-plane-wave (RAPW) method. A nonrelativistic calculation is also presented, and a comparison between this and the RAPW results demonstrates that the shifts and splittings due to relativistic effects are of the same order...... to trace out the regions in k→ space where the edge and tail transitions occur. It is demonstrated that structure in the static reflection curves are not related to critical points in the band structure. The arguments are supported by calculations of temperature shifts of the critical-point energies...

  3. Collision strengths from ground levels of Ti XIII using relativistic-Breit-Pauli approximation

    International Nuclear Information System (INIS)

    Mohan, M.; Hibbert, H.; Burke, P.G.; Keenan, F.

    1998-09-01

    The R-matrix method is used to calculate collision strengths from ground state to the first twenty-six fine structure levels of neon-like titanium by including the relativistic term coupling coefficients in the semi-Breit-Pauli approximation. Configuration interaction wave-functions are used to represent the first fifteen lowest LS-coupled target states in the R-matrix expansion. Results obtained are compared with other calculations. This is the first detailed calculation on this ion in which relativistic, exchange, channel couplings and short-range correlation effects are taken into account. (author)

  4. Relativistic positioning systems: perspectives and prospects

    Science.gov (United States)

    Coll Bartolomé

    2013-11-01

    Relativistic positioning systems are interesting technical objects for applications around the Earth and in the Solar system. But above all else, they are basic scientific objects allowing developing relativity from its own concepts. Some past and future features of relativistic positioning sys- tems, with special attention to the developments that they suggest for an epistemic relativity (relativistic experimental approach to physics), are analyzed. This includes relativistic stereometry, which, together with relativistic positioning systems, allows to introduce the general relativistic notion of (finite) laboratory (space-time region able to perform experiments of finite size).

  5. OPE convergence in non-relativistic conformal field theories

    Energy Technology Data Exchange (ETDEWEB)

    Goldberger, Walter D.; Khandker, Zuhair University; Prabhu, Siddharth [Department of Physics, Yale University,New Haven, CT 06511 (United States); Physics Department, Boston University,Boston, MA 02215 (United States)

    2015-12-09

    Motivated by applications to the study of ultracold atomic gases near the unitarity limit, we investigate the structure of the operator product expansion (OPE) in non-relativistic conformal field theories (NRCFTs). The main tool used in our analysis is the representation theory of charged (i.e. non-zero particle number) operators in the NRCFT, in particular the mapping between operators and states in a non-relativistic “radial quantization” Hilbert space. Our results include: a determination of the OPE coefficients of descendant operators in terms of those of the underlying primary state, a demonstration of convergence of the (imaginary time) OPE in certain kinematic limits, and an estimate of the decay rate of the OPE tail inside matrix elements which, as in relativistic CFTs, depends exponentially on operator dimensions. To illustrate our results we consider several examples, including a strongly interacting field theory of bosons tuned to the unitarity limit, as well as a class of holographic models. Given the similarity with known statements about the OPE in SO(2,d) invariant field theories, our results suggest the existence of a bootstrap approach to constraining NRCFTs, with applications to bound state spectra and interactions. We briefly comment on a possible implementation of this non-relativistic conformal bootstrap program.

  6. Radiatively driven relativistic spherical winds under relativistic radiative transfer

    Science.gov (United States)

    Fukue, J.

    2018-05-01

    We numerically investigate radiatively driven relativistic spherical winds from the central luminous object with mass M and luminosity L* under Newtonian gravity, special relativity, and relativistic radiative transfer. We solve both the relativistic radiative transfer equation and the relativistic hydrodynamical equations for spherically symmetric flows under the double-iteration processes, to obtain the intensity and velocity fields simultaneously. We found that the momentum-driven winds with scattering are quickly accelerated near the central object to reach the terminal speed. The results of numerical solutions are roughly fitted by a relation of \\dot{m}=0.7(Γ _*-1)\\tau _* β _* β _out^{-2.6}, where \\dot{m} is the mass-loss rate normalized by the critical one, Γ* the central luminosity normalized by the critical one, τ* the typical optical depth, β* the initial flow speed at the central core of radius R*, and βout the terminal speed normalized by the speed of light. This relation is close to the non-relativistic analytical solution, \\dot{m} = 2(Γ _*-1)\\tau _* β _* β _out^{-2}, which can be re-expressed as β _out^2/2 = (Γ _*-1)GM/c^2 R_*. That is, the present solution with small optical depth is similar to that of the radiatively driven free outflow. Furthermore, we found that the normalized luminosity (Eddington parameter) must be larger than unity for the relativistic spherical wind to blow off with intermediate or small optical depth, i.e. Γ _* ≳ \\sqrt{(1+β _out)^3/(1-β _out)}. We briefly investigate and discuss an isothermal wind.

  7. Scattering in relativistic particle mechanics

    International Nuclear Information System (INIS)

    De Bievre, S.

    1986-01-01

    The problem of direct interaction in relativistic particle mechanics has been extensively studied and a variety of models has been proposed avoiding the conclusions of the so-called no-interaction theorems. In this thesis the authors studied scattering in the relativistic two-body problem. He uses the results to analyze gauge invariance in Hamiltonian constraint models and the uniqueness of the symplectic structure in manifestly covariant relativistic particle mechanics. A general geometric framework that underlies approaches to relativistic particle mechanics is presented and the kinematic properties of the scattering transformation, i.e., those properties that arise solely from the invariance of the theory under the Poincare group are studied. The second part of the analysis of the relativistic two-body scattering problem is devoted to the dynamical properties of the scattering process. Using general geometric arguments, gauge invariance of the scattering transformation in the Todorov-Komar Hamiltonian constraint model is proved. Finally, quantization of the models is discussed

  8. Long-term culture of rat hippocampal neurons at low density in serum-free medium: combination of the sandwich culture technique with the three-dimensional nanofibrous hydrogel PuraMatrix.

    Science.gov (United States)

    Kaneko, Ai; Sankai, Yoshiyuki

    2014-01-01

    The primary culture of neuronal cells plays an important role in neuroscience. There has long been a need for methods enabling the long-term culture of primary neurons at low density, in defined serum-free medium. However, the lower the cell density, the more difficult it is to maintain the cells in culture. Therefore, we aimed to develop a method for long-term culture of neurons at low density, in serum-free medium, without the need for a glial feeder layer. Here, we describe the work leading to our determination of a protocol for long-term (>2 months) primary culture of rat hippocampal neurons in serum-free medium at the low density of 3×10(4) cells/mL (8.9×10(3) cells/cm2) without a glial feeder layer. Neurons were cultured on a three-dimensional nanofibrous hydrogel, PuraMatrix, and sandwiched under a coverslip to reproduce the in vivo environment, including the three-dimensional extracellular matrix, low-oxygen conditions, and exposure to concentrated paracrine factors. We examined the effects of varying PuraMatrix concentrations, the timing and presence or absence of a coverslip, the timing of neuronal isolation from embryos, cell density at plating, medium components, and changing the medium or not on parameters such as developmental pattern, cell viability, neuronal ratio, and neurite length. Using our method of combining the sandwich culture technique with PuraMatrix in Neurobasal medium/B27/L-glutamine for primary neuron culture, we achieved longer neurites (≥3,000 µm), greater cell viability (≥30%) for 2 months, and uniform culture across the wells. We also achieved an average neuronal ratio of 97%, showing a nearly pure culture of neurons without astrocytes. Our method is considerably better than techniques for the primary culture of neurons, and eliminates the need for a glial feeder layer. It also exhibits continued support for axonal elongation and synaptic activity for long periods (>6 weeks).

  9. Long-term culture of rat hippocampal neurons at low density in serum-free medium: combination of the sandwich culture technique with the three-dimensional nanofibrous hydrogel PuraMatrix.

    Directory of Open Access Journals (Sweden)

    Ai Kaneko

    Full Text Available The primary culture of neuronal cells plays an important role in neuroscience. There has long been a need for methods enabling the long-term culture of primary neurons at low density, in defined serum-free medium. However, the lower the cell density, the more difficult it is to maintain the cells in culture. Therefore, we aimed to develop a method for long-term culture of neurons at low density, in serum-free medium, without the need for a glial feeder layer. Here, we describe the work leading to our determination of a protocol for long-term (>2 months primary culture of rat hippocampal neurons in serum-free medium at the low density of 3×10(4 cells/mL (8.9×10(3 cells/cm2 without a glial feeder layer. Neurons were cultured on a three-dimensional nanofibrous hydrogel, PuraMatrix, and sandwiched under a coverslip to reproduce the in vivo environment, including the three-dimensional extracellular matrix, low-oxygen conditions, and exposure to concentrated paracrine factors. We examined the effects of varying PuraMatrix concentrations, the timing and presence or absence of a coverslip, the timing of neuronal isolation from embryos, cell density at plating, medium components, and changing the medium or not on parameters such as developmental pattern, cell viability, neuronal ratio, and neurite length. Using our method of combining the sandwich culture technique with PuraMatrix in Neurobasal medium/B27/L-glutamine for primary neuron culture, we achieved longer neurites (≥3,000 µm, greater cell viability (≥30% for 2 months, and uniform culture across the wells. We also achieved an average neuronal ratio of 97%, showing a nearly pure culture of neurons without astrocytes. Our method is considerably better than techniques for the primary culture of neurons, and eliminates the need for a glial feeder layer. It also exhibits continued support for axonal elongation and synaptic activity for long periods (>6 weeks.

  10. Chameleon scalar fields in relativistic gravitational backgrounds

    International Nuclear Information System (INIS)

    Tsujikawa, Shinji; Tamaki, Takashi; Tavakol, Reza

    2009-01-01

    We study the field profile of a scalar field φ that couples to a matter fluid (dubbed a chameleon field) in the relativistic gravitational background of a spherically symmetric spacetime. Employing a linear expansion in terms of the gravitational potential Φ c at the surface of a compact object with a constant density, we derive the thin-shell field profile both inside and outside the object, as well as the resulting effective coupling with matter, analytically. We also carry out numerical simulations for the class of inverse power-law potentials V(φ) = M 4+n φ −n by employing the information provided by our analytical solutions to set the boundary conditions around the centre of the object and show that thin-shell solutions in fact exist if the gravitational potential Φ c is smaller than 0.3, which marginally covers the case of neutron stars. Thus the chameleon mechanism is present in the relativistic gravitational backgrounds, capable of reducing the effective coupling. Since thin-shell solutions are sensitive to the choice of boundary conditions, our analytic field profile is very helpful to provide appropriate boundary conditions for Φ c ∼< O(0.1)

  11. Chameleon scalar fields in relativistic gravitational backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Tsujikawa, Shinji [Department of Physics, Faculty of Science, Tokyo University of Science, 1-3, Kagurazaka, Shinjuku-ku, Tokyo 162-8601 (Japan); Tamaki, Takashi [Department of Physics, Waseda University, Okubo 3-4-1, Tokyo 169-8555 (Japan); Tavakol, Reza, E-mail: shinji@rs.kagu.tus.ac.jp, E-mail: tamaki@gravity.phys.waseda.ac.jp, E-mail: r.tavakol@qmul.ac.uk [Astronomy Unit, School of Mathematical Sciences, Queen Mary University of London, London E1 4NS (United Kingdom)

    2009-05-15

    We study the field profile of a scalar field {phi} that couples to a matter fluid (dubbed a chameleon field) in the relativistic gravitational background of a spherically symmetric spacetime. Employing a linear expansion in terms of the gravitational potential {Phi}{sub c} at the surface of a compact object with a constant density, we derive the thin-shell field profile both inside and outside the object, as well as the resulting effective coupling with matter, analytically. We also carry out numerical simulations for the class of inverse power-law potentials V({phi}) = M{sup 4+n}{phi}{sup -n} by employing the information provided by our analytical solutions to set the boundary conditions around the centre of the object and show that thin-shell solutions in fact exist if the gravitational potential {Phi}{sub c} is smaller than 0.3, which marginally covers the case of neutron stars. Thus the chameleon mechanism is present in the relativistic gravitational backgrounds, capable of reducing the effective coupling. Since thin-shell solutions are sensitive to the choice of boundary conditions, our analytic field profile is very helpful to provide appropriate boundary conditions for {Phi}{sub c}{approx}

  12. Instability of extremal relativistic charged spheres

    International Nuclear Information System (INIS)

    Anninos, Peter; Rothman, Tony

    2002-01-01

    With the question 'Can relativistic charged spheres form extremal black holes?' in mind, we investigate the properties of such spheres from a classical point of view. The investigation is carried out numerically by integrating the Oppenheimer-Volkov equation for relativistic charged fluid spheres and finding interior Reissner-Nordstroem solutions for these objects. We consider both constant density and adiabatic equations of state, as well as several possible charge distributions, and examine stability by both a normal mode and an energy analysis. In all cases, the stability limit for these spheres lies between the extremal (Q=M) limit and the black hole limit (R=R + ). That is, we find that charged spheres undergo gravitational collapse before they reach Q=M, suggesting that extremal Reissner-Nordstroem black holes produced by collapse are ruled out. A general proof of this statement would support a strong form of the cosmic censorship hypothesis, excluding not only stable naked singularities, but stable extremal black holes. The numerical results also indicate that although the interior mass-energy m(R) obeys the usual m/R + as Q→M. In the Appendix we also argue that Hawking radiation will not lead to an extremal Reissner-Nordstroem black hole. All our results are consistent with the third law of black hole dynamics, as currently understood

  13. Relativistic quantum vorticity of the quadratic form of the Dirac equation

    International Nuclear Information System (INIS)

    Asenjo, Felipe A; Mahajan, Swadesh M

    2015-01-01

    We explore the fluid version of the quadratic form of the Dirac equation, sometimes called the Feynman–Gell-Mann equation. The dynamics of the quantum spinor field is represented by equations of motion for the fluid density, the velocity field, and the spin field. In analogy with classical relativistic and non-relativistic quantum theories, the fully relativistic fluid formulation of this equation allows a vortex dynamics. The vortical form is described by a total tensor field that is the weighted combination of the inertial, electromagnetic and quantum forces. The dynamics contrives the quadratic form of the Dirac equation as a total vorticity free system. (paper)

  14. Collective scattering of electromagnetic waves from a relativistic magnetized plasma

    International Nuclear Information System (INIS)

    Lu Quankang

    1998-01-01

    Recently, laser and microwave scattering has become one of the important diagnostic means for plasma. Laser and microwave correlative scattering spectrum is determined by particle-density fluctuations in a weak turbulent plasma. In a relativistic plasma, on the basis of complete electromagnetic-interaction between particles, a general expression for particle density fluctuations and spectrums of laser and microwave scattering from a magnetized plasma are derived. The laser and microwave scattering spectrums provide informations on electron density and temperature, ion temperature, resonance and nonresonance effects. (author)

  15. Age-dependence of power spectral density and fractal dimension of bone mineralized matrix in atomic force microscope topography images: potential correlates of bone tissue age and bone fragility in female femoral neck trabeculae.

    Science.gov (United States)

    Milovanovic, Petar; Djuric, Marija; Rakocevic, Zlatko

    2012-11-01

    There is an increasing interest in bone nano-structure, the ultimate goal being to reveal the basis of age-related bone fragility. In this study, power spectral density (PSD) data and fractal dimensions of the mineralized bone matrix were extracted from atomic force microscope topography images of the femoral neck trabeculae. The aim was to evaluate age-dependent differences in the mineralized matrix of human bone and to consider whether these advanced nano-descriptors might be linked to decreased bone remodeling observed by some authors and age-related decline in bone mechanical competence. The investigated bone specimens belonged to a group of young adult women (n = 5, age: 20-40 years) and a group of elderly women (n = 5, age: 70-95 years) without bone diseases. PSD graphs showed the roughness density distribution in relation to spatial frequency. In all cases, there was a fairly linear decrease in magnitude of the power spectra with increasing spatial frequencies. The PSD slope was steeper in elderly individuals (-2.374 vs. -2.066), suggesting the dominance of larger surface morphological features. Fractal dimension of the mineralized bone matrix showed a significant negative trend with advanced age, declining from 2.467 in young individuals to 2.313 in the elderly (r = 0.65, P = 0.04). Higher fractal dimension in young women reflects domination of smaller mineral grains, which is compatible with the more freshly remodeled structure. In contrast, the surface patterns in elderly individuals were indicative of older tissue age. Lower roughness and reduced structural complexity (decreased fractal dimension) of the interfibrillar bone matrix in the elderly suggest a decline in bone toughness, which explains why aged bone is more brittle and prone to fractures. © 2012 The Authors Journal of Anatomy © 2012 Anatomical Society.

  16. SPECIAL RELATIVISTIC HYDRODYNAMICS WITH GRAVITATION

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Jai-chan [Department of Astronomy and Atmospheric Sciences, Kyungpook National University, Daegu (Korea, Republic of); Noh, Hyerim [Korea Astronomy and Space Science Institute, Daejon (Korea, Republic of)

    2016-12-20

    Special relativistic hydrodynamics with weak gravity has hitherto been unknown in the literature. Whether such an asymmetric combination is possible has been unclear. Here, the hydrodynamic equations with Poisson-type gravity, considering fully relativistic velocity and pressure under the weak gravity and the action-at-a-distance limit, are consistently derived from Einstein’s theory of general relativity. An analysis is made in the maximal slicing, where the Poisson’s equation becomes much simpler than our previous study in the zero-shear gauge. Also presented is the hydrodynamic equations in the first post-Newtonian approximation, now under the general hypersurface condition. Our formulation includes the anisotropic stress.

  17. Methods in relativistic nuclear physics

    International Nuclear Information System (INIS)

    Danos, M.; Gillet, V.; Cauvin, M.

    1984-01-01

    This book is intended to provide the methods and tools for performing actual calculations for finite many-body systems of bound relativistic constituent particles. The aim is to cover thoroughly the methodological aspects of the relativistic many-body problem for bound states while avoiding the presentation of specific models. The many examples contained in the later part of the work are meant to give concrete illustrations of how to actually apply the methods which are given in the first part. The basic framework of the approach is the lagrangian field theory solved in the time-independent Schroedinger picture. (Auth.)

  18. Frontiers in relativistic celestial mechanics

    CERN Document Server

    2014-01-01

    Relativistic celestial mechanics – investigating the motion celestial bodies under the influence of general relativity – is a major tool of modern experimental gravitational physics. With a wide range of prominent authors from the field, this two-volume series consists of reviews on a multitude of advanced topics in the area of relativistic celestial mechanics – starting from more classical topics such as the regime of asymptotically-flat spacetime, light propagation and celestial ephemerides, but also including its role in cosmology and alternative theories of gravity as well as modern experiments in this area.

  19. Relativistic description of nuclear systems in the Hartree-Fock approximation

    International Nuclear Information System (INIS)

    Bouyssy, A.; Mathiot, J.F.; Nguyen Van Giai; Marcos, S.

    1986-03-01

    The structure of infinite nuclear matter and finite nuclei is studied in the framework of the relativistic Hartree-Fock approximation. A particular attention is paid to the contribution of isovector mesons. (π,p). A satisfactory description of binding energies and densities can be obtained for light as well as heavy nuclei. The spin-orbit splittings are well reproduced. Connections with non-relativistic formulations are also discussed

  20. A new cross-effect in local relativistic thermodynamics of irreversible processes

    International Nuclear Information System (INIS)

    Gariel, J.

    1981-01-01

    It is shown that the supplementary term qsup(α)usub(α) which appears in the caloric conducting fluid Eckart's theory (where qsup(α) is the derivative by the curvilinear absciss of the calorific conduction density and usub(α) the local unitary speed) states a thermodynamics construction problem. We can solve this one by admitting the existence of a new relativistic 'thermokinetic' cross-effect, which leads to the relativistic Fourier's hypothesis of Pham Mau Quan [fr