Intermediate coupling collision strengths from LS coupled R-matrix elements

International Nuclear Information System (INIS)

Clark, R.E.H.

1978-01-01

Fine structure collision strength for transitions between two groups of states in intermediate coupling and with inclusion of configuration mixing are obtained from LS coupled reactance matrix elements (R-matrix elements) and a set of mixing coefficients. The LS coupled R-matrix elements are transformed to pair coupling using Wigner 6-j coefficients. From these pair coupled R-matrix elements together with a set of mixing coefficients, R-matrix elements are obtained which include the intermediate coupling and configuration mixing effects. Finally, from the latter R-matrix elements, collision strengths for fine structure transitions are computed (with inclusion of both intermediate coupling and configuration mixing). (Auth.)

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.

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

Rovibrational matrix elements of the multipole moments

Indian Academy of Sciences (India)

Rovibrational matrix elements of the multipole moments ℓ up to rank 10 and of the linear polarizability of the H2 molecule in the condensed phase have been computed taking into account the effect of the intermolecular potential. Comparison with gas phase matrix elements shows that the effect of solid state interactions is ...

Coulomb matrix elements in multi-orbital Hubbard models.

Science.gov (United States)

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Experimental determination of the real elements of the density matrix of H(n=3) atoms produced in 20--100-keV collisions of H+ on Kr

International Nuclear Information System (INIS)

Seifert, N.; Gibson, N.D.; Risley, J.S.

1995-01-01

In continuation of our previous work, charge transfer processes occurring in protons on rare-gas-atom collisions have been investigated. Diagonal and real off-diagonal coherence elements of the density matrix for H(n=3) atoms produced in 20--100-keV electron-capture collisions with Kr atoms are experimentally determined by analyzing the Balmer-α light from the decay of H atoms from the (n=3) state to the (n=2) state. The intensity and polarization of the emitted light are measured as functions of an axially symmetric electric field in the collision region. These data are fitted to a numerical model of the H atom in an electric field in order to extract density-matrix elements. The results are compared to previous studies of H + on He and Ar. The collisionally produced dipole moment of the H(n=3) atom decreases for increasing atomic number of the rare-gas target atoms, which indicates that the final phase of the collision process is not essential for the formation of the dipole moment. This physical picture is further supported by our alignment data. Absolute cross sections for charge transfer to the 3s, 3p, and 3d levels are presented as well

S-matrix elements from T-duality

International Nuclear Information System (INIS)

Babaei Velni, Komeil; Garousi, Mohammad R.

2013-01-01

Recently it has been speculated that the S-matrix elements satisfy the Ward identity associated with the T-duality. This indicates that a group of S-matrix elements is invariant under the linear T-duality transformations on the external states. If one evaluates one component of such T-dual multiplet, then all other components may be found by the simple use of the linear T-duality. The assumption that fields must be independent of the Killing coordinate, however, may cause, in some cases, the T-dual multiplet not to be gauge invariant. In those cases, the S-matrix elements contain more than one T-dual multiplet which are intertwined by the gauge symmetry. In this paper, we apply the T-dual Ward identity on the S-matrix element of one RR (p−3)-form and two NSNS states on the world volume of a D p -brane to find its corresponding T-dual multiplet. In the case that the RR potential has two transverse indices, the T-dual multiplet is gauge invariant, however, in the case that it has one transverse index the multiplet is not gauge invariant. We find a new T-dual multiplet in this case by imposing the gauge symmetry. We show that the multiplets are reproduced by explicit calculation, and their low energy contact terms at order α ′2 are consistent with the existing couplings in the literature

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

Lattice results for heavy light matrix elements

International Nuclear Information System (INIS)

Soni, A.

1994-09-01

Lattice results for heavy light matrix elements are reviewed and some of their implications are very briefly discussed. Despite the fact that in most cases the lattice results for weak matrix elements at the moment have only a modest accuracy of about 20--30% they already have important phenomenological repercussions; e.g. for V td /V ts , x s /x d and B → K*γ

Elements of matrix modeling and computing with Matlab

CERN Document Server

White, Robert E

2006-01-01

As discrete models and computing have become more common, there is a need to study matrix computation and numerical linear algebra. Encompassing a diverse mathematical core, Elements of Matrix Modeling and Computing with MATLAB examines a variety of applications and their modeling processes, showing you how to develop matrix models and solve algebraic systems. Emphasizing practical skills, it creates a bridge from problems with two and three variables to more realistic problems that have additional variables. Elements of Matrix Modeling and Computing with MATLAB focuses on seven basic applicat

Electromagnetic matrix elements in baryons

International Nuclear Information System (INIS)

Lipkin, H.J.; Moinester, M.A.

1992-01-01

Some simple symmetry relations between matrix elements of electromagnetic operators are investigated. The implications are discussed for experiments to study hyperon radiative transitions and polarizabilities and form factors. (orig.)

Matrix Elements in Fermion Dynamical Symmetry Model

Institute of Scientific and Technical Information of China (English)

LIU Guang-Zhou; LIU Wei

2002-01-01

In a neutron-proton system, the matrix elements of the generators for SO(8) × SO(8) symmetry areconstructed explicitly, and with these matrix elements the low-lying excitation spectra obtained by diagonalization arepresented. The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe, Ba, andCe isotopes are calculated, and comparison with the experimental results is carried out.

Matrix Elements in Fermion Dynamical Symmetry Model

Institute of Scientific and Technical Information of China (English)

LIUGuang－Zhou; LIUWei

2002-01-01

In a neutron-proton system,the matrix elements of the generators for SO(8)×SO(8) symmetry are constructed exp;icitly,and with these matrix elements the low-lying excitation spsectra obtained by diagonalization are presented.The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe,Ba,and Ce isotopes are calculated,and comparison with the experimental results is carried out.

Direct calculation of off-diagonal matrix elements

International Nuclear Information System (INIS)

Killingbeck, J P; Jolicard, G

2011-01-01

Gauss elimination is used in a sequence of calculations which give the squares of the off-diagonal matrix elements of x between quartic oscillator eigenstates, in a modification of the original sum rule approach of Tipping et al to the problem. New and more flexible methods are then devised and tested and are shown to permit the isolation and calculation of individual squared matrix elements of x and x 2 .

Renormalon ambiguities in NRQCD operator matrix elements

International Nuclear Information System (INIS)

Bodwin, G.T.; Chen, Y.

1999-01-01

We analyze the renormalon ambiguities that appear in factorization formulas in QCD. Our analysis contains a simple argument that the ambiguities in the short-distance coefficients and operator matrix elements are artifacts of dimensional-regularization factorization schemes and are absent in cutoff schemes. We also present a method for computing the renormalon ambiguities in operator matrix elements and apply it to a computation of the ambiguities in the matrix elements that appear in the NRQCD factorization formulas for the annihilation decays of S-wave quarkonia. Our results, combined with those of Braaten and Chen for the short-distance coefficients, provide an explicit demonstration that the ambiguities cancel in the physical decay rates. In addition, we analyze the renormalon ambiguities in the Gremm-Kapustin relation and in various definitions of the heavy-quark mass. copyright 1999 The American Physical Society

Analysis of K/sup -/K/sup +/ and. pi. /sup -/. pi. /sup +/ final states in 13 GeV K/sup -/p interactions. [Differential cross sections, density matrix elements, branching ratio

Energy Technology Data Exchange (ETDEWEB)

Brandenburg, G W; Carnegie, R K; Cashmore, R J; Davier, M; Lasinski, T A; Leith, D W.G.S.; Mathews, J A.J.; Walden, P; Williams, S H [Stanford Linear Accelerator Center, Calif. (USA)

1976-03-01

The differential cross sections and density matrix elements for the phi and rho/sup 0/ mesons have been measured in the reactions K/sup -/p..-->..K/sup -/K/sup +/(..lambda..,..sigma../sup 0/) and K/sup -/p..--> pi../sup -/..pi../sup +/(..lambda..,..sigma../sup 0/) at 13 GeV using a wire chamber spectrometer. The analysis shows that while the vector meson production is dominated by the natural parity exchange amplitude, some unnatural parity exchange is also required. Furthermore the phi and rho natural exchange cross sections are identical in shape and have the 2:1 relative strength expected in the quark model with K* and K** exchange degeneracy. The analysis of the clear peak-dip rho/sup 0/-..omega.. interference pattern observed in the ..pi../sup -/..pi../sup +/ data indicates that the ..omega.. production is in phase with the rho and of similar magnitude. Both the S* and f' meson are clearly observed in this experiment. The S* data are found to be consistent with S* parameters deduced from ..pi pi.. scattering analyses. The f' density matrix elements and a new limit on the f'..--> pi../sup -/..pi../sup +/ branching ratio are presented.

An Explicit Consistent Geometric Stiffness Matrix for the DKT Element

Directory of Open Access Journals (Sweden)

Eliseu Lucena Neto

Full Text Available Abstract A large number of references dealing with the geometric stiffness matrix of the DKT finite element exist in the literature, where nearly all of them adopt an inconsistent form. While such a matrix may be part of the element to treat nonlinear problems in general, it is of crucial importance for linearized buckling analysis. The present work seems to be the first to obtain an explicit expression for this matrix in a consistent way. Numerical results on linear buckling of plates assess the element performance either with the proposed explicit consistent matrix, or with the most commonly used inconsistent matrix.

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)

Milling Behavior of Matrix Graphite Powders with Different Binder Materials in HTGR Fuel Element Fabrication: I. Variation in Particle Size Distribution

International Nuclear Information System (INIS)

Lee, Young Woo; Cho, Moon Sung

2011-01-01

The fuel element for HTGR is manufactured by mixing coated fuel particles with matrix graphite powder and forming into either pebble type or cylindrical type compacts depending on their use in different HTGR cores. The coated fuel particle, the so-called TRISO particle, consists of 500-μm spherical UO 2 particles coated with the low density buffer Pyrolytic Carbon (PyC) layer, the inner and outer high density PyC layer and SiC layer sandwiched between the two inner and outer PyC layers. The coated TRISO particles are mixed with a matrix graphite powder properly prepared and pressed into a spherical shape or a cylindrical compact finally heat-treated at about 1900 .deg. C. These fuel elements can have different sizes and forms of compact. The basic steps for manufacturing a fuel element include preparation of graphite matrix powder, overcoating the fuel particles, mixing the fuel particles with a matrix powder, carbonizing green compact, and the final high-temperature heat treatment of the carbonized fuel compact. In order to develop a fuel compact fabrication technology, it is important to develop a technology to prepare the matrix graphite powder (MGP) with proper characteristics, which has a strong influence on further steps and the material properties of fuel element. In this work, the milling behavior of matrix graphite powder mixture with different binder materials and their contents was investigated by analyzing the change in particle size distribution with different milling time

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

Effect of the Heat Treatment on the Graphite Matrix of Fuel Element for HTGR

International Nuclear Information System (INIS)

Lee, Chungyong; Lee, Seungjae; Suh, Jungmin; Jo, Youngho; Lee, Youngwoo; Cho, Moonsung

2013-01-01

In this paper, the cylinder-formed fuel element for the block type reactor is focused on, which consists of the large part of graphite matrix. One of the most important properties of the graphite matrix is the mechanical strength for the high reliability because the graphite matrix should be enabled to protect the TRISO particles from the irradiation environment and the impact from the outside. In this study, the three kinds of candidate graphites and Phenol as a binder were chosen and mixed with each other, formed and heated for the compressive strength test. The objective of this research is to optimize the kinds and composition of the mixed graphite and the forming process by evaluating the compressive strength before/after heat treatment (carbonization of binder). In this study, the effect of heat treatment on graphite matrix was studied in terms of the density and the compressive strength. The size (diameter and length) of pellet is increased by heat treatment. Due to additional weight reduction and swelling (length and diameter) of samples the density of graphite pellet is decreased from about 2.0 to about 1.7g/cm 3 . From the mechanical test results, the compressive strength of graphite pellets was related to the various conditions such as the contents of binder, the kinds of graphite and the heat treatment. Both the green pellet and the heat treated pellet, the compressive strength of G+S+P pellets is relatively higher than that of R+S+P pellets. To optimize fuel element matrix, the effect of Phenol and other binders, graphite composition and the heat treatment on the mechanical properties will be deeply investigated for further study

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

Dimensional Behavior of Matrix Graphite Compacts during Heat Treatments for HTGR Fuel Element Fabrication

International Nuclear Information System (INIS)

Lee, Young-Woo; Yeo, Seunghwan; Cho, Moon Sung

2015-01-01

The carbonization is a process step where the binder that is incorporated during the matrix graphite powder preparation step is evaporated and the residue of the binder is carbonized during the heat treatment at about 1073 K. This carbonization step is followed by the final high temperature heat treatment where the carbonized compacts are heat treated at 2073-2173 K in vacuum for a relatively short time (about 2 hrs). In order to develop a fuel compact fabrication technology, and for fuel matrix graphite to meet the required material properties, it is essential to investigate the relationship among the process parameters of the matrix graphite powder preparation, the fabrication parameters of fuel element green compact and the heat treatments conditions, which has a strong influence on the further steps and the material properties of fuel element. In this work, the dimensional changes of green compacts during the carbonization and final heat treatment are evaluated when compacts have different densities from different pressing conditions and different final heat treatment temperatures are employed, keeping other process parameters constant, such as the binder content, carbonization time, temperature and atmosphere (two hours ant 1073K and N2 atmosphere). In this work, the dimensional variations of green compacts during the carbonization and final heat treatment are evaluated when compacts have different densities from different pressing conditions and different final heat treatment temperatures are employed

Theory of the particle matrix elements for Helium atom scattering in surfaces

International Nuclear Information System (INIS)

Khater, A.; Toennies, J.P.

2000-01-01

Full text.A brief review is presented for the recent development of the theory of the particle transition matrix elements, basic to the cross section for Helium and inert particle scattering at thermal energies in solid surfaces. the Jackson and Mott matrix elements are presented and discussed for surface scattering processes, habitually classified as elastic and inelastic. Modified transition matrix elements, introduced originally to account for the cut-off effects, are presented in a direct and simple manner. the Debye-Waller factor is introduced and discussed. A recent calculation for the particle transition matrix elements is presented for the specular and inelastic transition matrix elements and the corresponding inelastic scattering cross section is compared in detail to experimental data. the specular and inelastic transition matrix elements are found to be intrinsically similar owing to the intermediate role of a proposed virtual particle squeezed state near the surface

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.)

Weak matrix elements on the lattice - Circa 1995

International Nuclear Information System (INIS)

Soni, A.

1995-01-01

Status of weak matrix elements is reviewed. In particular, e'/e, B → K*γ, B B and B B , are discussed and the overall situation with respect to the lattice effort and some of its phenomenological implications are summarised. For e'/e the need for the relevant matrix elements is stressed in view of the forthcoming improved experiments. For some of the operators, (e.g. O 6 ), even bound on their matrix elements would be very helpful. On B → K degrees γ, a constant behavior of T 2 appears disfavored although dependence of T 2 could, of course, be milder than a simple pole. Improved data is badly needed to settle this important issue firmly, especially in view of its ramification for extractions of V td from B → ργ. On B κ , the preliminary result from JLQCD appears to contradict Sharpe et al. JLQCD data seems to fit very well to linear α dependence and leads to an appreciably lower value of B κ . Four studies of B κ in the open-quotes fullclose quotes (n f = 2) theory indicate very little quenching effects on B κ ; the full theory value seems to be just a little less than the quenched result. Based on expectations from HQET, analysis of B-parameter (B h ell) for the heavy-light mesons via B h ell) = constant + constants'/m h ell is suggested. A summary of an illustrative sample of hadron matrix elements is given and constraints on CKM parameters (e.g. V td /V ts , on the unitarity triangle and on x s /x d , emerging from the lattice calculations along with experimental results are briefly discussed. In quite a few cases, for the first time, some indication of quenching errors on weak matrix elements are now becoming available

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.

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.

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.

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.

Rotational covariance and light-front current matrix elements

International Nuclear Information System (INIS)

Keister, B.D.

1994-01-01

Light-front current matrix elements for elastic scattering from hadrons with spin 1 or greater must satisfy a nontrivial constraint associated with the requirement of rotational covariance for the current operator. Using a model ρ meson as a prototype for hadronic quark models, this constraint and its implications are studied at both low and high momentum transfers. In the kinematic region appropriate for asymptotic QCD, helicity rules, together with the rotational covariance condition, yield an additional relation between the light-front current matrix elements

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 +/''.

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.

Matrix elements of a hyperbolic vector operator under SO(2,1)

International Nuclear Information System (INIS)

Zettili, N.; Boukahil, A.

2003-01-01

We deal here with the use of Wigner–Eckart type arguments to calculate the matrix elements of a hyperbolic vector operator V-vector by expressing them in terms of reduced matrix elements. In particular, we focus on calculating the matrix elements of this vector operator within the basis of the hyperbolic angular momentum T-vector whose components T-vector 1 , T-vector 2 , T-vector 3 satisfy an SO(2,1) Lie algebra. We show that the commutation rules between the components of V-vector and T-vector can be inferred from the algebra of ordinary angular momentum. We then show that, by analogy to the Wigner–Eckart theorem, we can calculate the matrix elements of V-vector within a representation where T-vector 2 and T-vector 3 are jointly diagonal. (author)

Comparison between phase shift derived and exactly calculated nucleon--nucleon interaction matrix elements

International Nuclear Information System (INIS)

Gregersen, A.W.

1977-01-01

A comparison is made between matrix elements calculated using the uncoupled channel Sussex approach to second order in DWBA and matrix elements calculated using a square well potential. The square well potential illustrated the problem of the determining parameter independence balanced with the concept of phase shift difference. The super-soft core potential was used to discuss the systematics of the Sussex approach as a function of angular momentum as well as the relation between Sussex generated and effective interaction matrix elements. In the uncoupled channels the original Sussex method of extracting effective interaction matrix elements was found to be satisfactory. In the coupled channels emphasis was placed upon the 3 S 1 -- 3 D 1 coupled channel matrix elements. Comparison is made between exactly calculated matrix elements, and matrix elements derived using an extended formulation of the coupled channel Sussex method. For simplicity the potential used is a nonseparable cut-off oscillator. The eigenphases of this potential can be made to approximate the realistic nucleon--nucleon phase shifts at low energies. By using the cut-off oscillator test potential, the original coupled channel Sussex method of determining parameter independence was shown to be incapable of accurately reproducing the exact cut-off oscillator matrix elements. The extended Sussex method was found to be accurate to within 10 percent. The extended method is based upon more general coupled channel DWBA and a noninfinite oscillator wave function solution to the cut-off oscillator auxiliary potential. A comparison is made in the coupled channels between matrix elements generated using the original Sussex method and the extended method. Tables of matrix elements generated using the original uncoupled channel Sussex method and the extended coupled channel Sussex method are presented for all necessary angular momentum channels

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.

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

An experimental determination of the parameters describing the K/sup + / to pi /sup +/ pi /sup 0/ pi /sup 0/ decay matrix element

CERN Document Server

Braun, H; Erriquez, O; Martyn, H U; Renton, P B; Romano, F; Vilain, P; Waldren, D

1976-01-01

The matrix element of the three pion decay mode of the kaon is expressed in terms of Mandelstam variables. An analysis of the Dalitz plot density distribution gives information on the parameters of the expression. From an analysis of the decays of stopping K/sup +/ mesons involving neutral pions in the CERN heavy-liquid bubble chamber filled with a propane ethane mixture, it is concluded that the energy dependence of the decay matrix element is compatible with a linear behaviour. (3 refs).

Gamow-Teller matrix elements from 00 ( p,n) cross section

International Nuclear Information System (INIS)

Goodman, C.D.; Goulding, C.A.; Greenfield, M.B.; Rapaport, J.; Bainum, D.E.; Foster, C.C.; Love, W.G.; Petrovich, F.

1980-01-01

After simple corrections for distortion effects, 120-MeV, 0 0 (p,n) cross sections are found to be proportional to the squares of the corresponding Fermi and Gamow-Teller matrix elements extracted from β-decay measurements. It is suggested that this proportionality can be used to extract Gamow-Teller matrix elements for transitions inaccessible to β decay

The finite element response Matrix method

International Nuclear Information System (INIS)

Nakata, H.; Martin, W.R.

1983-01-01

A new method for global reactor core calculations is described. This method is based on a unique formulation of the response matrix method, implemented with a higher order finite element method. The unique aspects of this approach are twofold. First, there are two levels to the overall calculational scheme: the local or assembly level and the global or core level. Second, the response matrix scheme, which is formulated at both levels, consists of two separate response matrices rather than one response matrix as is generally the case. These separate response matrices are seen to be quite beneficial for the criticality eigenvalue calculation, because they are independent of k /SUB eff/. The response matrices are generated from a Galerkin finite element solution to the weak form of the diffusion equation, subject to an arbitrary incoming current and an arbitrary distributed source. Calculational results are reported for two test problems, the two-dimensional International Atomic Energy Agency benchmark problem and a two-dimensional pressurized water reactor test problem (Biblis reactor), and they compare well with standard coarse mesh methods with respect to accuracy and efficiency. Moreover, the accuracy (and capability) is comparable to fine mesh for a fraction of the computational cost. Extension of the method to treat heterogeneous assemblies and spatial depletion effects is discussed

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.

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.

Study of the Matrix Effect on the Plasma Characterization of Heavy Elements in Soil Sediments

Directory of Open Access Journals (Sweden)

Tawfik W.

2007-01-01

Full Text Available Laser-induced breakdown spectroscopy (LIBS has been applied to perform a study of the matrix effect on the plasma characterization of soil sediment targets. The plasma is generated by focusing a pulsed Nd: YAG laser on the target in air at atmospheric pressure. The plasma emission spectrum was detected using a portable Echelle spectrometer (Mechelle 7500 — Multichannel Instruments, Stockholm, Sweden with intensified CCD camera. Spectroscopic analysis of plasma evolution of laser produced plasmas has been characterized in terms of their spectra, and electron temperature. Four heavy elements V, Pb, Mn and Co were determined in the obtained spectra. The LTE and optically thin plasma conditions were verified for the produced plasma. The electron temperature and density were determined using the emission intensity and stark broadening, respectively, of the spectral lines of the heavy elements in the soil sediments. The electron temperature does not change with concentration. For environmental applications, the obtained results showed the capability of the proposed LIBS setup with the portable Mechelle 7500 spectrometer to be applied in-situ for real-time measurements of the variation of the matrix elemental composition of soil sediments by following up only a single element as a marker for the composition of the soil sediment without need of analysis of the other elements.

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.

Rules for matrix element evaluations in JWKB approximation

International Nuclear Information System (INIS)

Giler, S.

1990-01-01

Using the properties of the so-called fundamental solutions to the one-dimensional Schroedinger equation having Froeman and Froeman form the rules are formulated which allow one to evaluate matrix elements in the JWKB approximation and its generalizations. The rules apply to operators M(x, d/dx), M being polynomial functions of their arguments. The applicability of the rules depends on the properties of the so-called canonical indices introduced in this paper. The canonical indices are global characteristics of underlying Stokes graphs. If sufficiently small in comparison with unity they allow one to apply safely the JWKB approximation within the so-called ε-reduced canonical domains of a given Stokes graph. The Oth canonical index for the nth energy level Stokes graph corresponding to the harmonic oscillator potential is found to be ε CAN = 0.678/(2n+1). If the application of the rules is allowed then approximated matrix elements are obtained in an unambiguous way and with an accuracy controlled by corresponding canonical indices. Several examples of matrix elements are considered to illustrate how the rules should be used. Limitations to the rules are also discussed with the aid of suitably chosen examples. (author)

Rigorous constraints on the matrix elements of the energy–momentum tensor

Directory of Open Access Journals (Sweden)

Peter Lowdon

2017-11-01

Full Text Available The structure of the matrix elements of the energy–momentum tensor play an important role in determining the properties of the form factors A(q2, B(q2 and C(q2 which appear in the Lorentz covariant decomposition of the matrix elements. In this paper we apply a rigorous frame-independent distributional-matching approach to the matrix elements of the Poincaré generators in order to derive constraints on these form factors as q→0. In contrast to the literature, we explicitly demonstrate that the vanishing of the anomalous gravitomagnetic moment B(0 and the condition A(0=1 are independent of one another, and that these constraints are not related to the specific properties or conservation of the individual Poincaré generators themselves, but are in fact a consequence of the physical on-shell requirement of the states in the matrix elements and the manner in which these states transform under Poincaré transformations.

Analytic vibrational matrix elements for diatomic molecules

International Nuclear Information System (INIS)

Bouanich, J.P.; Ogilvie, J.F.; Tipping, R.H.

1986-01-01

The vibrational matrix elements and expectation values for a diatomic molecule, including the rotational dependence, are calculated for powers of the reduced displacement in terms of the parameters of the Dunham potential-energy function. (orig.)

The Matrix Element Method at Next-to-Leading Order

OpenAIRE

Campbell, John M.; Giele, Walter T.; Williams, Ciaran

2012-01-01

This paper presents an extension of the matrix element method to next-to-leading order in perturbation theory. To accomplish this we have developed a method to calculate next-to-leading order weights on an event-by-event basis. This allows for the definition of next-to-leading order likelihoods in exactly the same fashion as at leading order, thus extending the matrix element method to next-to-leading order. A welcome by-product of the method is the straightforward and efficient generation of...

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

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.)

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

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

Glueball Spectrum and Matrix Elements on Anisotropic Lattices

Energy Technology Data Exchange (ETDEWEB)

Y. Chen; A. Alexandru; S.J. Dong; T. Draper; I. Horvath; F.X. Lee; K.F. Liu; N. Mathur; C. Morningstar; M. Peardon; S. Tamhankar; B.L. Young; J.B. Zhang

2006-01-01

The glueball-to-vacuum matrix elements of local gluonic operators in scalar, tensor, and pseudoscalar channels are investigated numerically on several anisotropic lattices with the spatial lattice spacing ranging from 0.1fm - 0.2fm. These matrix elements are needed to predict the glueball branching ratios in J/{psi} radiative decays which will help identify the glueball states in experiments. Two types of improved local gluonic operators are constructed for a self-consistent check and the finite volume effects are studied. We find that lattice spacing dependence of our results is very weak and the continuum limits are reliably extrapolated, as a result of improvement of the lattice gauge action and local operators. We also give updated glueball masses with various quantum numbers.

Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2

Science.gov (United States)

Bentalha, Zine el abidine

2018-06-01

Exact analytical representation for the Coulomb matrix elements by means of Appell's double series F 2 is derived. The finite sum obtained for the Appell function F 2 allows us to evaluate explicitly the matrix elements of the two-body Coulomb interaction in the lowest Landau level. An application requiring the matrix elements of Coulomb potential in quantum Hall effect regime is presented.

Nuclear Matrix Elements for the $\\beta\\beta$ Decay of the $^{76}$Ge

CERN Document Server

Brown, B A; Horoi, M

2015-01-01

The nuclear matrix elements for two-neutrino double-beta (2 n$\\beta\\beta$ ) and zero-neutrino double-beta (0 n$\\beta\\beta$) decay of 76 Ge are evaluated in terms of the configuration interaction (CI), quasiparticle random phase approximation (QRPA) and interacting boson model (IBM) methods. We show that the decomposition of the matrix elements in terms of interemediate states in 74 Ge is dominated by ground state of this nucleus. We consider corrections to the CI results that arise from configurations admixtures involving orbitals out-side of the CI configuration space by using results from QRPA, many-body-perturbation theory, and the connections to related observables. The CI two-neutrino matrix element is reduced due to the inclusion of spin-orbit partners, and to many-body correlations connected with Gamow-Teller beta decay. The CI zero-neutrino matrix element for the heavy neutrino is enhanced due to particle-particle correlations that are connected with the odd-even oscillations in the nuclear masse...

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

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.

Hadronic matrix elements in the QCD on the lattice

International Nuclear Information System (INIS)

Altmeyer, R.

1995-01-01

The work describes a lattice simulation of full QCD with dynamical Kogut-Susskind fermions. We evaluated different hadronic matrix elements which are related to the static and low-energy behaviour of hadrons. The analysis was performed on a 16 3 x 24 lattice with a coupling constant of β = 5.35 and a quark mass of m = 0.010. The calculations are based on a set of 85 configurations created by using a Hybrid-Monte-Carlo algorithm. First we evaluated the mass and energy spectrum of the low-lying hadrons using local operators as well as non-local operators. As the complete spectrum of the different pion and ρ meson lattice representations has been calculated we were able to check the restoration of continuum flavor symmetry. Moreover, the determination of energies E of hadron states with non-vanishing momentum vector q made it possible to investigate the lattice dispersion function E( vector q). Another part of the presented work is the determination of mesonic decay constants which parameterise the weak decay of mesons. They are related to hadronic matrix elements of the respective quark currents and through the calculation of these matrix elements we were able to determine the decay constants f π and f ρ . Before doing so, we calculated non-perturbatively renormalization constants for the currents under consideration. The next part is the determination of hadronic coupling constants. These parameterise in an effective low-energy model the interactions of different hadrons. They are related to hadronic matrix elements whose lattice calculation can be dpme bu evaluating 3-point correlation functions. Thus we evaluted the hadronic coupling constants g ρππ and g NNπ . Finally, an investigation of the pion-nucleon σterm was done. The σterm is defined through a hadronic matrix element of a quark-antiquark operator and can thus be evaluated on the lattice via the calculation of a 3-point correlation function. As we determined the connected and the disconnected

Hierarchy of Poisson brackets for elements of a scattering matrix

International Nuclear Information System (INIS)

Konopelchenko, B.G.; Dubrovsky, V.G.

1984-01-01

The infinite family of Poisson brackets [Ssub(i1k1) (lambda 1 ), Ssub(i2k2) (lambda 2 )]sub(n) (n=0, 1, 2, ...) between the elements of a scattering matrix is calculated for the linear matrix spectral problem. (orig.)

Axial-Current Matrix Elements in Light Nuclei from Lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Savage, Martin [Univ. of Washington, Seattle, WA (United States); Shanahan, Phiala E. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Tiburzi, Brian C. [Univ. of Maryland, College Park, MD (United States); Wagman, Michael L. [Univ. of Washington, Seattle, WA (United States); Winter, Frank T. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Beane, Silas [Univ. of New Hampshire, Durham, NH (United States); Chang, Emmanuel [Univ. of Washington, Seattle, WA (United States); Davoudi, Zohreh; Detmold, William [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Orginos, Konstantinos [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States)

2016-12-01

I present results from the first lattice QCD calculations of axial-current matrix elements in light nuclei, performed by the NPLQCD collaboration. Precision calculations of these matrix elements, and the subsequent extraction of multi-nucleon axial-current operators, are essential in refining theoretical predictions of the proton-proton fusion cross section, neutrino-nucleus cross sections and $\\beta\\beta$-decay rates of nuclei. In addition, they are expected to shed light on the phenomenological quenching of $g_A$ that is required in nuclear many-body calculations.

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.

Optimization of Coil Element Configurations for a Matrix Gradient Coil.

Science.gov (United States)

Kroboth, Stefan; Layton, Kelvin J; Jia, Feng; Littin, Sebastian; Yu, Huijun; Hennig, Jurgen; Zaitsev, Maxim

2018-01-01

Recently, matrix gradient coils (also termed multi-coils or multi-coil arrays) were introduced for imaging and B 0 shimming with 24, 48, and even 84 coil elements. However, in imaging applications, providing one amplifier per coil element is not always feasible due to high cost and technical complexity. In this simulation study, we show that an 84-channel matrix gradient coil (head insert for brain imaging) is able to create a wide variety of field shapes even if the number of amplifiers is reduced. An optimization algorithm was implemented that obtains groups of coil elements, such that a desired target field can be created by driving each group with an amplifier. This limits the number of amplifiers to the number of coil element groups. Simulated annealing is used due to the NP-hard combinatorial nature of the given problem. A spherical harmonic basis set up to the full third order within a sphere of 20-cm diameter in the center of the coil was investigated as target fields. We show that the median normalized least squares error for all target fields is below approximately 5% for 12 or more amplifiers. At the same time, the dissipated power stays within reasonable limits. With a relatively small set of amplifiers, switches can be used to sequentially generate spherical harmonics up to third order. The costs associated with a matrix gradient coil can be lowered, which increases the practical utility of matrix gradient coils.

Analytic vibration-rotational matrix elements for diatomic molecules

International Nuclear Information System (INIS)

Bouanich, J.P.

1987-01-01

The vibration-rotational matrix elements for infrared or Raman transitions vJ → v'J' of diatomic molecules are calculated for powers of the reduced displacement X from parameters of the Dunham potential-energy function. (orig.)

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)

Empirical Coulomb matrix elements and the mass of 22Al

International Nuclear Information System (INIS)

Whitehead, R.R.; Watt, A.; Kelvin, D.; Rutherford, H.J.

1976-01-01

An attempt has been made to obtain a set of Coulomb matrix elements which fit the known Coulomb energy shifts in the nuclei of mass 18 to 22. The interaction obtained fits the data well with only a few exceptions, one of these being the Coulomb shift of the notorious third 0 + state in 18 Ne. These Coulomb matrix elements are used together with the Chung-Wildenthal interaction to obtain a new prediction for the mass excess of 22 Al. The results indicate that 22 Al should be bound against proton emission. (Auth.)

Single-particle Glauber matrix elements

International Nuclear Information System (INIS)

Oset, E.; Strottman, D.

1983-01-01

The single-particle matrix elements of the Glauber profile function are tabulated for harmonic oscillator single-particle wave functions. The tables are presented in such a manner as to be applicable if the hadron--nucleon elementary scattering amplitude is specified by either a partial wave expansion or a Gaussian in momentum transfer squared. The table is complete through the 1 g/sub 9/2/ orbital and contains entries for the 3s/sub 1/2/ orbital for use if realistic wave functions are expanded in terms of harmonic oscillator functions

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.

Effect of sample matrix on the fundamental properties of the inductively coupled plasma

International Nuclear Information System (INIS)

Lehn, Scott A.; Warner, Kelly A.; Huang Mao; Hieftje, Gary M.

2003-01-01

In the inductively coupled plasma (ICP), the emission intensities of atomic and ionic spectral lines are controlled by fundamental parameters such as electron temperature, electron number density, gas-kinetic temperature, analyte atom and ion number densities, and others. Accordingly, the effect of a sample matrix on the analyte emission intensity in an ICP might be attributable to changes in these fundamental parameters caused by the matrix elements. In the present study, a plasma imaging instrument that combines Thomson scattering, Rayleigh scattering, laser-induced fluorescence and computed tomography has been employed to measure the above-mentioned parameters in the presence and absence of matrix elements. The data thus obtained were all collected on a spatially resolved basis and without the need for Abel inversion. Calcium, strontium and barium served as analytes, while lithium, copper and zinc were introduced as matrix elements. Comparing the data with and without the matrix elements allows us to determine the extent to which each fundamental parameter changes in the presence of a matrix element, and to better understand the nature of the matrix effects that occur in the ICP. As has been seen in previous studies with different matrix elements, ion emission and ion number densities follow opposite trends when matrix interferents are introduced into the plasma: ion emission is enhanced by the presence of matrix interferents while ion concentrations are lowered. These changes are consistent with a shift from collisional deactivation to radiative decay of excited-state analyte species

QCD event generators with next-to-leading order matrix-elements and parton showers

International Nuclear Information System (INIS)

Kurihara, Y.; Fujimoto, J.; Ishikawa, T.; Kato, K.; Kawabata, S.; Munehisa, T.; Tanaka, H.

2003-01-01

A new method to construct event-generators based on next-to-leading order QCD matrix-elements and leading-logarithmic parton showers is proposed. Matrix elements of loop diagram as well as those of a tree level can be generated using an automatic system. A soft/collinear singularity is treated using a leading-log subtraction method. Higher order resummation of the soft/collinear correction by the parton shower method is combined with the NLO matrix-element without any double-counting in this method. An example of the event generator for Drell-Yan process is given for demonstrating a validity of this method

Matrix elements of Δ B =0 operators in heavy hadron chiral perturbation theory

Science.gov (United States)

Lee, Jong-Wan

2015-05-01

We study the light-quark mass and spatial volume dependence of the matrix elements of Δ B =0 four-quark operators relevant for the determination of Vu b and the lifetime ratios of single-b hadrons. To this end, one-loop diagrams are computed in the framework of heavy hadron chiral perturbation theory with partially quenched formalism for three light-quark flavors in the isospin limit; flavor-connected and -disconnected diagrams are carefully analyzed. These calculations include the leading light-quark flavor and heavy-quark spin symmetry breaking effects in the heavy hadron spectrum. Our results can be used in the chiral extrapolation of lattice calculations of the matrix elements to the physical light-quark masses and to infinite volume. To provide insight on such chiral extrapolation, we evaluate the one-loop contributions to the matrix elements containing external Bd, Bs mesons and Λb baryon in the QCD limit, where sea and valence quark masses become equal. In particular, we find that the matrix elements of the λ3 flavor-octet operators with an external Bd meson receive the contributions solely from connected diagrams in which current lattice techniques are capable of precise determination of the matrix elements. Finite volume effects are at most a few percent for typical lattice sizes and pion masses.

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.

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.

The effects of flavour symmetry breaking on hadron matrix elements

International Nuclear Information System (INIS)

Cooke, A.N.; Horsley, R.; Pleiter, D.; Zanotti, J.M.

2012-12-01

By considering a flavour expansion about the SU(3)-flavour symmetric point, we investigate how flavour-blindness constrains octet baryon matrix elements after SU(3) is broken by the mass difference between the strange and light quarks. We find the expansions to be highly constrained along a mass trajectory where the singlet quark mass is held constant, which proves beneficial for extrapolations of 2+1 flavour lattice data to the physical point. We investigate these effects numerically via a lattice calculation of the flavour-conserving and flavour-changing matrix elements of the vector and axial operators between octet baryon states.

The effects of flavour symmetry breaking on hadron matrix elements

Energy Technology Data Exchange (ETDEWEB)

Cooke, A.N.; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Nakamura, Y. [RIKEN Advanced Institute for Computational Science, Kobe (Japan); Pleiter, D. [Juelich Research Centre (Germany); Regensburg Univ. (Germany). Institut fuer Theoretische Physik; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Division; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Zanotti, J.M. [Adelaide Univ. (Australia). School of Chemistry and Physics

2012-12-15

By considering a flavour expansion about the SU(3)-flavour symmetric point, we investigate how flavour-blindness constrains octet baryon matrix elements after SU(3) is broken by the mass difference between the strange and light quarks. We find the expansions to be highly constrained along a mass trajectory where the singlet quark mass is held constant, which proves beneficial for extrapolations of 2+1 flavour lattice data to the physical point. We investigate these effects numerically via a lattice calculation of the flavour-conserving and flavour-changing matrix elements of the vector and axial operators between octet baryon states.

Neutron-proton matrix element ratios of 21+ states in 58,60,62,64Ni

International Nuclear Information System (INIS)

Antalik, R.

1989-01-01

The neutron-proton matrix element ratios (η) for 2 1 + states of even Ni isotopes are investigated within the framework of the shell model quasiparticle random-phase approximation. The special attention is devoted to the dependence of η ratios on the radial neutron and proton ground-state density-distribution differences (Δ np ). This dependence is found to be about 0.5Δ np . The theoretical η ratios are 14-23% greater than the hydrodynamical limit. The theoretical Δ np dependence of η ratios enable us to understand the empirical η ratio results. 20 refs.; 2 figs.; 2 tabs

A collocation finite element method with prior matrix condensation

International Nuclear Information System (INIS)

Sutcliffe, W.J.

1977-01-01

For thin shells with general loading, sixteen degrees of freedom have been used for a previous finite element solution procedure using a Collocation method instead of the usual variational based procedures. Although the number of elements required was relatively small, nevertheless the final matrix for the simultaneous solution of all unknowns could become large for a complex compound structure. The purpose of the present paper is to demonstrate a method of reducing the final matrix size, so allowing solution for large structures with comparatively small computer storage requirements while retaining the accuracy given by high order displacement functions. Collocation points, a number are equilibrium conditions which must be satisfied independently of the overall compatibility of forces and deflections for a complete structure. (Auth.)

Analytic Expression of Arbitrary Matrix Elements for Boson Exponential Quadratic Polynomial Operators

Institute of Scientific and Technical Information of China (English)

XU Xiu-Wei; REN Ting-Qi; LIU Shu-Yan; MA Qiu-Ming; LIU Sheng-Dian

2007-01-01

Making use of the transformation relation among usual, normal, and antinormal ordering for the multimode boson exponential quadratic polynomial operators (BEQPO's), we present the analytic expression of arbitrary matrix elements for BEQPO's. As a preliminary application, we obtain the exact expressions of partition function about the boson quadratic polynomial system, matrix elements in particle-number, coordinate, and momentum representation, and P representation for the BEQPO's.

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

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.

Radiation and penetration matrix elements for magnetic quadrupole transitions between Nilsson states in odd nuclei

International Nuclear Information System (INIS)

Feresin, A.P.; Guseva, I.S.

1984-01-01

Single-particle matrix elements for magnetic quadrupole gamma radiation in odd deformed nuclei, calculated with the aid of Nilsson-potential wave functions, are presented. Also given are the internal conversion penetration matrix elements, calculated in the same manner. The penetration matrix elements are needed to estimate the nuclear penetration parameter, which determines the deviation of experimental internal conversion coefficients from their standard values given in tables. Matrix elements are given for transitions between all pairs of Nilsson single-particle states with ΔN = 1 and ΔK = 0, 1, and 2 for the nuclear shells with 4< or =N< or =7 and for the two deformation values epsilon = 0.2 and 0.3

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)

Nucleon matrix elements using the variational method in lattice QCD

International Nuclear Information System (INIS)

Dragos, J.; Kamleh, W.; Leinweber, D.B.; Zanotti, J.M.; Rakow, P.E.L.; Young, R.D.; Adelaide Univ., SA

2016-06-01

The extraction of hadron matrix elements in lattice QCD using the standard two- and threepoint correlator functions demands careful attention to systematic uncertainties. One of the most commonly studied sources of systematic error is contamination from excited states. We apply the variational method to calculate the axial vector current g_A, the scalar current g_S and the quark momentum fraction left angle x right angle of the nucleon and we compare the results to the more commonly used summation and two-exponential fit methods. The results demonstrate that the variational approach offers a more efficient and robust method for the determination of nucleon matrix elements.

Inert matrix fuel in dispersion type fuel elements

Energy Technology Data Exchange (ETDEWEB)

Savchenko, A.M. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation)]. E-mail: sav@bochvar.ru; Vatulin, A.V. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Morozov, A.V. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Sirotin, V.L. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Dobrikova, I.V. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Kulakov, G.V. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Ershov, S.A. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Kostomarov, V.P. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation); Stelyuk, Y.I. [A.A. Bochvar All-Russia Research Institute of Inorganic Materials (VNIINM) 123060, P.O. Box 369, Rogova Street, 5A, Moscow (Russian Federation)

2006-06-30

The advantages of using inert matrix fuel (IMF) as a dispersion fuel in an aluminium alloy matrix are considered, in particular, low temperatures in the fuel centre, achievable high burn-ups, serviceability in transients and an environmentally friendly process of fuel rod fabrication. Two main versions of IMF are under development at A.A. Bochvar Institute, i.e. heterogeneous or isolated distribution of plutonium. The out-of-pile results on IMF loaded with uranium dioxide as plutonium simulator are presented. Fuel elements with uranium dioxide composition fabricated at A.A. Bochvar Institute are currently under MIR tests (RIAR, Dimitrovgrad). The fuel elements reached a burn-up of 88 MW d kg{sup -1} (equivalent to the burn up of the standard uranium dioxide pelletized fuel) without loss of leak-tightness of the cladding. The feasibility of fabricating IMF of these particular types with plutonium dioxide is considered with a view to in-pile irradiation.

Inert matrix fuel in dispersion type fuel elements

Science.gov (United States)

Savchenko, A. M.; Vatulin, A. V.; Morozov, A. V.; Sirotin, V. L.; Dobrikova, I. V.; Kulakov, G. V.; Ershov, S. A.; Kostomarov, V. P.; Stelyuk, Y. I.

2006-06-01

The advantages of using inert matrix fuel (IMF) as a dispersion fuel in an aluminium alloy matrix are considered, in particular, low temperatures in the fuel centre, achievable high burn-ups, serviceability in transients and an environmentally friendly process of fuel rod fabrication. Two main versions of IMF are under development at A.A. Bochvar Institute, i.e. heterogeneous or isolated distribution of plutonium. The out-of-pile results on IMF loaded with uranium dioxide as plutonium simulator are presented. Fuel elements with uranium dioxide composition fabricated at A.A. Bochvar Institute are currently under MIR tests (RIAR, Dimitrovgrad). The fuel elements reached a burn-up of 88 MW d kg-1 (equivalent to the burn up of the standard uranium dioxide pelletized fuel) without loss of leak-tightness of the cladding. The feasibility of fabricating IMF of these particular types with plutonium dioxide is considered with a view to in-pile irradiation.

Scattering-matrix elements of coated infinite-length cylinders

International Nuclear Information System (INIS)

Manickavasagam, S.; Menguec, M.P.

1998-01-01

The angular variations of scattering-matrix elements of coated cylindrical particles are presented. The sensitivity of different elements for a number of physical parameters are discussed, including size parameter, real and imaginary parts of the refractive index of the outer coat, and the inner core. The numerical predictions are presented for typical index-of-refraction values of cotton fibers. These results show that the physical structure of coated cylinders can be determined from carefully conducted light-scattering experiments. copyright 1998 Optical Society of America

Structure of nuclear transition matrix elements for neutrinoless ...

Indian Academy of Sciences (India)

Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double- decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

Bag-model matrix elements of the parity-violating weak hamiltonian for charmed baryons

International Nuclear Information System (INIS)

Ebert, D.; Kallies, W.

1983-01-01

Baryon matrix elements of the parity-violating part of the charmchanging weak Hamiltonian might be significant and comparable with those of the parity-conserving one due to large symmetry breaking. Expression for these new matrix elements by using the MIT-bag model are derived and their implications on earlier calculations of nonleptonic charmed-baryon decays are estimated

Detection of density dependence requires density manipulations and calculation of lambda.

Science.gov (United States)

Fowler, N L; Overath, R Deborah; Pease, Craig M

2006-03-01

To investigate density-dependent population regulation in the perennial bunchgrass Bouteloua rigidiseta, we experimentally manipulated density by removing adults or adding seeds to replicate quadrats in a natural population for three annual intervals. We monitored the adjacent control quadrats for 14 annual intervals. We constructed a population projection matrix for each quadrat in each interval, calculated lambda, and did a life table response experiment (LTRE) analysis. We tested the effects of density upon lambda by comparing experimental and control quadrats, and by an analysis of the 15-year observational data set. As measured by effects on lambda and on N(t+1/Nt in the experimental treatments, negative density dependence was strong: the population was being effectively regulated. The relative contributions of different matrix elements to treatment effect on lambda differed among years and treatments; overall the pattern was one of small contributions by many different life cycle stages. In contrast, density dependence could not be detected using only the observational (control quadrats) data, even though this data set covered a much longer time span. Nor did experimental effects on separate matrix elements reach statistical significance. These results suggest that ecologists may fail to detect density dependence when it is present if they have only descriptive, not experimental, data, do not have data for the entire life cycle, or analyze life cycle components separately.

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.

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.

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

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.

Structure of nuclear transition matrix elements for neutrinoless ...

Indian Academy of Sciences (India)

Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double-β decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

A Literature Study of Matrix Element Influenced to the Result of Analysis Using Absorption Atomic Spectroscopy Method (AAS)

International Nuclear Information System (INIS)

Tyas-Djuhariningrum

2004-01-01

The gold sample analysis can be deviated more than >10% to those thrue value caused by the matrix element. So that the matrix element character need to be study in order to reduce the deviation. In rock samples, the matrix elements can cause self quenching, self absorption and ionization process, so there is a result analysis error. In the rock geochemical process, the elements of the same group at the periodic system have the tendency to be together because of their same characteristic. In absorption Atomic Spectroscopy analysis, the elements associate can absorb primer energy with similar wave length so that it can cause deviation in the result interpretation. The aim of study is to predict matrix element influences from rock sample with application standard method for reducing deviation. In quantitative way, assessment of primer light intensity that will be absorbed is proportional to the concentration atom in the sample that relationship between photon intensity with concentration in part per million is linier (ppm). These methods for eliminating matrix elements influence consist of three methods : external standard method, internal standard method, and addition standard method. External standard method for all matrix element, internal standard method for elimination matrix element that have similar characteristics, addition standard methods for elimination matrix elements in Au, Pt samples. The third of standard posess here accuracy are about 95-97%. (author)

Matrix elements of u and p for the modified Poeschl-Teller potential

International Nuclear Information System (INIS)

Gomez-Camacho, J; Lemus, R; Arias, J M

2004-01-01

Closed analytical expressions in terms of a single sum are obtained for the matrix elements of the momentum and the natural variable u tanh(αx) in the basis of the modified Poeschl-Teller (MPT) bound eigenstates. These matrix elements are first expressed in terms of Franck-Condon factors, which thereafter are substituted for analytic expressions. Expansions of the variables p and u in terms of creation and annihilation operators associated with the MPT bound eigenfunctions are also presented

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.

Composition Feature of the Element Tangent Stiffness Matrix of Geometrically Nonlinear 2D Frame Structures

Directory of Open Access Journals (Sweden)

Romanas Karkauskas

2011-04-01

Full Text Available The expressions of the finite element method tangent stiffness matrix of geometrically nonlinear constructions are not fully presented in publications. The matrixes of small displacements stiffness are usually presented only. To solve various problems of construction analysis or design and to specify the mode of the real deflection of construction, it is necessary to have a fully described tangent matrix analytical expression. This paper presents a technique of tangent stiffness matrix generation using discrete body total potential energy stationary conditions considering geometrically nonlinear 2D frame element taking account of interelement interaction forces only. The obtained vector-function derivative of internal forces considering nodal displacements is the tangent stiffness matrix. The analytical expressions having nodal displacements of matrixes forming the content of the 2D frame construction element tangent stiffness matrix are presented in the article. The suggested methodology has been checked making symbolical calculations in the medium of MatLAB calculation complex. The analytical expression of the stiffness matrix has been obtained.Article in Lithuanian

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

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.

Matrix elements of Yale potential and level properties of light nuclei

Energy Technology Data Exchange (ETDEWEB)

Kumar, N; Prakash, O [Delhi Univ. (India). Dept. of Physics and Astrophysics

1976-07-01

Shell model calculations using bare and renormalized matrix elements of the Yale potential are reported for the normal-parity states of A = 6-9 nuclei. Renormalization of the two-body matrix elements using second-order perturbation theory is not found to improve the agreements with the experimental data. Inclusion of the energy shifts of ground state rotational bands in /sup 8/Be and /sup 9/Be are, however, found to improve the agreements with the excitation energies of nuclear levels. The need for carrying out more calculations of these nuclei with realistic forces is pointed out.

A pedagogical derivation of the matrix element method in particle physics data analysis

Science.gov (United States)

Sumowidagdo, Suharyo

2018-03-01

The matrix element method provides a direct connection between the underlying theory of particle physics processes and detector-level physical observables. I am presenting a pedagogically-oriented derivation of the matrix element method, drawing from elementary concepts in probability theory, statistics, and the process of experimental measurements. The level of treatment should be suitable for beginning research student in phenomenology and experimental high energy physics.

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

Quasi-exact evaluation of time domain MFIE MOT matrix elements

KAUST Repository

Shi, Yifei; Bagci, Hakan; Shanker, Balasubramaniam; Lu, Mingyu; Michielssen, Eric

2013-01-01

A previously proposed quasi-exact scheme for evaluating matrix elements resulting from the marching-on-in-time (MOT) discretization of the time domain electric field integral equation (EFIE) is extended to matrix entries resulting from the discretization of its magnetic field integral equation (MFIE) counterpart. Numerical results demonstrate the accuracy of the scheme as well as the late-time stability of the resulting MOT-MFIE solver. © 2013 IEEE.

Quasi-exact evaluation of time domain MFIE MOT matrix elements

KAUST Repository

Shi, Yifei

2013-07-01

A previously proposed quasi-exact scheme for evaluating matrix elements resulting from the marching-on-in-time (MOT) discretization of the time domain electric field integral equation (EFIE) is extended to matrix entries resulting from the discretization of its magnetic field integral equation (MFIE) counterpart. Numerical results demonstrate the accuracy of the scheme as well as the late-time stability of the resulting MOT-MFIE solver. © 2013 IEEE.

Relation between the 2{nu}{beta}{beta} and 0{nu}{beta}{beta} nuclear matrix elements

Energy Technology Data Exchange (ETDEWEB)

Vogel, Petr [Kellogg Radiation Laboratory, Caltech, Pasadena, CA 91125 (United States); Simkovic, Fedor [Department of Nuclear Physics and Biophysics, Comenius University, Mlynska dolina F1, SK-84248 Bratislava (Slovakia)

2011-12-16

A formal relation between the GT part of the nuclear matrix elements M{sub GT}{sup 0{nu}} of 0{nu}{beta}{beta} decay and the closure matrix elements M{sub cl}{sup 2{nu}} of 2{nu}{beta}{beta} decay is established. This relation is based on the integral representation of these quantities in terms of their dependence on the distance r between the two nucleons undergoing transformation. We also discuss the difficulties in determining the correct values of the closure 2{nu}{beta}{beta} decay matrix elements.

Kinetic-energy matrix elements for atomic Hylleraas-CI wave functions

Energy Technology Data Exchange (ETDEWEB)

Harris, Frank E., E-mail: harris@qtp.ufl.edu [Department of Physics, University of Utah, Salt Lake City, Utah 84112, USA and Quantum Theory Project, University of Florida, P.O. Box 118435, Gainesville, Florida 32611 (United States)

2016-05-28

Hylleraas-CI is a superposition-of-configurations method in which each configuration is constructed from a Slater-type orbital (STO) product to which is appended (linearly) at most one interelectron distance r{sub ij}. Computations of the kinetic energy for atoms by this method have been difficult due to the lack of formulas expressing these matrix elements for general angular momentum in terms of overlap and potential-energy integrals. It is shown here that a strategic application of angular-momentum theory, including the use of vector spherical harmonics, enables the reduction of all atomic kinetic-energy integrals to overlap and potential-energy matrix elements. The new formulas are validated by showing that they yield correct results for a large number of integrals published by other investigators.

Proton decay matrix elements from lattice QCD

International Nuclear Information System (INIS)

Aoki, Yasumichi; Shintani, Eigo

2012-01-01

We report on the calculation of the matrix elements of nucleon to pseudoscalar decay through a three quark operator, a part of the low-energy, four-fermion, baryon-number-violating operator originating from grand unified theories. The direct calculation of the form factors using domain-wall fermions on the lattice, incorporating the u, d and s sea-quarks effects yields the results with all the relevant systematic uncertainties controlled for the first time.

Matrix elements of intraband transitions in quantum dot intermediate band solar cells: the influence of quantum dot presence on the extended-state electron wave-functions

International Nuclear Information System (INIS)

Nozawa, Tomohiro; Arakawa, Yasuhiko

2014-01-01

The intraband transitions which are essential for quantum dot intermediate band solar cells (QD IBSCs) are theoretically investigated by estimating the matrix elements from a ground bound state, which is often regarded as an intermediate band (IB), to conduction band (CB) states for a structure with a quantum dot (QD) embedded in a matrix (a QD/matrix structure). We have found that the QD pushes away the electron envelope functions (probability densities) from the QD region in almost all quantum states above the matrix CB minimum. As a result, the matrix elements of the intraband transitions in the QD/matrix structure are largely reduced, compared to those calculated assuming the envelope functions of free electrons (i.e., plane-wave envelope functions) in a matrix structure as the final states of the intraband transitions. The result indicates the strong influence of the QD itself on the intraband transitions from the IB to the CB states in QD IBSC devices. This work will help in better understanding the problem of the intraband transitions and give new insight, that is, engineering of quantum states is indispensable for the realization of QD IBSCs with high solar energy conversion efficiencies. (paper)

On the estimation of matrix elements for optical transitions in semiconductors

International Nuclear Information System (INIS)

Hassan, A.R.

1992-09-01

A semi-empirical method is used to calculate the numerical values of the interband momentum matrix elements of the allowed optical transitions in semiconductors. This method is based on the evaluation of the ratio of the two-photon and one-photon absorption coefficients and the compare the result with the corresponding experimental values in a number of semiconductors both for direct and indirect transition processes. The numerical values of the momentum matrix elements are compared with the convenient theoretical calculations available. The result is found to agree fairly well with the corresponding values computed using the k-vector · p-vector perturbation theory. (author). 19 refs, 2 figs, 2 tabs

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

Modelling of polypropylene fibre-matrix composites using finite element analysis

Directory of Open Access Journals (Sweden)

2009-01-01

Full Text Available Polypropylene (PP fibre-matrix composites previously prepared and studied experimentally were modelled using finite element analysis (FEA in this work. FEA confirmed that fibre content and composition controlled stress distribution in all-PP composites. The stress concentration at the fibre-matrix interface became greater with less fibre content. Variations in fibre composition were more significant in higher stress regions of the composites. When fibre modulus increased, the stress concentration at the fibres decreased and the shear stress at the fibre-matrix interface became more intense. The ratio between matrix modulus and fibre modulus was important, as was the interfacial stress in reducing premature interfacial failure and increasing mechanical properties. The model demonstrated that with low fibre concentration, there were insufficient fibres to distribute the applied stress. Under these conditions the matrix yielded when the applied stress reached the matrix yield stress, resulting in increased fibre axial stress. When the fibre content was high, there was matrix depletion and stress transfer was inefficient. The predictions of the FEA model were consistent with experimental and published data.

On the generalized eigenvalue method for energies and matrix elements in lattice field theory

Energy Technology Data Exchange (ETDEWEB)

Blossier, Benoit [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)]|[Paris-XI Univ., 91 - Orsay (France). Lab. de Physique Theorique; Morte, Michele della [CERN, Geneva (Switzerland). Physics Dept.]|[Mainz Univ. (Germany). Inst. fuer Kernphysik; Hippel, Georg von; Sommer, Rainer [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Mendes, Tereza [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)]|[Sao Paulo Univ. (Brazil). IFSC

2009-02-15

We discuss the generalized eigenvalue problem for computing energies and matrix elements in lattice gauge theory, including effective theories such as HQET. It is analyzed how the extracted effective energies and matrix elements converge when the time separations are made large. This suggests a particularly efficient application of the method for which we can prove that corrections vanish asymptotically as exp(-(E{sub N+1}-E{sub n}) t). The gap E{sub N+1}-E{sub n} can be made large by increasing the number N of interpolating fields in the correlation matrix. We also show how excited state matrix elements can be extracted such that contaminations from all other states disappear exponentially in time. As a demonstration we present numerical results for the extraction of ground state and excited B-meson masses and decay constants in static approximation and to order 1/m{sub b} in HQET. (orig.)

On the generalized eigenvalue method for energies and matrix elements in lattice field theory

International Nuclear Information System (INIS)

Blossier, Benoit; Mendes, Tereza; Sao Paulo Univ.

2009-02-01

We discuss the generalized eigenvalue problem for computing energies and matrix elements in lattice gauge theory, including effective theories such as HQET. It is analyzed how the extracted effective energies and matrix elements converge when the time separations are made large. This suggests a particularly efficient application of the method for which we can prove that corrections vanish asymptotically as exp(-(E N+1 -E n ) t). The gap E N+1 -E n can be made large by increasing the number N of interpolating fields in the correlation matrix. We also show how excited state matrix elements can be extracted such that contaminations from all other states disappear exponentially in time. As a demonstration we present numerical results for the extraction of ground state and excited B-meson masses and decay constants in static approximation and to order 1/m b in HQET. (orig.)

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.

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.

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.

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.

Method of computer algebraic calculation of the matrix elements in the second quantization language

International Nuclear Information System (INIS)

Gotoh, Masashi; Mori, Kazuhide; Itoh, Reikichi

1995-01-01

An automated method by the algebraic programming language REDUCE3 for specifying the matrix elements expressed in second quantization language is presented and then applied to the case of the matrix elements in the TDHF theory. This program works in a very straightforward way by commuting the electron creation and annihilation operator (a † and a) until these operators have completely vanished from the expression of the matrix element under the appropriate elimination conditions. An improved method using singlet generators of unitary transformations in the place of the electron creation and annihilation operators is also presented. This improvement reduces the time and memory required for the calculation. These methods will make programming in the field of quantum chemistry much easier. 11 refs., 1 tab

A stochastic method for computing hadronic matrix elements

Energy Technology Data Exchange (ETDEWEB)

Alexandrou, Constantia [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus). Computational-based Science and Technology Research Center; Dinter, Simon; Drach, Vincent [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Jansen, Karl [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Hadjiyiannakou, Kyriakos [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Renner, Dru B. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Collaboration: European Twisted Mass Collaboration

2013-02-15

We present a stochastic method for the calculation of baryon three-point functions that is more versatile compared to the typically used sequential method. We analyze the scaling of the error of the stochastically evaluated three-point function with the lattice volume and find a favorable signal-to-noise ratio suggesting that our stochastic method can be used efficiently at large volumes to compute hadronic matrix elements.

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.

Measurement of the matrix elements for the decays η'→η π+π- and η'→η π0π0

Science.gov (United States)

Ablikim, M.; Achasov, M. N.; Ahmed, S.; Albrecht, M.; Amoroso, A.; An, F. F.; An, Q.; Bai, J. Z.; Bai, Y.; Bakina, O.; Baldini Ferroli, R.; Ban, Y.; Bennett, D. W.; Bennett, J. V.; Berger, N.; Bertani, M.; Bettoni, D.; Bian, J. M.; Bianchi, F.; Boger, E.; Boyko, I.; Briere, R. A.; Cai, H.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chai, J.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, S. J.; Chen, X. R.; Chen, Y. B.; Chu, X. K.; Cibinetto, G.; Dai, H. L.; Dai, J. P.; Dbeyssi, A.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; de Mori, F.; Ding, Y.; Dong, C.; Dong, J.; Dong, L. Y.; Dong, M. Y.; Dorjkhaidav, O.; Dou, Z. L.; Du, S. X.; Duan, P. F.; Fang, J.; Fang, S. S.; Fang, X.; Fang, Y.; Farinelli, R.; Fava, L.; Fegan, S.; Feldbauer, F.; Felici, G.; Feng, C. Q.; Fioravanti, E.; Fritsch, M.; Fu, C. D.; Gao, Q.; Gao, X. L.; Gao, Y.; Gao, Y. G.; Gao, Z.; Garzia, I.; Goetzen, K.; Gong, L.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, S.; Gu, Y. T.; Guo, A. Q.; Guo, L. B.; Guo, R. P.; Guo, Y. P.; Haddadi, Z.; Han, S.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, X. Q.; Heinsius, F. H.; Held, T.; Heng, Y. K.; Holtmann, T.; Hou, Z. L.; Hu, C.; Hu, H. M.; Hu, T.; Hu, Y.; Huang, G. S.; Huang, J. S.; Huang, X. T.; Huang, X. Z.; Huang, Z. L.; Hussain, T.; Ikegami Andersson, W.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, X. S.; Jiang, X. Y.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Jin, Y.; Johansson, T.; Julin, A.; Kalantar-Nayestanaki, N.; Kang, X. L.; Kang, X. S.; Kavatsyuk, M.; Ke, B. C.; Khan, T.; Khoukaz, A.; Kiese, P.; Kliemt, R.; Koch, L.; Kolcu, O. B.; Kopf, B.; Kornicer, M.; Kuemmel, M.; Kuhlmann, M.; Kupsc, A.; Kühn, W.; Lange, J. S.; Lara, M.; Larin, P.; Lavezzi, L.; Leithoff, H.; Leng, C.; Li, C.; Li, Cheng; Li, D. M.; Li, F.; Li, F. Y.; Li, G.; Li, H. B.; Li, H. J.; Li, J. C.; Li, Jin; Li, K.; Li, K.; Li, K. J.; Li, Lei; Li, P. L.; Li, P. R.; Li, Q. Y.; Li, T.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Lin, D. X.; Liu, B.; Liu, B. J.; Liu, C. X.; Liu, D.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H. B.; Liu, H. H.; Liu, H. H.; Liu, H. M.; Liu, J. B.; Liu, J. P.; Liu, J. Y.; Liu, K.; Liu, K. Y.; Liu, Ke; Liu, L. D.; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Z. A.; Liu, Zhiqing; Long, Y. F.; Lou, X. C.; Lu, H. J.; Lu, J. G.; Lu, Y.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, X. L.; Lyu, X. R.; Ma, F. C.; Ma, H. L.; Ma, L. L.; Ma, M. M.; Ma, Q. M.; Ma, T.; Ma, X. N.; Ma, X. Y.; Ma, Y. M.; Maas, F. E.; Maggiora, M.; Magnoni, A. S.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Marcello, S.; Meng, Z. X.; Messchendorp, J. G.; Mezzadri, G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Mo, Y. J.; Morales Morales, C.; Morello, G.; Muchnoi, N. Yu.; Muramatsu, H.; Mustafa, A.; Nefedov, Y.; Nerling, F.; Nikolaev, I. B.; Ning, Z.; Nisar, S.; Niu, S. L.; Niu, X. Y.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pan, Y.; Papenbrock, M.; Patteri, P.; Pelizaeus, M.; Pellegrino, J.; Peng, H. P.; Peters, K.; Pettersson, J.; Ping, J. L.; Ping, R. G.; Poling, R.; Prasad, V.; Qi, H. R.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, N.; Qin, X.; Qin, X. S.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Redmer, C. F.; Richter, M.; Ripka, M.; Rolo, M.; Rong, G.; Rosner, Ch.; Ruan, X. D.; Sarantsev, A.; Savrié, M.; Schnier, C.; Schoenning, K.; Shan, W.; Shao, M.; Shen, C. P.; Shen, P. X.; Shen, X. Y.; Sheng, H. Y.; Song, J. J.; Song, W. M.; Song, X. Y.; Sosio, S.; Sowa, C.; Spataro, S.; Sun, G. X.; Sun, J. F.; Sun, L.; Sun, S. S.; Sun, X. H.; Sun, Y. J.; Sun, Y. K.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, G. Y.; Tang, X.; Tapan, I.; Tiemens, M.; Tsednee, B. T.; Uman, I.; Varner, G. S.; Wang, B.; Wang, B. L.; Wang, D.; Wang, D. Y.; Wang, Dan; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, W. P.; Wang, X. F.; Wang, Y.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. H.; Wang, Z. Y.; Wang, Z. Y.; Weber, T.; Wei, D. H.; Wei, J. H.; Weidenkaff, P.; Wen, S. P.; Wiedner, U.; Wolke, M.; Wu, L. H.; Wu, L. J.; Wu, Z.; Xia, L.; Xia, Y.; Xiao, D.; Xiao, H.; Xiao, Y. J.; Xiao, Z. J.; Xie, Y. G.; Xie, Y. H.; Xiong, X. A.; Xiu, Q. L.; Xu, G. F.; Xu, J. J.; Xu, L.; Xu, Q. J.; Xu, Q. N.; Xu, X. P.; Yan, L.; Yan, W. B.; Yan, W. C.; Yan, Y. H.; Yang, H. J.; Yang, H. X.; Yang, L.; Yang, Y. H.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yin, J. H.; You, Z. Y.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yuan, C. Z.; Yuan, Y.; Yuncu, A.; Zafar, A. A.; Zeng, Y.; Zeng, Z.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. L.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, K.; Zhang, L.; Zhang, S. Q.; Zhang, X. Y.; Zhang, Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. T.; Zhang, Yu; Zhang, Z. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, J. W.; Zhao, J. Y.; Zhao, J. Z.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, W. J.; Zheng, Y. H.; Zhong, B.; Zhou, L.; Zhou, X.; Zhou, X. K.; Zhou, X. R.; Zhou, X. Y.; Zhou, Y. X.; Zhu, J.; Zhu, K.; Zhu, K. J.; Zhu, S.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zou, B. S.; Zou, J. H.; Besiii Collaboration

2018-01-01

Based on a sample of 1.31 ×109 J /ψ events collected with the BESIII detector, the matrix elements for the decays η'→η π+π- and η'→η π0π0 are determined using 351,016 η'→(η →γ γ )π+π- and 56,249 η'→(η →γ γ )π0π0 events with background levels less than 1%. Two commonly used representations are used to describe the Dalitz plot density. We find that an assumption of a linear amplitude does not describe the data well. A small deviation of the obtained matrix elements between η'→η π+π- and η'→η π0π0 is probably caused by the mass difference between charged and neutral pions or radiative corrections. No cusp structure in η'→η π0π0 is observed.

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....

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.

Rovibrational matrix elements of the multipole moments and of the ...

Indian Academy of Sciences (India)

The rovibrational matrix elements of the multipole moments and polarizability of molecules find applications in the study of infrared spectra, intermolecular potential and collision-induced absorption phenomena, especially in homonuclear molecules. Because of its simplicity and fundamental importance, the hydrogen ...

Application of FIRE for the calculation of photon matrix elements

Indian Academy of Sciences (India)

to evaluate the two-loop Feynman diagrams for the photon matrix element of the ... sum of scalar Feynman integrals to a linear combination of a few master integrals. .... Then, FIRE is used to express these scalar integrals as a linear combi-.

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

On the possibility to measure 0νββ-decay nuclear matrix element for 48Ca

International Nuclear Information System (INIS)

Rodin, Vadim

2011-01-01

As shown in Ref. [2], the Fermi part M F 0ν of the total 0νββ-decay nuclear matrix element M 0ν can be related to the single Fermi transition matrix element between the isobaric analog state (IAS) of the ground state of the initial nucleus and the ground state of the final nucleus. The latter matrix element could be measured in charge-exchange reactions. Here we discuss a possibility of such a measurement for 48 Ca and estimate the cross-section of the reaction 48 Ti(n,p) 48 Sc(IAS).

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).

Measurement of the CKM matrix element |V_ts|²

CERN Document Server

Unverdorben, Christopher Gerhard

This is the first direct measurement of the CKM matrix element |V_ts|, using data collected by the ATLAS detector in 2012 at √s=8 TeV pp-collisions with a total integrated luminosity of 20.3 fb⁻¹. The analysis is based on 112171 reconstructed tt̅ candidate events in the lepton+jets channel, having a purity of 90.0 %. 183 tt̅→WWbs̅ decays are expected (charge conjugation implied), which are available for the extraction of the CKM matrix element |V_ts|². To identify these rare decays, several observables are examined, such as the properties of jets, tracks and of b-quark identification algorithms. Furthermore, the s-quark hadrons K0s are considered, reconstructed by a kinematic fit. The best observables are combined in a multivariate analysis, called "boosted decision trees". The responses from Monte Carlo simulations are used as templates for a fit to data events yielding a significance value of 0.7σ for t→s+W decays. An upper limit of |V_ts|² < 1.74 % at 95 % confidence level is set, includi...

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.

Matrix elements and few-body calculations within the unitary correlation operator method

International Nuclear Information System (INIS)

Roth, R.; Hergert, H.; Papakonstantinou, P.

2005-01-01

We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges. (orig.)

Matrix elements and few-body calculations within the unitary correlation operator method

International Nuclear Information System (INIS)

Roth, R.; Hergert, H.; Papakonstantinou, P.; Neff, T.; Feldmeier, H.

2005-01-01

We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges

Reorientation-effect measurement of the matrix element in 10Be

Science.gov (United States)

Orce, J. N.; Drake, T. E.; Djongolov, M. K.; Navrátil, P.; Triambak, S.; Ball, G. C.; Al Falou, H.; Churchman, R.; Cross, D. S.; Finlay, P.; Forssén, C.; Garnsworthy, A. B.; Garrett, P. E.; Hackman, G.; Hayes, A. B.; Kshetri, R.; Lassen, J.; Leach, K. G.; Li, R.; Meissner, J.; Pearson, C. J.; Rand, E. T.; Sarazin, F.; Sjue, S. K. L.; Stoyer, M. A.; Sumithrarachchi, C. S.; Svensson, C. E.; Tardiff, E. R.; Teigelhoefer, A.; Williams, S. J.; Wong, J.; Wu, C. Y.

2012-10-01

The highly-efficient and segmented TIGRESS γ-ray spectrometer at TRIUMF has been used to perform a reorientation-effect Coulomb-excitation study of the 21+ state at 3.368 MeV in 10Be. This is the first Coulomb-excitation measurement that enables one to obtain information on diagonal matrix elements for such a high-lying first excited state from γ-ray data. With the availability of accurate lifetime data, a value of -0.110±0.087 eb is determined for the diagonal matrix element, which assuming the rotor model, leads to a negative spectroscopic quadrupole moment of QS(21+)=-0.083±0.066 eb. This result is in agreement with both no-core shell-model calculations performed in this work with the CD-Bonn 2000 two-nucleon potential and large shell-model spaces, and Green's function Monte Carlo predictions with two- plus three-nucleon potentials.

Current matrix element in HAL QCD's wavefunction-equivalent potential method

Science.gov (United States)

Watanabe, Kai; Ishii, Noriyoshi

2018-04-01

We give a formula to calculate a matrix element of a conserved current in the effective quantum mechanics defined by the wavefunction-equivalent potentials proposed by the HAL QCD collaboration. As a first step, a non-relativistic field theory with two-channel coupling is considered as the original theory, with which a wavefunction-equivalent HAL QCD potential is obtained in a closed analytic form. The external field method is used to derive the formula by demanding that the result should agree with the original theory. With this formula, the matrix element is obtained by sandwiching the effective current operator between the left and right eigenfunctions of the effective Hamiltonian associated with the HAL QCD potential. In addition to the naive one-body current, the effective current operator contains an additional two-body term emerging from the degrees of freedom which has been integrated out.

Study of color-octet matrix elements through J/ψ production in e{sup +}e{sup -} annihilation

Energy Technology Data Exchange (ETDEWEB)

Li, Yi-Jie; Xu, Guang-Zhi; Zhang, Pan-Pan; Liu, Kui-Yong [Liaoning University, Department of Physics, Shenyang (China); Zhang, Yu-Jie [Beihang University, School of Physics, Beijing (China); CAS Center for Excellence in Particle Physics, Beijing (China)

2017-09-15

In this paper, the color-octet long distance matrix elements are studied through the inclusive J/ψ production in e{sup +}e{sup -} annihilation within the framework of non-relativistic QCD factorization. The calculations are up-to next-to-leading order with the radiative and relativistic corrections in the energy region of the B-factory and the near-threshold region of 4.6-5.6 GeV. A constraint of the long distance matrix elements (left angle {sup 1}S{sub 0}{sup 8} right angle, left angle {sup 3}P{sub 0}{sup 8} right angle) is obtained. Through our estimation, the P-wave color-octet matrix element (left angle 0 vertical stroke {sup 3}P{sup 8}{sub 0} vertical stroke 0 right angle) should be of the order of 0.008m{sub c}{sup 2} GeV{sup 3} or less. The constrained region is not compatible with the values of the long distance matrix elements fitted at hadron colliders. (orig.)

Role of shell structure in the 2νββ nuclear matrix elements

International Nuclear Information System (INIS)

Nakada, H.

1998-01-01

Significance of the nuclear shell structure in the ββ nuclear matrix elements is pointed out. The 2νββ processes are mainly mediated by the low-lying 1 + states. The shell structure also gives rise to concentration or fragmentation of the 2νββ components over intermediate states, depending on nuclide. These roles of the shell structure are numerically confirmed by realistic shell model calculations. Some shell structure effects are suggested for 0νββ matrix elements; dominance of low-lying intermediate states and nucleus-dependence of their spin-parities. (orig.)

Reweighting QCD matrix-element and parton-shower calculations

Energy Technology Data Exchange (ETDEWEB)

Bothmann, Enrico; Schumann, Steffen [Universitaet Goettingen, II. Physikalisches Institut, Goettingen (Germany); Schoenherr, Marek [Universitaet Zuerich, Physik-Institut, Zuerich (Switzerland)

2016-11-15

We present the implementation and validation of the techniques used to efficiently evaluate parametric and perturbative theoretical uncertainties in matrix-element plus parton-shower simulations within the Sherpa event-generator framework. By tracing the full α{sub s} and PDF dependences, including the parton-shower component, as well as the fixed-order scale uncertainties, we compute variational event weights on-the-fly, thereby greatly reducing the computational costs to obtain theoretical-uncertainty estimates. (orig.)

Effects of quenching and partial quenching on penguin matrix elements

NARCIS (Netherlands)

Golterman, Maarten; Pallante, Elisabetta

2001-01-01

In the calculation of non-leptonic weak decay rates, a "mismatch" arises when the QCD evolution of the relevant weak hamiltonian down to hadronic scales is performed in unquenched QCD, but the hadronic matrix elements are then computed in (partially) quenched lattice QCD. This mismatch arises

A generalized Talmi-Moshinsky transformation for few-body and direct interaction matrix elements

International Nuclear Information System (INIS)

Tobocman, W.

1981-01-01

A set of basis states for use in evaluating matrix elements of few-body system operators is suggested. These basis states are products of harmonic oscillator wave functions having as arguments a set of Jacobi coordinates for the system. We show that these harmonic oscillator functions can be chosen in a manner that allows such a product to be expanded as a finite sum of the corresponding products for any other set of Jacobi coordinates. This result is a generalization of the Talmi-Moshinsky transformation for two equal-mass particles to a system of any number of particles of arbitrary masses. With the help of our method the multidimensional integral which must be performed to evaluate a few-body matrix element can be transformed into a sum of products of three dimensional integrals. The coefficients in such an expansion are generalized Talmi-Moshinsky coefficients. The method is tested by calculation of a matrix element for knockout scattering for a simple three-body-system. The results indicate that the method is a viable calculational tool. (orig.)

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 ...

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

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

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.

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)

The current matrix elements from HAL QCD method

Science.gov (United States)

Watanabe, Kai; Ishii, Noriyoshi

2018-03-01

HAL QCD method is a method to construct a potential (HAL QCD potential) that reproduces the NN scattering phase shift faithful to the QCD. The HAL QCD potential is obtained from QCD by eliminating the degrees of freedom of quarks and gluons and leaving only two particular hadrons. Therefor, in the effective quantum mechanics of two nucleons defined by HAL QCD potential, the conserved current consists not only of the nucleon current but also an extra current originating from the potential (two-body current). Though the form of the two-body current is closely related to the potential, it is not straight forward to extract the former from the latter. In this work, we derive the the current matrix element formula in the quantum mechanics defined by the HAL QCD potential. As a first step, we focus on the non-relativistic case. To give an explicit example, we consider a second quantized non-relativistic two-channel coupling model which we refer to as the original model. From the original model, the HAL QCD potential for the open channel is constructed by eliminating the closed channel in the elastic two-particle scattering region. The current matrix element formula is derived by demanding the effective quantum mechanics defined by the HAL QCD potential to respond to the external field in the same way as the original two-channel coupling model.

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.

An Experiment on the Carbonization of Fuel Compact Matrix Graphite for HTGR

International Nuclear Information System (INIS)

Lee, Young Woo; Kim, Joo Hyoung; Cho, Moon Sung

2012-01-01

The fuel element for HTGR is manufactured by mixing coated fuel particles with matrix graphite powder and forming into either pebble type or cylindrical type compacts depending on their use in different HTGR cores. The coated fuel particle, the so-called TRISO particle, consists of 500-μm spherical UO 2 particles coated with the low density buffer Pyrolytic Carbon (PyC) layer, the inner and outer high density PyC layer and SiC layer sandwiched between the two inner and outer PyC layers. The coated TRISO particles are mixed with a properly prepared matrix graphite powder, pressed into a spherical shape or a cylindrical compact, and finally heat-treated at about 1800 .deg. C. These fuel elements can have different sizes and forms of compact. The basic steps for manufacturing a fuel element include preparation of graphite matrix powder, over coating the fuel particles, mixing the fuel particles with a matrix powder, carbonizing green compact, and the final high-temperature heat treatment of the carbonized fuel compact. The carbonization is a process step where the binder that is incorporated during the matrix graphite powder preparation step is evaporated and the residue of the binder is carbonized during the heat treatment at about 1073 K, In order to develop a fuel compact fabrication technology, and for fuel matrix graphite to meet the required material properties, it is of extreme importance to investigate the relationship among the process parameters of the matrix graphite powder preparation, fabrication parameters of fuel element green compact and the carbonization condition, which has a strong influence on further steps and the material properties of fuel element. In this work, the carbonization behavior of green compact samples prepared from the matrix graphite powder mixtures with different binder materials was investigated in order to elucidate the behavior of binders during the carbonization heat treatment by analyzing the change in weight, density and its

Double β-decay nuclear matrix elements and lepton conservation

International Nuclear Information System (INIS)

Vergados, J.D.

1976-01-01

The nuclear matrix elements involved in the double β-decay of 48 Ca, 130 Te, and 128 Te were calculated using realistic nuclear interactions and shell model nuclear wave functions. The double doorway state is not appreciably mixed in the ground state of the final nuclei. So the ground state transitions contain a small fraction of the sum rule. A lepton nonconservation parameter eta -4 was deduced

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...

Validity of M-3Y force equivalent G-matrix elements for calculations of the nuclear structure in heavy mass region

International Nuclear Information System (INIS)

Cheng Lan; Huang Weizhi; Zhou Baosen

1996-01-01

Using the matrix elements of M-3Y force as the equivalent G-matrix elements, the spectra of 210 Pb, 206 Pb, 206 Hg and 210 Po are calculated in the framework of the Folded Diagram Method. The results show that such equivalent matrix elements are suitable for microscopic calculations of the nuclear structure in heavy mass region

Validity of the M-3Y force equivalent G-matrix element for the calculations of nuclear structure in the s-d shell

International Nuclear Information System (INIS)

Song Hong-qiu; Wang Zixing; Cai Yanhuang; Huang Weizhi

1987-01-01

The matrix elements of the M-3Y force are adopted as the equivalent G-matrix elements and the folded diagram method is used to calculate the spectra of 18 O and 18 F. The results show that the matrix elements of the M-3Y force as the equivalent G-matrix elements are suitable for microscopic calculations of the nuclei in the s-d shell

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)

3-Loop massive O(T2F) contributions to the DIS operator matrix element Agg

International Nuclear Information System (INIS)

Ablinger, J.; Schneider, C.; Bluemlein, J.; Freitas, A. de; Hasselhuhn, A.; Round, M.; Manteuffel, A. von

2014-09-01

Contributions to heavy flavour transition matrix elements in the variable flavour number scheme are considered at 3-loop order. In particular a calculation of the diagrams with two equal masses that contribute to the massive operator matrix element A (3) gg,Q is performed. In the Mellin space result one finds finite nested binomial sums. In x-space these sums correspond to iterated integrals over an alphabet containing also square-root valued letters.

SU(3) techniques for angular momentum projected matrix elements in multi-cluster problems

International Nuclear Information System (INIS)

Hecht, K.T.; Zahn, W.

1978-01-01

In the theory of integral transforms for the evaluation of the resonating group kernels needed for cluster model calculations, the evaluation of matrix elements in an angular momentum coupled basis has proved to be difficult for cluster problems involving more than two fragments. For multi-cluster wave functions SU(3) coupling and recoupling techniques can furnish a tool for the practical evaluation matrix elements in an angular momentum coupled basis if the several relative motion harmonic oscillator functions in Bargmann space have simple SU(3) coupling properties. The method is illustrated by a three-cluster problem, such as 12 C = α + α + α, involving three 1 S clusters. 2 references

The two-mass contribution to the three-loop pure singlet operator matrix element

Energy Technology Data Exchange (ETDEWEB)

Ablinger, J.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de; Schoenwald, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

2017-11-15

We present the two-mass QCD contributions to the pure singlet operator matrix element at three loop order in x-space. These terms are relevant for calculating the structure function F{sub 2}(x,Q{sup 2}) at O(α{sup 3}{sub s}) as well as for the matching relations in the variable flavor number scheme and the heavy quark distribution functions at the same order. The result for the operator matrix element is given in terms of generalized iterated integrals that include square root letters in the alphabet, depending also on the mass ratio through the main argument. Numerical results are presented.

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.

X-ray microanalysis of elements present in the matrix of cnidarian nematocysts.

Science.gov (United States)

Tardent, P; Zierold, K; Klug, M; Weber, J

1990-01-01

The composition and concentration of elements, in particular those of metallic cations, present in the intracapsular matrix and the wall of nematocysts of various cnidarian species have been recorded by means of X-ray microanalysis performed on 100nm thick cryosections. The predominant cation detected in the nematocyst matrix of the hydrozoan Podocoryne carnea (medusa), the scyphozoan Aurelia aurita (scyphopolyp) and the anthozoan Calliactis parasitica (tentacles and acontia) is K(+). Mg(2+) prevails in tentacular cysts of Anthopleura elegantissima, Actinia equina and Anemonia viridis, whereas, the acrorhagial cysts of A. elegantissima and A. equina contain Ca(2+) instead of Mg(2+). The acrorhagial cysts of A. viridis contain Mg(2+) like those of the tentacles. In the tentacular nematocysts of Podocoryne carnea polyps (Hydrozoa) on the other hand ambiguous element contents were found indicating that the cysts of this species has no preference for a particular cation. The high values of sulfur recorded in the matrix and particularly the wall of all the cysts are reflecting the presence of numerous protein disulfide bonds within the structural components (wall, shaft, tubule) of the nematocysts.

Effect of truncated cone roughness element density on hydrodynamic drag

Science.gov (United States)

Womack, Kristofer; Schultz, Michael; Meneveau, Charles

2017-11-01

An experimental study was conducted on rough-wall, turbulent boundary layer flow with roughness elements whose idealized shape model barnacles that cause hydrodynamic drag in many applications. Varying planform densities of truncated cone roughness elements were investigated. Element densities studied ranged from 10% to 79%. Detailed turbulent boundary layer velocity statistics were recorded with a two-component LDV system on a three-axis traverse. Hydrodynamic roughness length (z0) and skin-friction coefficient (Cf) were determined and compared with the estimates from existing roughness element drag prediction models including Macdonald et al. (1998) and other recent models. The roughness elements used in this work model idealized barnacles, so implications of this data set for ship powering are considered. This research was supported by the Office of Naval Research and by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program.

Analytical matrix elements of semifinite 2D two centre nuclear potential

International Nuclear Information System (INIS)

Niculescu, V. L. R.; Catana, S.; Catana, D.; Babin, V.

1998-01-01

In the present work we introduce a new 2D potential which is a symmetric double-well in one variable and with one centre in the other. The factorable potential matrix elements are expressed by analytical formulas. This implies a shorter computational time. (author)

Effects of quenching and partial quenching on QCD penguin matrix elements

NARCIS (Netherlands)

Golterman, Maarten; Pallante, Elisabetta

2002-01-01

We point out that chiral transformation properties of penguin operators change in the transition from unquenched to (partially) quenched QCD. The way in which this affects the lattice determination of weak matrix elements can be understood in the framework of (partially) quenched chiral perturbation

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.

Three loop massive operator matrix elements and asymptotic Wilson coefficients with two different masses

Directory of Open Access Journals (Sweden)

J. Ablinger

2017-08-01

Full Text Available Starting at 3-loop order, the massive Wilson coefficients for deep-inelastic scattering and the massive operator matrix elements describing the variable flavor number scheme receive contributions of Feynman diagrams carrying quark lines with two different masses. In the case of the charm and bottom quarks, the usual decoupling of one heavy mass at a time no longer holds, since the ratio of the respective masses, η=mc2/mb2∼1/10, is not small enough. Therefore, the usual variable flavor number scheme (VFNS has to be generalized. The renormalization procedure in the two-mass case is different from the single mass case derived in [1]. We present the moments N=2,4 and 6 for all contributing operator matrix elements, expanding in the ratio η. We calculate the analytic results for general values of the Mellin variable N in the flavor non-singlet case, as well as for transversity and the matrix element Agq(3. We also calculate the two-mass scalar integrals of all topologies contributing to the gluonic operator matrix element Agg. As it turns out, the expansion in η is usually inapplicable for general values of N. We therefore derive the result for general values of the mass ratio. From the single pole terms we derive, now in a two-mass calculation, the corresponding contributions to the 3-loop anomalous dimensions. We introduce a new general class of iterated integrals and study their relations and present special values. The corresponding functions are implemented in computer-algebraic form.

Matrix elements of vibration kinetic energy operator of tetrahedral molecules in non-orthogonal-dependent coordinates

Science.gov (United States)

Protasevich, Alexander E.; Nikitin, Andrei V.

2018-01-01

In this work, we propose an algorithm for calculating the matrix elements of the kinetic energy operator for tetrahedral molecules. This algorithm uses the dependent six-angle coordinates (6A) and takes into account the full symmetry of molecules. Unlike A.V. Nikitin, M. Rey, and Vl. G. Tyuterev who operate with the kinetic energy operator only in Radau orthogonal coordinates, we consider a general case. The matrix elements are shown to be a sum of products of one-dimensional integrals.

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

Analytical Expressions of Matrix Elements of Physical Quantities for Dirac Oscillator

Institute of Scientific and Technical Information of China (English)

LI Ning; JU Guo-Xing; REN Zhong-Zhou

2004-01-01

The analytical expressions of the matrix elements for physical quantities are obtained for the Dirac oscillator in two and three spatial dimensions. Their behaviour for the case of operator's square is discussed in details. The twodimensional Dirac oscillator has similar behavior to that for three-dimensional one.

Matching NLO parton shower matrix element with exact phase space case of $W\\to l\

CERN Document Server

Nanava, G; Was, Z

2010-01-01

In practical applications PHOTOS Monte Carlo is often used for simulation of QED effects in decay of intermediate particles and resonances. Generated in such a way that samples of events cover the whole bremsstrahlung phase space. With the help of selection cuts, experimental acceptance can be then taken into account. The program is based on exact multiphoton phase space. To evaluate the program precision it is necessary to control its matrix element. Generally it is obtained using iteration of the universal multidimensional kernel. In some cases it is however obtained from the exact first order matrix element. Then, as a consequence, all terms necessary for non-leading logarithms are taken into account. In the present paper we will focus on the decays W -> l nu and gamma^* -> pi^+ pi^-. The Born level cross sections for both processes approach zero in some points of the phase space. Process dependent, compensating weight is constructed to implement exact matrix element, but it will be recommended for use onl...

Matrix formulation of pebble circulation in the pebbed code

International Nuclear Information System (INIS)

Gougar, H.D.; Terry, W.K.; Ougouag, A.M.

2002-01-01

The PEBBED technique provides a foundation for equilibrium fuel cycle analysis and optimization in pebble-bed cores in which the fuel elements are continuously flowing and, if desired, recirculating. In addition to the modern analysis techniques used in or being developed for the code, PEBBED incorporates a novel nuclide-mixing algorithm that allows for sophisticated recirculation patterns using a matrix generated from basic core parameters. Derived from a simple partitioning of the pebble flow, the elements of the recirculation matrix are used to compute the spatially averaged density of each nuclide at the entry plane from the nuclide densities of pebbles emerging from the discharge conus. The order of the recirculation matrix is a function of the flexibility and sophistication of the fuel handling mechanism. This formulation for coupling pebble flow and neutronics enables core design and fuel cycle optimization to be performed by the manipulation of a few key core parameters. The formulation is amenable to modern optimization techniques. (author)

Quantum phase transitions and collective enhancement of level density in odd–A and odd–odd nuclei

Energy Technology Data Exchange (ETDEWEB)

Karampagia, S., E-mail: karampag@nscl.msu.edu [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Renzaglia, A. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States); Zelevinsky, V. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI 48824-1321 (United States); Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824-1321 (United States)

2017-06-15

The nuclear shell model assumes an effective mean-field plus interaction Hamiltonian in a specific configuration space. We want to understand how various interaction matrix elements affect the observables, the collectivity in nuclei and the nuclear level density for odd–A and odd–odd nuclei. Using the sd and pf shells, we vary specific groups of matrix elements and study the evolution of energy levels, transition rates and the level density. In all cases studied, a transition between a “normal” and a collective phase is induced, accompanied by an enhancement of the level density in the collective phase. In distinction to neighboring even–even nuclei, the enhancement of the level density is observed already at the transition point. The collective phase is reached when the single-particle transfer matrix elements are dominant in the shell model Hamiltonian, providing a sign of their fundamental role.

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

Program package for calculating matrix elements of two-cluster structures in nuclei

International Nuclear Information System (INIS)

Krivec, R.; Mihailovic, M.V.; Kernforschungszentrum Karlsruhe G.m.b.H.

1982-01-01

Matrix elements of operators between Slater determinants of two-cluster structures must be expanded into partial waves for the purpose of angular momentum projection. The expansion coefficients contain integrals over the spherical angles theta and phi. (orig.)

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

Determinant representations of spin-operator matrix elements in the XX spin chain and their applications

Science.gov (United States)

Wu, Ning

2018-01-01

For the one-dimensional spin-1/2 XX model with either periodic or open boundary conditions, it is shown by using a fermionic approach that the matrix element of the spin operator Sj- (Sj-Sj'+ ) between two eigenstates with numbers of excitations n and n +1 (n and n ) can be expressed as the determinant of an appropriate (n +1 )×(n +1 ) matrix whose entries involve the coefficients of the canonical transformations diagonalizing the model. In the special case of a homogeneous periodic XX chain, the matrix element of Sj- reduces to a variant of the Cauchy determinant that can be evaluated analytically to yield a factorized expression. The obtained compact representations of these matrix elements are then applied to two physical scenarios: (i) Nonlinear optical response of molecular aggregates, for which the determinant representation of the transition dipole matrix elements between eigenstates provides a convenient way to calculate the third-order nonlinear responses for aggregates from small to large sizes compared with the optical wavelength; and (ii) real-time dynamics of an interacting Dicke model consisting of a single bosonic mode coupled to a one-dimensional XX spin bath. In this setup, full quantum calculation up to N ≤16 spins for vanishing intrabath coupling shows that the decay of the reduced bosonic occupation number approaches a finite plateau value (in the long-time limit) that depends on the ratio between the number of excitations and the total number of spins. Our results can find useful applications in various "system-bath" systems, with the system part inhomogeneously coupled to an interacting XX chain.

Measurement of the CKM matrix element vertical stroke Vts vertical stroke 2

International Nuclear Information System (INIS)

Unverdorben, Christopher Gerhard

2015-03-01

This is the first direct measurement of the CKM matrix element vertical stroke V ts vertical stroke, using data collected by the ATLAS detector in 2012 at √(s)= 8 TeV pp-collisions with a total integrated luminosity of 20.3 fb -1 . The analysis is based on 112 171 reconstructed t anti t candidate events in the lepton+jets channel, having a purity of 90.0 %. 183 t anti t→W + W - b anti s decays are expected (charge conjugation implied), which are available for the extraction of the CKM matrix element vertical stroke V ts vertical stroke 2 . To identify these rare decays, several observables are examined, such as the properties of jets, tracks and of b-quark identification algorithms. Furthermore, the s-quark hadrons K 0 s are considered, reconstructed by a kinematic fit. The best observables are combined in a multivariate analysis, called ''boosted decision trees''. The responses from Monte Carlo simulations are used as templates for a fit to data events yielding a significance value of 0.7σ for t→s+W decays. An upper limit of vertical stroke V ts vertical stroke 2 <1.74 % at 95 % confidence level is set, including all systematic and statistical uncertainties. So this analysis, using a direct measurement of the CKM matrix element vertical stroke V ts vertical stroke 2 , provides the best direct limit on vertical stroke V ts vertical stroke 2 up to now.

Study on thermal conductivity of HTR spherical fuel element matrix graphite

International Nuclear Information System (INIS)

Zhang Kaihong; Liu Xiaoxue; Zhao Hongsheng; Li Ziqiang; Tang Chunhe

2014-01-01

Taking the spherical fuel element matrix graphite ball samples as an example, this paper introduced the principle and method of laser thermal conductivity meter, as well as the specific heat capacity, and analyzed the effects of different test methods and sampling methods on the thermal conductivities at 1000 ℃ of graphite material. The experimental results show that the thermal conductivities of graphite materials tested by synchronous thermal analyzer combining with laser thermal conductivity meter were different from that directly by laser thermal conductivity meter, the former was more reliable and accurate than the later; When sampling from different positions, central samples had higher thermal conductivities than edging samples, which was related to the material density and porosity at the different locations; the thermal conductivities had obvious distinction between samples from different directions, which was because the layer structure of polycrystalline graphite preferred orientation under pressure, generally speaking, the thermal conductivities perpendicular to the molding direction were higher than that parallel to the molding direction. Besides this, the test results show that the thermal conductivities of all the graphite material samples were greater than 30 W/(m (K), achieving the thermal performance index of high temperature gas cooled reactor. (authors)

Calculations of hadronic weak matrix elements: A status report

International Nuclear Information System (INIS)

Sharpe, S.R.

1988-01-01

I review the calculations of hadronic matrix elements of the weak Hamiltonian. My major emphasis is on lattice calculations. I discuss the application to weak decay constants (f/sub K/, f/sub D/, f/sub B/), K 0 /minus/ /bar K/sup 0// and B 0 /minus/ /bar B/sup 0// mixing, K → ππ decays, and the CP violation parameters ε and ε'. I close with speculations on future progress. 57 refs., 4 figs., 2 tabs

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.

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.

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

Three loop massive operator matrix elements and asymptotic Wilson coefficients with two different masses

Energy Technology Data Exchange (ETDEWEB)

Ablinger, J.; Hasselhuhn, A.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, F. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC); IHES, Bures-sur-Yvette (France)

2017-05-15

Starting at 3-loop order, the massive Wilson coefficients for deep-inelastic scattering and the massive operator matrix elements describing the variable flavor number scheme receive contributions of Feynman diagrams carrying quark lines with two different masses. In the case of the charm and bottom quarks, the usual decoupling of one heavy mass at a time no longer holds, since the ratio of the respective masses, η=m{sup 2}{sub c}/m{sup 2}{sub b}∝1/10, is not small enough. Therefore, the usual variable flavor number scheme (VFNS) has to be generalized. The renormalization procedure in the two-mass case is different from the single mass case derived earlier (I. Bierenbaum, J: Bluemlein, S. Klein, 2009). We present the moments N=2,4 and 6 for all contributing operator matrix elements, expanding in the ratio η. We calculate the analytic results for general values of the Mellin variable N in the flavor non-singlet case, as well as for transversity and the matrix element A{sup (3)}{sub gq}. We also calculate the two-mass scalar integrals of all topologies contributing to the gluonic operator matrix element A{sub gg}. As it turns out, the expansion in η is usually inapplicable for general values of N. We therefore derive the result for general values of the mass ratio. From the single pole terms we derive, now in a two-mass calculation, the corresponding contributions to the 3-loop anomalous dimensions. We introduce a new general class of iterated integrals and study their relations and present special values. The corresponding functions are implemented in computer-algebraic form.

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

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

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

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)

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

The scattering matrix element of the three body reactive collision

International Nuclear Information System (INIS)

Morsy, M.W.; Hilal, A.A.; El-Sabagh, M.A.

1980-08-01

The optical model approximation has been applied to a previously derived set of coupled equations representing the dynamics of the three-body reactive scattering. The Schroedinger equation obtained describing the scattering problem has then been solved by inserting the effective mass approximation. The asymptotic requirements for both the entrance and exit channels, respectively, have been supplied to give the scattering matrix element of the reactive collision. (author)

Calculation of hadronic matrix elements using lattice QCD

International Nuclear Information System (INIS)

Gupta, R.

1993-01-01

The author gives a brief introduction to the scope of lattice QCD calculations in his effort to extract the fundamental parameters of the standard model. This goal is illustrated by two examples. First the author discusses the extraction of CKM matrix elements from measurements of form factors for semileptonic decays of heavy-light pseudoscalar mesons such as D → Keν. Second, he presents the status of results for the kaon B parameter relevant to CP violation. He concludes the talk with a short outline of his experiences with optimizing QCD codes on the CM5

Calculation of hadronic matrix elements using lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Gupta, R.

1993-08-01

The author gives a brief introduction to the scope of lattice QCD calculations in his effort to extract the fundamental parameters of the standard model. This goal is illustrated by two examples. First the author discusses the extraction of CKM matrix elements from measurements of form factors for semileptonic decays of heavy-light pseudoscalar mesons such as D {yields} Ke{nu}. Second, he presents the status of results for the kaon B parameter relevant to CP violation. He concludes the talk with a short outline of his experiences with optimizing QCD codes on the CM5.

Second level semi-degenerate fields in W{sub 3} Toda theory: matrix element and differential equation

Energy Technology Data Exchange (ETDEWEB)

Belavin, Vladimir [I.E. Tamm Department of Theoretical Physics, P.N. Lebedev Physical Institute,Leninsky Avenue 53, 119991 Moscow (Russian Federation); Department of Quantum Physics, Institute for Information Transmission Problems,Bolshoy Karetny per. 19, 127994 Moscow (Russian Federation); Moscow Institute of Physics and Technology,Dolgoprudnyi, 141700 Moscow region (Russian Federation); Cao, Xiangyu [LPTMS, CNRS (UMR 8626), Université Paris-Saclay,15 rue Georges Clémenceau, 91405 Orsay (France); Estienne, Benoit [LPTHE, CNRS and Université Pierre et Marie Curie, Sorbonne Universités,4 Place Jussieu, 75252 Paris Cedex 05 (France); Santachiara, Raoul [LPTMS, CNRS (UMR 8626), Université Paris-Saclay,15 rue Georges Clémenceau, 91405 Orsay (France)

2017-03-02

In a recent study we considered W{sub 3} Toda 4-point functions that involve matrix elements of a primary field with the highest-weight in the adjoint representation of sl{sub 3}. We generalize this result by considering a semi-degenerate primary field, which has one null vector at level two. We obtain a sixth-order Fuchsian differential equation for the conformal blocks. We discuss the presence of multiplicities, the matrix elements and the fusion rules.

Neutrinoless double-β decay matrix elements in large shell-model spaces with the generator-coordinate method

Science.gov (United States)

Jiao, C. F.; Engel, J.; Holt, J. D.

2017-11-01

We use the generator-coordinate method (GCM) with realistic shell-model interactions to closely approximate full shell-model calculations of the matrix elements for the neutrinoless double-β decay of 48Ca, 76Ge, and 82Se. We work in one major shell for the first isotope, in the f5 /2p g9 /2 space for the second and third, and finally in two major shells for all three. Our coordinates include not only the usual axial deformation parameter β , but also the triaxiality angle γ and neutron-proton pairing amplitudes. In the smaller model spaces our matrix elements agree well with those of full shell-model diagonalization, suggesting that our Hamiltonian-based GCM captures most of the important valence-space correlations. In two major shells, where exact diagonalization is not currently possible, our matrix elements are only slightly different from those in a single shell.

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.

Solution of the inverse scattering problem at fixed energy with non-physical S matrix elements

International Nuclear Information System (INIS)

Eberspaecher, M.; Amos, K.; Apagyi, B.

1999-12-01

The quantum mechanical inverse elastic scattering problem is solved with the modified Newton-Sabatier method. A set of S matrix elements calculated from a realistic analytic optical model potential serves as input data. It is demonstrated that the quality of the inversion potential can be improved by including non-physical S matrix elements to half, quarter and eighth valued partial waves if the original set does not contain enough information to determine the interaction potential. We demonstrate that results can be very sensitive to the choice of those non-physical S matrix values both with the analytic potential model and in a real application in which the experimental cross section for the symmetrical scattering system of 12 C+ 12 C at E=7.998 MeV is analyzed

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.

Bessel equation as an operator identity's matrix element in quantum mechanics

International Nuclear Information System (INIS)

Fan Hongyi; Li Chao

2004-01-01

We study the well-known Bessel equation itself in the framework of quantum mechanics. We show that the Bessel equation is a spontaneous result of an operator identity's matrix element in some definite entangled state representations, which is a fresh look. Application of this operator formalism in the Hankel transform of Laplace equation is presented

Lattice calculation of hadronic weak matrix elements: the ΔI = 1/2 rule

International Nuclear Information System (INIS)

Bernard, C.

1984-01-01

A lattice Monte Carlo technique for calculating the matrix elements of weak operators is described. Emphasis is placed on the ΔI = 1/2 rule, which is such a large effect that the significant errors associated with current lattice methods (statistics, finite size, finite lattice spacing, extrapolations in quark mass, etc.) should not disguise the important qualitative features. A detailed exposition of the analytic bases for the calculation is given, and an attempt is made to avoid the questionable phenomenological assumptions (such as some of those inherent in the Penguin approach) which were necessary when matrix elements could not be calculated. The current state of the calculation-in-progress is described. This work is being done in collaboration with A. Soni, T. Draper, G. Hockney, and M. Rushton

Short-distance matrix elements for $D$-meson mixing for 2+1 lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Chang, Chia Cheng [Univ. of Illinois, Champaign, IL (United States)

2015-01-01

We study the short-distance hadronic matrix elements for D-meson mixing with partially quenched N_f = 2+1 lattice QCD. We use a large set of the MIMD Lattice Computation Collaboration's gauge configurations with a² tadpole-improved staggered sea quarks and tadpole-improved Lüscher-Weisz gluons. We use the a² tadpole-improved action for valence light quarks and the Sheikoleslami-Wohlert action with the Fermilab interpretation for the valence charm quark. Our calculation covers the complete set of five operators needed to constrain new physics models for D-meson mixing. We match our matrix elements to the MS-NDR scheme evaluated at 3 GeV. We report values for the Beneke-Buchalla-Greub-Lenz-Nierste choice of evanescent operators.

Comparison of Material Behavior of Matrix Graphite for HTGR Fuel Elements upon Irradiation: A literature Survey

Energy Technology Data Exchange (ETDEWEB)

Lee, Young-Woo; Yeo, Seunghwan; Cho, Moon Sung [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2015-05-15

The fuel elements for the HTGRs (i.e., spherical fuel element in pebble-bed type core design and fuel compact in prismatic core design) consists of coated fuel particles dispersed and bonded in a closely packed array within a carbonaceous matrix. This matrix is generally made by mixing fully graphitized natural and needle- or pitchcoke originated powders admixed with a binder material (pitch or phenolic resin), The resulting resinated graphite powder mixture, when compacted, may influence a number of material properties as well as its behavior under neutron irradiation during reactor operation. In the fabrication routes of these two different fuel element forms, different consolidation methods are employed; a quasi-isostatic pressing method is generally adopted to make pebbles while fuel compacts are fabricated by uni-axial pressing mode. The result showed that the hardness values obtained from the two directions showed an anisotropic behavior: The values obtained from the perpendicular section showed much higher micro hardness (176.6±10.5MPa in average) than from the parallel section ((125.6±MPa in average). This anisotropic behavior was concluded to be related to the microstructure of the matrix graphite. This may imply that the uni-axial pressing method to make compacts influence the microstructure of the matrix and hence the material properties of the matrix graphite.

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

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.

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...

The Dynamic Response of an Euler-Bernoulli Beam on an Elastic Foundation by Finite Element Analysis using the Exact Stiffness Matrix

International Nuclear Information System (INIS)

Kim, Jeong Soo; Kim, Moon Kyum

2012-01-01

In this study, finite element analysis of beam on elastic foundation, which received great attention of researchers due to its wide applications in engineering, is performed for estimating dynamic responses of shallow foundation using exact stiffness matrix. First, element stiffness matrix based on the closed solution of beam on elastic foundation is derived. Then, we performed static finite element analysis included exact stiffness matrix numerically, comparing results from the analysis with some exact analysis solutions well known for verification. Finally, dynamic finite element analysis is performed for a shallow foundation structure under rectangular pulse loading using trapezoidal method. The dynamic analysis results exist in the reasonable range comparing solution of single degree of freedom problem under a similar condition. The results show that finite element analysis using exact stiffness matrix is evaluated as a good tool of estimating the dynamic response of structures on elastic foundation.

Weak matrix elements efforts on the lattice: Status and prospects

International Nuclear Information System (INIS)

Soni, A.

1995-01-01

Lattice approach to weak matrix elements is reviewed. Recent progress in treating heavy quarks on the lattice is briefly discussed. Illustrative sample of results obtained so far is given. Among them I elaborate on B K , line-integral B and B → K* γ . Experimental implications especially with regard to constraints on the Standard Model (i.e. Wolfenstein) parameters, V td measurements and expectations for B s -bar B s , oscillations are briefly discussed

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...

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.

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.

Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

Science.gov (United States)

Angeli, C.; Cimiraglia, R.

2013-02-01

A symbolic program performing the Formal Reduction of Density Operators (FRODO), formerly developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme, has been rewritten in Mathematica. New version : A program summaryProgram title: FRODO Catalogue identifier: ADV Y _v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVY_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 3878 No. of bytes in distributed program, including test data, etc.: 170729 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which the Mathematica computer algebra system can be installed Operating system: Linux Classification: 5 Catalogue identifier of previous version: ADV Y _v1_0 Journal reference of previous version: Comput. Phys. Comm. 171(2005)63 Does the new version supersede the previous version?: No Nature of problem. In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICFs) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The previous formulation of such matrix elements in the MuPAD computer algebra system, has been rewritten using Mathematica. Solution method: The method adopted consists in successively eliminating all occurrences of inactive orbital indices (core and virtual) from the products of excitation operators which appear in the definition of the ICFs and in the electronic Hamiltonian expressed in the second quantization formalism. Reasons for new version: Some years ago we published in this journal a couple of papers [1, 2

Exact and approximate exchange potentials investigated in terms of their matrix elements with the Kohn-Sham orbitals

International Nuclear Information System (INIS)

Holas, A.; Cinal, M.

2005-01-01

Three approximate exchange potentials of high accuracy v x Y (r), Y=A,B,C, for the density-functional theory applications are obtained by replacing the matrix elements of the exact potential between the Kohn-Sham (KS) orbitals with such elements of the Fock exchange operator (within the virtual-occupied subset only) in three representations found for any local potential. A common identity is the base of these representations. The potential v x C happens to be the same as that derived by Harbola and Sahni, and v x A as that derived by Gritsenko and Baerends, and Della Sala and Goerling. The potentials obtained can be expressed in terms of occupied KS orbitals only. At large r, their asymptotic form -1/r is the same as that of the exact potential. The high quality of these three approximations is demonstrated by direct comparison with the exact potential and using various consistency tests. A common root established for the three approximations could be helpful in finding new and better approximations via modification of identities employed in the present investigation

LIBS detection of heavy metal elements in liquid solutions by using wood pellet as sample matrix

International Nuclear Information System (INIS)

Wen Guanhong; Sun Duixiong; Su Maogen; Dong Chenzhong

2013-01-01

Laser-induced breakdown spectroscopy (LIBS) has been applied to the analysis of heavy metals in liquid sample. A new approach was presented to improve the detection limit and minimize the sample matrix effects, in which dried wood pellets absorbed the given amounts of Cr standard solutions and then were baked because they have stronger and rapid absorption properties for liquid samples as well as simple elemental compositions. In this work, we have taken a typical heavy metal Cr element as an example, and investigated the spectral feasibility of Cr solutions and dried wood pellets before and after absorbing Cr solutions at the same experimental conditions, respectively. The results were demonstrated to successfully produce a superior analytical response for heavy metal elements by using wood pellet as sample matrix according to obtained LOD of 0.07 ppm for Cr element in solutions. (author)

LIBS Detection of Heavy Metal Elements in Liquid Solutions by Using Wood Pellet as Sample Matrix

International Nuclear Information System (INIS)

Wen Guanhong; Sun Duixiong; Su Maogen; Dong Chenzhong

2014-01-01

Laser-induced breakdown spectroscopy (LIBS) has been applied to the analysis of heavy metals in liquid samples. A new approach was presented to lower the limit of detection (LOD) and minimize the sample matrix effects, in which dried wood pellets absorbed the given amounts of Cr standard solutions and then were baked because they have stronger and rapid absorption properties for liquid samples as well as simple elemental compositions. In this work, we have taken a typical heavy metal Cr element as an example, and investigated the spectral feasibility of Cr solutions and dried wood pellets before and after absorbing Cr solutions at the same experimental conditions. The results were demonstrated to successfully produce a superior analytical response for heavy metal elements by using wood pellet as sample matrix according to the obtained LOD of 0.07 ppm for Cr element in solutions

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

Development of a diffuse element matrix in 'planar' technology. A particular application: logical gate with coupled emitter

International Nuclear Information System (INIS)

Rousseau, P.

1968-01-01

In a first part, after a brief recall concerning 'planar' technology we discuss the various parasitic elements associated with integrated circuits components. Mathematical formulae of these elements are derived. In a second part, we present a matrix of 22 transistors and 12 resistors which has been realized. This matrix enables the integration of the major part of nuclear circuits. Some of the obtained circuits are shown, particularly an emitter coupled logic gate which presents good electrical behaviour. (author) [fr

Calculation of the Cholesky factor directly from the stiffness matrix of the structural element

International Nuclear Information System (INIS)

Prates, C.L.M.; Soriano, H.L.

1978-01-01

The analysis of the structures of nuclear power plants requires the evaluation of the internal forces. This is attained by the solution of a system of equations. This solution takes most of the computing time and memory. One of the ways it can be achieved is based on the Cholesky factor. The structural matrix of the coeficients is transformed into an upper triangular matrix by the Cholesky decomposition. Cholesky factor can be obtained directly from the stiffness matrix of the structural element. The result can thus be obtained in a more precise and quick way. (Author)

1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY

DEFF Research Database (Denmark)

Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.

1992-01-01

A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... to the full configuration interaction limit. Comparisons are made with state-averaged MCSCF results for MgH2 and finite-difference configuration interaction by perturbation with multiconfigurational zeroth-order wave function reflected by interactive process (CIPSI) results for BH....

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

International Nuclear Information System (INIS)

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

1986-01-01

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

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

Two-loop massive operator matrix elements for polarized and unpolarized deep-inelastic scattering

Energy Technology Data Exchange (ETDEWEB)

Bierenbaum, I.; Bluemlein, J.; Klein, S.

2007-06-15

The O({alpha}{sup 2}{sub s}) massive operator matrix elements for unpolarized and polarized heavy flavor production at asymptotic values Q{sup 2} >> m{sup 2} are calculated in Mellin space without applying the integration-by-parts method. (orig.)

Diagrammatic technique for calculating matrix elements of collective operators in superradiance

International Nuclear Information System (INIS)

Lee, C.T.

1975-01-01

Adopting the so-called ''genealogical construction,'' one can express the eigenstates of collective operators corresponding to a specified mode for an N-atom system in terms of those for an (N-1) -atom system. Using these Dicke states as bases and using the Wigner-Eckart theorem, a matrix element of a collective operator of an arbitrary mode can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME is obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups is then introduced. This gives a simple and systematic way of calculating the RME. This method is especially useful when the cooperation number r is close to N/2, where almost exact asymptotic expressions can be obtained easily. The result shows explicitly the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes. This clears up the chief difficulty encountered in the Dicke-Schwendimann approach to the problem of N two-level atoms, spread over large regions, interacting with a multimode radiation field

Closed form for two-photon free-free transition matrix elements

Energy Technology Data Exchange (ETDEWEB)

Karule, Erna E-mail: karule@latnet.lv

2000-08-01

Two-photon free-free transitions happen in the multiphoton ionization with more than one excess photon and in Bremsstrahlung. Up to now, the configuration space free-free transition amplitudes have not been written in closed form. We propose a modified Coulomb Green's function (CGF) Sturm ian expansion which allows one to obtain expressions for two-photon radial transition matrix elements in the closed form which are easy to continue analytically to calculate free-free transitions in H.

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.

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.

Modal density of rectangular structures in a wide frequency range

Science.gov (United States)

Parrinello, A.; Ghiringhelli, G. L.

2018-04-01

A novel approach to investigate the modal density of a rectangular structure in a wide frequency range is presented. First, the modal density is derived, in the whole frequency range of interest, on the basis of sound transmission through the infinite counterpart of the structure; then, it is corrected by means of the low-frequency modal behavior of the structure, taking into account actual size and boundary conditions. A statistical analysis reveals the connection between the modal density of the structure and the transmission of sound through its thickness. A transfer matrix approach is used to compute the required acoustic parameters, making it possible to deal with structures having arbitrary stratifications of different layers. A finite element method is applied on coarse grids to derive the first few eigenfrequencies required to correct the modal density. Both the transfer matrix approach and the coarse grids involved in the finite element analysis grant high efficiency. Comparison with alternative formulations demonstrates the effectiveness of the proposed methodology.

Single top quark production and Vtb CKM matrix element measurement in high energy e+e- collisions

International Nuclear Information System (INIS)

Dokholyan, N.V.; Jikia, G.V.

1993-01-01

The new method of determination of CKM mixing matrix element V tb has been proposed. It has been shown, that at the future colliders one will measure the tb-mixing element with the accuracy 12 - 28%. 16 refs., 6 figs., 1 tab

Measurements of the CKM matrix element V(cb)

CERN Document Server

Di Ciaccio, L

1996-01-01

A review of the measurements of the element V ch of the CabibboKobayashi-Maskawa matrix is presented. The experimental results discussed here are based on the selection of the decays B -t D' lv and on the study of the differential decay rate as a function of the momentum transfer from the B to D' particle. This method allows to measure IV chi with a reduced model dependence. This review describes mainly the most recent analyses which have been performed by the LEP Collaborations. The IVcbl determination based on the inclusive semileptonic decay width of the B hadrons is also shortly presented. The results obtained with these two methods are averaged and prospects for the future are discussed

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

Uranium density reduction on fuel element side plates assessment

International Nuclear Information System (INIS)

Rios, Ilka A.; Andrade, Delvonei A.; Domingos, Douglas B.; Umbehaun, Pedro E.

2011-01-01

During operation of IEA-R1 research reactor, located at Instituto de Pesquisas Energeticas e Nucleares, IPEN - CNEN/SP, an abnormal oxidation on some fuel elements was noted. It was also verified, among the possible causes of the problem, that the most likely one was insufficient cooling of the elements in the core. One of the propositions to solve or minimize the problem is to reduce uranium density on fuel elements side plates. In this paper, the influence of this change on neutronic and thermal hydraulic parameters for IEA-R1 reactor is verified by simulations with the codes HAMMER and CITATION. Results are presented and discussed. (author)

Uranium density reduction on fuel element side plates assessment

Energy Technology Data Exchange (ETDEWEB)

Rios, Ilka A. [Centro Tecnologico da Marinha em Sao Paulo (CTMSP), Sao Paulo, SP (Brazil); Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Andrade, Delvonei A.; Domingos, Douglas B.; Umbehaun, Pedro E. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2011-07-01

During operation of IEA-R1 research reactor, located at Instituto de Pesquisas Energeticas e Nucleares, IPEN - CNEN/SP, an abnormal oxidation on some fuel elements was noted. It was also verified, among the possible causes of the problem, that the most likely one was insufficient cooling of the elements in the core. One of the propositions to solve or minimize the problem is to reduce uranium density on fuel elements side plates. In this paper, the influence of this change on neutronic and thermal hydraulic parameters for IEA-R1 reactor is verified by simulations with the codes HAMMER and CITATION. Results are presented and discussed. (author)

Structure of the two-neutrino double-β decay matrix elements within perturbation theory

Science.gov (United States)

Štefánik, Dušan; Šimkovic, Fedor; Faessler, Amand

2015-06-01

The two-neutrino double-β Gamow-Teller and Fermi transitions are studied within an exactly solvable model, which allows a violation of both spin-isospin SU(4) and isospin SU(2) symmetries, and is expressed with generators of the SO(8) group. It is found that this model reproduces the main features of realistic calculation within the quasiparticle random-phase approximation with isospin symmetry restoration concerning the dependence of the two-neutrino double-β decay matrix elements on isovector and isoscalar particle-particle interactions. By using perturbation theory an explicit dependence of the two-neutrino double-β decay matrix elements on the like-nucleon pairing, particle-particle T =0 and T =1 , and particle-hole proton-neutron interactions is obtained. It is found that double-β decay matrix elements do not depend on the mean field part of Hamiltonian and that they are governed by a weak violation of both SU(2) and SU(4) symmetries by the particle-particle interaction of Hamiltonian. It is pointed out that there is a dominance of two-neutrino double-β decay transition through a single state of intermediate nucleus. The energy position of this state relative to energies of initial and final ground states is given by a combination of strengths of residual interactions. Further, energy-weighted Fermi and Gamow-Teller sum rules connecting Δ Z =2 nuclei are discussed. It is proposed that these sum rules can be used to study the residual interactions of the nuclear Hamiltonian, which are relevant for charge-changing nuclear transitions.

Two-loop operator matrix elements for massive fermionic local twist-2 operators in QED

International Nuclear Information System (INIS)

Bluemlein, J.; Freitas, A. de; Universidad Simon Bolivar, Caracas; Neerven, W.L. van

2011-11-01

We describe the calculation of the two--loop massive operator matrix elements with massive external fermions in QED. We investigate the factorization of the O(α 2 ) initial state corrections to e + e - annihilation into a virtual boson for large cms energies s >>m 2 e into massive operator matrix elements and the massless Wilson coefficients of the Drell-Yan process adapting the color coefficients to the case of QED, as proposed by F. A. Berends et. al. (Nucl. Phys. B 297 (1988)429). Our calculations show explicitly that the representation proposed there works at one-loop order and up to terms linear in ln (s/m 2 e ) at two-loop order. However, the two-loop constant part contains a few structural terms, which have not been obtained in previous direct calculations. (orig.)

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L =1

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-01

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L =1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

Energy and energy gradient matrix elements with N-particle explicitly correlated complex Gaussian basis functions with L=1.

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2008-03-21

In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for various matrix elements with these basis functions including the overlap, kinetic energy, and potential energy (Coulomb interaction) matrix elements, as well as matrix elements of other quantities. The derivatives of the overlap, kinetic, and potential energy integrals with respect to the Gaussian exponential parameters are also derived and used to calculate the energy gradient. All the derivations are performed using the formalism of the matrix differential calculus that facilitates a way of expressing the integrals in an elegant matrix form, which is convenient for the theoretical analysis and the computer implementation. The new method is tested in calculations of two systems: the lowest P state of the beryllium atom and the bound P state of the positronium molecule (with the negative parity). Both calculations yielded new, lowest-to-date, variational upper bounds, while the number of basis functions used was significantly smaller than in previous studies. It was possible to accomplish this due to the use of the analytic energy gradient in the minimization of the variational energy.

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.

Constraints on parity-mixing matrix elements from hard-pion exchange corrections to first-forbidden beta decays

International Nuclear Information System (INIS)

Kirchbach, M.

1986-01-01

In this paper the experience in extracting the value of the weak pion-nucleon coupling constant f/sub π//sup l/ from the parity-mixing matrix element + , T = 1; 1.042 MeV | V/sub PNC/ | O - , T = 0; 1.081 MeV> in 18 F is summarized with the aim to reveal some sources of uncertainties of the models exploited. We show that beyond of the long wavelenth approximation and in treating non-soft pion corrections to the two-body nuclear chiral charge density an upper bound for f/sub π//sup l/ is obtained which is about two times smaller as compared to results of previous analyses of similar character. Finally, we accentuate on the importance of the heavy-meson exchanges in the weak NN-potential for understanding recent measurement results of f/sub π//sup l/ which strongly deviate from earlier data. (author)

Bivariate- distribution for transition matrix elements in Breit-Wigner to Gaussian domains of interacting particle systems.

Science.gov (United States)

Kota, V K B; Chavda, N D; Sahu, R

2006-04-01

Interacting many-particle systems with a mean-field one-body part plus a chaos generating random two-body interaction having strength lambda exhibit Poisson to Gaussian orthogonal ensemble and Breit-Wigner (BW) to Gaussian transitions in level fluctuations and strength functions with transition points marked by lambda = lambda c and lambda = lambda F, respectively; lambda F > lambda c. For these systems a theory for the matrix elements of one-body transition operators is available, as valid in the Gaussian domain, with lambda > lambda F, in terms of orbital occupation numbers, level densities, and an integral involving a bivariate Gaussian in the initial and final energies. Here we show that, using a bivariate-t distribution, the theory extends below from the Gaussian regime to the BW regime up to lambda = lambda c. This is well tested in numerical calculations for 6 spinless fermions in 12 single-particle states.

Three loop contributions to the matrix elements in the variable flavor number scheme

Energy Technology Data Exchange (ETDEWEB)

Bluemlein, Johannes; Hasselhuhn, Alexander [DESY (Germany); Schneider, Carsten [RISC, JKU Linz (Austria)

2012-07-01

The variable flavor number scheme may be used to describe parton distributions in the transition region in which one heavy quark gradually becomes a light flavor. We present first three-loop results to the massive operator matrix elements A{sub gg} and A{sub gq} for the contributions due to bubble topologies {proportional_to}T{sub F}{sup 2} n{sub f} at general values of the Mellin variable N. The calculation has been performed using higher transcendental functions and by applying modern summation technologies encoded in the package Sigma. These massive operator matrix elements describe the universal contributions in the matching of different flavor sectors, which are the logarithmic and constant contributions in the ratio of m{sup 2}{sub H}/Q{sup 2}, with Q{sup 2} the virtuality and m{sub H} the respective heavy quark mass. The framework allows to derive heavy quark parton distributions which are of relevance for calculating specific processes at hadron-hadron colliders.

Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

International Nuclear Information System (INIS)

Martini, Till; Uwer, Peter

2015-01-01

In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e"+e"− annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

Damage analysis of fiber reinforced resin matrix composites irradiated by CW laser

International Nuclear Information System (INIS)

Wan Hong; Hu Kaiwei; Mu Jingyang; Bai Shuxin

2008-01-01

In this paper, the damage modes of the carbon fiber and the glass fiber reinforced epoxy or bakelite resin matrix composites irradiated by CW laser under different power densities were analyzed, and the changes of the microstructure and the tensile strength of the composites were also researched. When the resin matrix composites were radiated at a power density more than 0.1 kW/cm 2 , the matrix would be decomposed and the tensile properties of the radiated samples were lost over 30% while the carbon fiber hardly damaged and the glass fiber melted. When the power density of the laser was raised to 1 kW/cm 2 , the matrix burned violently and the carbon fiber cloth began to split with some carbon fiber being fractured, therefore, the fracture strength of the radiated sample lost over 80%. The higher the power density of radiation was, the more serious the damage of the sample was. It was also found that the difference of the matrixes had little effect on the damage extent of the composites. The influence of the radiation density on the temperature of the radiated surface of the carbon/resin composite was numerically calculated by ANSYS finite element software and the calculation results coincided with the damage mode of the radiated composites. (authors)

Something different - caching applied to calculation of impedance matrix elements

CSIR Research Space (South Africa)

Lysko, AA

2012-09-01

Full Text Available of the multipliers, the approximating functions are used any required parameters, such as input impedance or gain pattern etc. The method is relatively straightforward but, especially for small to medium matrices, requires spending time on filling... of the computing the impedance matrix for the method of moments, or a similar method, such as boundary element method (BEM) [22], with the help of the flowchart shown in Figure 1. Input Parameters (a) Search the cached data for a match (b) A match found...

Effect of constituent elements in wood on X-ray densitometry measurements

International Nuclear Information System (INIS)

Kouris, K.; Tout, R.E.; Gilboy, W.B.; Spyrou, N.M.

1981-01-01

Small concentrations of elements introduced into a wood matrix have been shown by calculation to measurably influence the photon mass attenuation coefficient although the corresponding changes in the physical density are negligible. This has implications in dendrochronology where the interpretation of densitometric data is based on X-ray radiographs of wood. The magnitude of such effects has been evaluated for selected elements by simulating various botanical matrices. Significant matrix to matrix differences in the mass attenuation coefficient, in the energy range of interest (5 to 25 keV), have been established as being due to variations in the mineral composition. (author)

Energy diffusion in strongly driven quantum chaotic systems: the role of correlations of the matrix elements

International Nuclear Information System (INIS)

Elyutin, P V; Rubtsov, A N

2008-01-01

The energy evolution of a quantum chaotic system under the perturbation that harmonically depends on time is studied for the case of large perturbation, in which the rate of transition calculated from the Fermi golden rule (FGR) is about or exceeds the frequency of perturbation. For this case, the models of the Hamiltonian with random non-correlated matrix elements demonstrate that the energy evolution retains its diffusive character, but the rate of diffusion increases slower than the square of the magnitude of perturbation, thus destroying the quantum-classical correspondence for the energy diffusion and the energy absorption in the classical limit ℎ → 0. The numerical calculation carried out for a model built from the first principles (the quantum analog of the Pullen-Edmonds oscillator) demonstrates that the evolving energy distribution, apart from the diffusive component, contains a ballistic one with the energy dispersion that is proportional to the square of time. This component originates from the chains of matrix elements with correlated signs and vanishes if the signs of matrix elements are randomized. The presence of the ballistic component formally extends the applicability of the FGR to the non-perturbative domain and restores the quantum-classical correspondence

IMPACT OF MATRIX INVERSION ON THE COMPLEXITY OF THE FINITE ELEMENT METHOD

Directory of Open Access Journals (Sweden)

M. Sybis

2016-04-01

Full Text Available Purpose. The development of a wide construction market and a desire to design innovative architectural building constructions has resulted in the need to create complex numerical models of objects having increasingly higher computational complexity. The purpose of this work is to show that choosing a proper method for solving the set of equations can improve the calculation time (reduce the complexity by a few levels of magnitude. Methodology. The article presents an analysis of the impact of matrix inversion algorithm on the deflection calculation in the beam, using the finite element method (FEM. Based on the literature analysis, common methods of calculating set of equations were determined. From the found solutions the Gaussian elimination, LU and Cholesky decomposition methods have been implemented to determine the effect of the matrix inversion algorithm used for solving the equations set on the number of computational operations performed. In addition, each of the implemented method has been further optimized thereby reducing the number of necessary arithmetic operations. Findings. These optimizations have been performed on the use of certain properties of the matrix, such as symmetry or significant number of zero elements in the matrix. The results of the analysis are presented for the division of the beam to 5, 50, 100 and 200 nodes, for which the deflection has been calculated. Originality. The main achievement of this work is that it shows the impact of the used methodology on the complexity of solving the problem (or equivalently, time needed to obtain results. Practical value. The difference between the best (the less complex and the worst (the most complex is in the row of few orders of magnitude. This result shows that choosing wrong methodology may enlarge time needed to perform calculation significantly.

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.

Controlling inclusive cross sections in parton shower + matrix element merging

Energy Technology Data Exchange (ETDEWEB)

Plaetzer, Simon

2012-11-15

We propose an extension of matrix element plus parton shower merging at tree level to preserve inclusive cross sections obtained from the merged and showered sample. Implementing this constraint generates approximate next-to-leading order (NLO) contributions similar to the LoopSim approach. We then show how full NLO, or in principle even higher order, corrections can be added consistently, including constraints on inclusive cross sections to account for yet missing parton shower accuracy at higher logarithmic order. We also show how NLO accuracy below the merging scale can be obtained.

Controlling inclusive cross sections in parton shower + matrix element merging

International Nuclear Information System (INIS)

Plaetzer, Simon

2012-11-01

We propose an extension of matrix element plus parton shower merging at tree level to preserve inclusive cross sections obtained from the merged and showered sample. Implementing this constraint generates approximate next-to-leading order (NLO) contributions similar to the LoopSim approach. We then show how full NLO, or in principle even higher order, corrections can be added consistently, including constraints on inclusive cross sections to account for yet missing parton shower accuracy at higher logarithmic order. We also show how NLO accuracy below the merging scale can be obtained.

Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

Energy Technology Data Exchange (ETDEWEB)

Martini, Till; Uwer, Peter [Humboldt-Universität zu Berlin, Institut für Physik,Newtonstraße 15, 12489 Berlin (Germany)

2015-09-14

In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e{sup +}e{sup −} annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

Analysis of smart beams with piezoelectric elements using impedance matrix and inverse Laplace transform

International Nuclear Information System (INIS)

Li, Guo-Qing; Miao, Xing-Yuan; Hu, Yuan-Tai; Wang, Ji

2013-01-01

A comprehensive study on smart beams with piezoelectric elements using an impedance matrix and the inverse Laplace transform is presented. Based on the authors’ previous work, the dynamics of some elements in beam-like smart structures are represented by impedance matrix equations, including a piezoelectric stack, a piezoelectric bimorph, an elastic straight beam or a circular curved beam. A further transform is applied to the impedance matrix to obtain a set of implicit transfer function matrices. Apart from the analytical solutions to the matrices of smart beams, one computation procedure is proposed to obtained the impedance matrices and transfer function matrices using FEA. By these means the dynamic solution of the elements in the frequency domain is transformed to that in Laplacian s-domain and then inversely transformed to time domain. The connections between the elements and boundary conditions of the smart structures are investigated in detail, and one integrated system equation is finally obtained using the symbolic operation of TF matrices. A procedure is proposed for dynamic analysis and control analysis of the smart beam system using mode superposition and a numerical inverse Laplace transform. The first example is given to demonstrate building transfer function associated impedance matrices using both FEA and analytical solutions. The second example is to verify the ability of control analysis using a suspended beam with PZT patches under close-loop control. The third example is designed for dynamic analysis of beams with a piezoelectric stack and a piezoelectric bimorph under various excitations. The last example of one smart beam with a PPF controller shows the applicability to the control analysis of complex systems using the proposed method. All results show good agreement with the other results in the previous literature. The advantages of the proposed methods are also discussed at the end of this paper. (paper)

Massive 3-loop ladder diagrams for quarkonic local operator matrix elements

Energy Technology Data Exchange (ETDEWEB)

Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Bluemlein, Johannes; Hasselhuhn, Alexander; Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Klein, Sebastian [Technische Hochschule Aachen (Germany). Inst. fuer Theoretische Physik

2012-06-15

3-loop diagrams of the ladder-type, which emerge for local quarkonic twist-2 operator matrix elements, are computed directly for general values of the Mellin variable N using Appell-function representations and applying modern summation technologies provided by the package Sigma and the method of hyperlogarithms. In some of the diagrams generalized harmonic sums with {xi} element of {l_brace}1,1/2,2{r_brace} emerge beyond the usual nested harmonic sums. As the asymptotic representation of the corresponding integrals shows, the generalized sums conspire giving well behaved expressions for large values of N. These diagrams contribute to the 3-loop heavy flavor Wilson coefficients of the structure functions in deep-inelastic scattering in the region Q{sup 2} >> m{sup 2}.

Massive 3-loop ladder diagrams for quarkonic local operator matrix elements

Energy Technology Data Exchange (ETDEWEB)

Ablinger, Jakob [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstrasse 69, A-4040 Linz (Austria); Bluemlein, Johannes, E-mail: johannes.bluemlein@desy.de [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Hasselhuhn, Alexander [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Klein, Sebastian [Research Institut fuer Theoretische Physik E, RWTH Aachen University, D-52056 Aachen (Germany); Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstrasse 69, A-4040 Linz (Austria); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany)

2012-11-01

3-loop diagrams of the ladder-type, which emerge for local quarkonic twist-2 operator matrix elements, are computed directly for general values of the Mellin variable N using Appell-function representations and applying modern summation technologies provided by the package Sigma and the method of hyperlogarithms. In some of the diagrams generalized harmonic sums with {xi} Element-Of {l_brace}1,1/2,2{r_brace} emerge beyond the usual nested harmonic sums. As the asymptotic representation of the corresponding integrals shows, the generalized sums conspire giving well behaved expressions for large values of N. These diagrams contribute to the 3-loop heavy flavor Wilson coefficients of the structure functions in deep-inelastic scattering in the region Q{sup 2} Much-Greater-Than m{sup 2}.

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+).

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 .

3-Loop massive O(T{sub 2}{sup F}) contributions to the DIS operator matrix element A{sub gg}

Energy Technology Data Exchange (ETDEWEB)

Ablinger, J.; Schneider, C. [Johannes Kepler Univ., Linz (Austria). Inst. for Symbolic Computation (RISC); Bluemlein, J.; Freitas, A. de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Hasselhuhn, A.; Round, M. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Inst. for Symbolic Computation (RISC); Manteuffel, A. von [Mainz Univ. (Germany). PRISMA Cluster of Excellence

2014-09-15

Contributions to heavy flavour transition matrix elements in the variable flavour number scheme are considered at 3-loop order. In particular a calculation of the diagrams with two equal masses that contribute to the massive operator matrix element A{sup (3)}{sub gg,Q} is performed. In the Mellin space result one finds finite nested binomial sums. In x-space these sums correspond to iterated integrals over an alphabet containing also square-root valued letters.

Double Beta Decay and Neutrino Masses Accuracy of the Nuclear Matrix Elements

International Nuclear Information System (INIS)

Faessler, Amand

2005-01-01

The neutrinoless double beta decay is forbidden in the standard model of the electroweak and strong interaction but allowed in most Grand Unified Theories (GUT's). Only if the neutrino is a Majorana particle (identical with its antiparticle) and if it has a mass, the neutrinoless double beta decay is allowed. Apart of one claim that the neutrinoless double beta decay in 76 Ge is measured, one has only upper limits for this transition probability. But even the upper limits allow to give upper limits for the electron Majorana neutrino mass and upper limits for parameters of GUT's and the minimal R-parity violating supersymmetric model. One further can give lower limits for the vector boson mediating mainly the right-handed weak interaction and the heavy mainly right-handed Majorana neutrino in left-right symmetric GUT's. For that one has to assume that the specific mechanism is the leading one for the neutrinoless double beta decay and one has to be able to calculate reliably the corresponding nuclear matrix elements. In the present contribution, one discusses the accuracy of the present status of calculating the nuclear matrix elements and the corresponding limits of GUT's and supersymmetric parameters

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix

International Nuclear Information System (INIS)

Miller, William H.; Cotton, Stephen J.

2016-01-01

It is pointed out that the classical phase space distribution in action-angle (a-a) variables obtained from a Wigner function depends on how the calculation is carried out: if one computes the standard Wigner function in Cartesian variables (p, x), and then replaces p and x by their expressions in terms of a-a variables, one obtains a different result than if the Wigner function is computed directly in terms of the a-a variables. Furthermore, the latter procedure gives a result more consistent with classical and semiclassical theory—e.g., by incorporating the Bohr-Sommerfeld quantization condition (quantum states defined by integer values of the action variable) as well as the Heisenberg correspondence principle for matrix elements of an operator between such states—and has also been shown to be more accurate when applied to electronically non-adiabatic applications as implemented within the recently developed symmetrical quasi-classical (SQC) Meyer-Miller (MM) approach. Moreover, use of the Wigner function (obtained directly) in a-a variables shows how our standard SQC/MM approach can be used to obtain off-diagonal elements of the electronic density matrix by processing in a different way the same set of trajectories already used (in the SQC/MM methodology) to obtain the diagonal elements.

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix.

Science.gov (United States)

Miller, William H; Cotton, Stephen J

2016-08-28

It is pointed out that the classical phase space distribution in action-angle (a-a) variables obtained from a Wigner function depends on how the calculation is carried out: if one computes the standard Wigner function in Cartesian variables (p, x), and then replaces p and x by their expressions in terms of a-a variables, one obtains a different result than if the Wigner function is computed directly in terms of the a-a variables. Furthermore, the latter procedure gives a result more consistent with classical and semiclassical theory-e.g., by incorporating the Bohr-Sommerfeld quantization condition (quantum states defined by integer values of the action variable) as well as the Heisenberg correspondence principle for matrix elements of an operator between such states-and has also been shown to be more accurate when applied to electronically non-adiabatic applications as implemented within the recently developed symmetrical quasi-classical (SQC) Meyer-Miller (MM) approach. Moreover, use of the Wigner function (obtained directly) in a-a variables shows how our standard SQC/MM approach can be used to obtain off-diagonal elements of the electronic density matrix by processing in a different way the same set of trajectories already used (in the SQC/MM methodology) to obtain the diagonal elements.

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix

Energy Technology Data Exchange (ETDEWEB)

Miller, William H., E-mail: millerwh@berkeley.edu; Cotton, Stephen J., E-mail: StephenJCotton47@gmail.com [Department of Chemistry and Kenneth S. Pitzer Center for Theoretical Chemistry, University of California, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2016-08-28

It is pointed out that the classical phase space distribution in action-angle (a-a) variables obtained from a Wigner function depends on how the calculation is carried out: if one computes the standard Wigner function in Cartesian variables (p, x), and then replaces p and x by their expressions in terms of a-a variables, one obtains a different result than if the Wigner function is computed directly in terms of the a-a variables. Furthermore, the latter procedure gives a result more consistent with classical and semiclassical theory—e.g., by incorporating the Bohr-Sommerfeld quantization condition (quantum states defined by integer values of the action variable) as well as the Heisenberg correspondence principle for matrix elements of an operator between such states—and has also been shown to be more accurate when applied to electronically non-adiabatic applications as implemented within the recently developed symmetrical quasi-classical (SQC) Meyer-Miller (MM) approach. Moreover, use of the Wigner function (obtained directly) in a-a variables shows how our standard SQC/MM approach can be used to obtain off-diagonal elements of the electronic density matrix by processing in a different way the same set of trajectories already used (in the SQC/MM methodology) to obtain the diagonal elements.

Consolidation effects on tensile properties of an elemental Al matrix composite

Energy Technology Data Exchange (ETDEWEB)

Tang, F. [Building 4515, MS 6064, Metals and Ceramics Division, Oak Ridge National Lab, Oak Ridge, TN 37831 (United States)]. E-mail: tangf@ornl.gov; Meeks, H. [Ceracon Inc., 5150 Fairoaks Blvd. 01-330, Carmichael, CA 95628 (United States); Spowart, J.E. [UES Incorporated, AFRL/MLLM Building 655, 2230 Tenth St. Suite 1, Wright-Patterson AFB, OH 45433 (United States); Gnaeupel-Herold, T. [NIST Center for Neutron Research, 100 Bureau Dr. Stop 8562, Gaithersburg, MD 20899-8562 (United States); Prask, H. [NIST Center for Neutron Research, 100 Bureau Dr. Stop 8562, Gaithersburg, MD 20899-8562 (United States); Anderson, I.E. [Materials and Engineering Physics Program, Ames Laboratory, Iowa State University, Ames, IA 50011 (United States)

2004-11-25

In a simplified composite design, an unalloyed Al matrix was reinforced by spherical Al-Cu-Fe alloy particles (30 vol.%), using either commercial purity (99.7%) or high purity (99.99%) fine powders (diameter < 10 {mu}m). This composite material was consolidated by either vacuum hot pressing (VHP) or quasi-isostatic forging. The spatial distribution of reinforcement particles in both VHP and forged samples was shown to be almost the same by quantitative characterization with a multi-scale area fraction analysis technique. The tensile properties of all composite samples were tested and the forged materials showed significantly higher strength, while the elastic modulus values of all composite materials were close to the upper bound of theoretical predictions. Neutron diffraction measurements showed that there were high compressive residual stresses in the Al matrix of the forged samples and relatively low Al matrix residual stresses (predominantly compressive) in the VHP samples. By tensile tests and neutron diffraction measurements of the forged samples after annealing, it was shown that the high compressive residual stresses in the Al matrix were relieved and that tensile strength was also reduced to almost the same level as that of the VHP samples. Therefore, it was deduced that increased compressive residual stresses and enhanced dislocation densities in the forged composites raised the tensile strength to higher values than those of the VHP composites.

Heavy flavor operator matrix elements at O({alpha}{sub s}{sup 3})

Energy Technology Data Exchange (ETDEWEB)

Bierenbaum, Isabella; Buemlein, Johannes; Klein, Sebastian

2008-12-15

The heavy quark effects in deep.inelastic scattering in the asymptotic regime Q{sup 2}>>m{sup 2} can be described by heavy flavor operator matrix elements. Complete analytic expressions for these objects are currently known to NLO. We present first results for fixed moments at NNLO. This involves a recalculation of fixed moments of the corresponding NNLO anomalous dimensions, which we thereby confirm. (orig.)

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters.

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-14

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programmed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

Science.gov (United States)

Bubin, Sergiy; Adamowicz, Ludwik

2006-06-01

In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of particles. The expressions are derived using the formalism of matrix differential calculus. In addition, we present expressions for the energy gradient that includes derivatives of the Hamiltonian integrals with respect to the exponential parameters. The gradient is used in the variational optimization of the parameters. All the expressions are presented in the matrix form suitable for both numerical implementation and theoretical analysis. The energy and gradient formulas have been programed and used to calculate ground and excited states of the He atom using an approach that does not involve the Born-Oppenheimer approximation.

High power X-ray welding of metal-matrix composites

Energy Technology Data Exchange (ETDEWEB)

Rosenberg, Richard A.; Goeppner, George A.; Noonan, John R.; Farrell, William J.; Ma, Qing

1997-12-01

A method for joining metal-matrix composites (MMCs) by using high power x-rays as a volumetric heat source is provided. The method involves directing an x-ray to the weld line between two adjacent MMCs materials to create an irradiated region or melt zone. The x-rays have a power density greater than about 10{sup 4} watts/cm{sup 2} and provide the volumetric heat required to join the MMC materials. Importantly, the reinforcing material of the metal-matrix composites remains uniformly distributed in the melt zone, and the strength of the MMCs are not diminished. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys. In an alternate embodiment, high power x-rays are used to provide the volumetric heat required to weld metal elements, including metal elements comprised of metal alloys.

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...

Structural analysis and incipient failure detection of primary circuit components based on correlation-analysis and finite-element models

International Nuclear Information System (INIS)

Olma, B.J.

1977-01-01

A method is presented to compute vibrational power spectral densities (VPSD's) of primary circuit components based on a finite-element representation of the primary circuit. First this method has been applied to the sodium cooled reactor KNK, Karlsruhe. Now a further application is being developed for a BWR-nuclear power plant. The experimentally determined VPSD's can be considered as the output of a multiple input-output system. They have to be explained as the frequency response of a multidimensional mechanical system, which is excited by stochastic and deterministic mechanical driving forces. The stochastic mechanical forces are generated by the dynamic pressure fluctuations of the fluid. The deterministic mechanical forces are caused by the pressure fluctuations, which are induced by the main coolant pumps or by standing waves. The excitation matrix can be obtained from measured pressure fluctuations. The vibration transfer function matrix can be computed from the mass matrix, damping matrix and stiffness matrix of a theoretical finite-element model or mass-spring model. Based on this theory the computer code 'STAMPO' has been established. This program has been applied to the KNK reactor. The excitation matrix was created from measured jet-noise pressure fluctuations. The mass-, stiffness- and damping matrix has been extracted from a SAP-IV-model of the primary system. Sequentially for each frequency point the complete VPSD matrix has been computed. The diagonal elements of this matrix represent the vibrational auto-power spectral densities, the off-diagonal elements represent the vibrational cross-power spectral densities. The calculations give good agreement with measured VPSD's. The comparison shows that the measured jet-noise pressure fluctuations act nearly uncorrelated on the structure, whereas the output VPSD's are well correlated

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)

Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

Science.gov (United States)

Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

2011-01-01

A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

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

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.

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)

Efficient improvement of virtual crack extension method by a derivative of the finite element stiffness matrix

International Nuclear Information System (INIS)

Ishikawa, H.; Nakano, S.; Yuuki, R.; Chung, N.Y.

1991-01-01

In the virtual crack extension method, the stress intensity factor, K, is obtained from the converged value of the energy release rate by the difference of the finite element stiffness matrix when some crack extension are taken. Instead of the numerical difference of the finite element stiffness, a new method to use a direct dirivative of the finite element stiffness matrix with respect to crack length is proposed. By the present method, the results of some example problems, such as uniform tension problems of a square plate with a center crack and a rectangular plate with an internal slant crack, are obtained with high accuracy and good efficiency. Comparing with analytical results, the present values of the stress intensity factors of the problems are obtained with the error that is less than 0.6%. This shows the numerical assurance of the usefulness of the present method. A personal computer program for the analysis is developed

Number-conserving random phase approximation with analytically integrated matrix elements

International Nuclear Information System (INIS)

Kyotoku, M.; Schmid, K.W.; Gruemmer, F.; Faessler, A.

1990-01-01

In the present paper a number conserving random phase approximation is derived as a special case of the recently developed random phase approximation in general symmetry projected quasiparticle mean fields. All the occurring integrals induced by the number projection are performed analytically after writing the various overlap and energy matrices in the random phase approximation equation as polynomials in the gauge angle. In the limit of a large number of particles the well-known pairing vibration matrix elements are recovered. We also present a new analytically number projected variational equation for the number conserving pairing problem

Improved determination of hadron matrix elements using the variational method

International Nuclear Information System (INIS)

Dragos, J.; Kamleh, W.; Leinweber, D.B.; Zanotti, J.M.; Rakow, P.E.L.; Young, R.D.; Adelaide Univ.

2015-11-01

The extraction of hadron form factors in lattice QCD using the standard two- and three-point correlator functions has its limitations. One of the most commonly studied sources of systematic error is excited state contamination, which occurs when correlators are contaminated with results from higher energy excitations. We apply the variational method to calculate the axial vector current g A and compare the results to the more commonly used summation and two-exponential fit methods. The results demonstrate that the variational approach offers a more efficient and robust method for the determination of nucleon matrix elements.

Matrix Elements of One- and Two-Body Operators in the Unitary Group Approach (I)-Formalism

Institute of Scientific and Technical Information of China (English)

DAI Lian-Rong; PAN Feng

2001-01-01

The tensor algebraic method is used to derive general one- and two-body operator matrix elements within the Un representations, which are useful in the unitary group approach to the configuration interaction problems of quantum many-body systems.

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

The nuclear reaction matrix

International Nuclear Information System (INIS)

Krenciglowa, E.M.; Kung, C.L.; Kuo, T.T.S.; Osnes, E.; and Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794)

1976-01-01

Different definitions of the reaction matrix G appropriate to the calculation of nuclear structure are reviewed and discussed. Qualitative physical arguments are presented in support of a two-step calculation of the G-matrix for finite nuclei. In the first step the high-energy excitations are included using orthogonalized plane-wave intermediate states, and in the second step the low-energy excitations are added in, using harmonic oscillator intermediate states. Accurate calculations of G-matrix elements for nuclear structure calculations in the Aapprox. =18 region are performed following this procedure and treating the Pauli exclusion operator Q 2 /sub p/ by the method of Tsai and Kuo. The treatment of Q 2 /sub p/, the effect of the intermediate-state spectrum and the energy dependence of the reaction matrix are investigated in detail. The present matrix elements are compared with various matrix elements given in the literature. In particular, close agreement is obtained with the matrix elements calculated by Kuo and Brown using approximate methods

Two-loop massive fermionic operator matrix elements and intial state QED corrections to e{sup +}e{sup -}{yields}{gamma}{sup *}/Z{sup *}

Energy Technology Data Exchange (ETDEWEB)

Bluemlein, J. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Freitas, A. de [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)]|[Universidad Simon Bolivar, Caracas (Venezuela). Dept. de Fisica; Neerven, W. van [Leiden Univ. (Netherlands). Lorentz Institute

2008-12-15

We describe the calculation of the two-loop massive operator matrix elements for massive external fermions. These matrix elements are needed for the calculation of the O({alpha}{sup 2}) initial state radiative corrections to e{sup +}e{sup -} annihilation into a neutral virtual gauge boson, based on the renormalization group technique. (orig.)

The matrix element for radiative Bhabha scattering in the forward direction

International Nuclear Information System (INIS)

Kleiss, R.

1993-09-01

We present an approximation to the matrix element for the process e + e - →e + e - γ, appropriate to the situation where one or both of the fermions are scattered over very small angles. The leading terms in the situation where all scattering angles are small contains not only terms quadratic in the electron mass, but also quartic and even sextic terms must be included. Special attention is devoted to the numerical stability of the resultant expression. Its relation to several existing formulae is discussed. (orig.)

Separation of soft and collinear infrared limits of QCD squared matrix elements

CERN Document Server

Nagy, Zoltan; Trócsányi, Z L; Trocsanyi, Zoltan; Somogyi, Gabor; Trocsanyi, Zoltan

2007-01-01

We present a simple way of separating the overlap between the soft and collinear factorization formulae of QCD squared matrix elements. We check its validity explicitly for single and double unresolved emissions of tree-level processes. The new method makes possible the definition of helicity-dependent subtraction terms for regularizing the real contributions in computing radiative corrections to QCD jet cross sections. This implies application of Monte Carlo helicity summation in computing higher order corrections.

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.

Plasma-related matrix effects in inductively coupled plasma--atomic emission spectrometry by group I and group II matrix-elements

International Nuclear Information System (INIS)

Chan, George C.-Y.; Chan, W.-T.

2003-01-01

The effects of Na, K, Ca and Ba matrices on the plasma excitation conditions in inductively coupled plasma-atomic emission spectrometry (ICP-AES) were studied. Normalized relative intensity was used to indicate the extent of the plasma-related matrix effects. The group I matrices have no effects on the plasma excitation conditions. In contrast, the group II matrices depress the normalized relative intensities of some spectral lines. Specifically, the Group II matrices have no effects on the normalized relative intensity of atomic lines of low upper energy level (soft lines), but reduce the normalized relative intensity of some ionic lines and atomic lines of high energy level (hard lines). The Group II matrices seem to shift the Saha balance of the analytes only; no shift in the Boltzmann balance was observed experimentally. Moreover, for some ionic lines with sum of ionization and excitation potentials close to the ionization potential of argon (15.75 eV), the matrix effect is smaller than other ionic lines of the same element. The reduced matrix effects may be attributed qualitatively to charge transfer excitation mechanism of these ionic lines. Charge transfer reaction renders ionic emission lines from the quasi-resonant levels similar in characteristics of atomic lines. The contribution of charge transfer relative to excitation by other non-specific excitation mechanisms (via Saha balance and Boltzmann balance) determines the degree of atomic behavior of a quasi-resonant level. A significant conclusion of this study is that plasma-related matrix effect depends strongly on the excitation mechanism of a spectral line. Since, in general, more than one excitation mechanism may contribute to the overall excitation of an emission line, the observed matrix effects reflect the sum of the effects due to individual excitation mechanisms. Excitation mechanisms, in addition to the often-used total excitation energy, should be considered in matrix effect studies

Neutrinoless Double Beta Decay Matrix Elements in Light Nuclei

Energy Technology Data Exchange (ETDEWEB)

Pastore, S.; Carlson, J.; Cirigliano, V.; Dekens, W.; Mereghetti, E.; Wiringa, R. B.

2018-01-17

We present the first ab initio calculations of neutrinoless double-β decay matrix elements in A=6-12 nuclei using variational Monte Carlo wave functions obtained from the Argonne v₁₈ two-nucleon potential and Illinois-7 three-nucleon interaction. We study both light Majorana neutrino exchange and potentials arising from a large class of multi-TeV mechanisms of lepton-number violation. Our results provide benchmarks to be used in testing many-body methods that can be extended to the heavy nuclei of experimental interest. In light nuclei we also study the impact of two-body short-range correlations and the use of different forms for the transition operators, such as those corresponding to different orders in chiral effective theory.

Basic Finite Element Method

International Nuclear Information System (INIS)

Lee, Byeong Hae

1992-02-01

This book gives descriptions of basic finite element method, which includes basic finite element method and data, black box, writing of data, definition of VECTOR, definition of matrix, matrix and multiplication of matrix, addition of matrix, and unit matrix, conception of hardness matrix like spring power and displacement, governed equation of an elastic body, finite element method, Fortran method and programming such as composition of computer, order of programming and data card and Fortran card, finite element program and application of nonelastic problem.

Study of osteoporosis through the measurement of bone mineral density and trace elements

International Nuclear Information System (INIS)

Aras, N.K.; Yilmaz, G.; Alkanl, S.; Korkusuz, F.; Ungan, M.; Kuscu, L.; Laleli, Y.; Eksioglu, F.; Sepici, B.; Gunel, U.

2000-01-01

The main purpose of this study was to establish a relation, if any, between bone mineral density, BMD, of the healthy Turkish population of the ages between 15 and 50 with social and demographic information, family history of fractures, personal and inherited characteristic, smoking and alcohol habit, history of fertility, level of physical activity, food consumption especially trace elements and other variables. Most of these relations were discussed in the last RCM in San Diego, CA, October 7-10,1996. Since then we have concentrated our work on more BMD and trace element measurements in bone. To this end, bone mineral density measurements, trace element studies, neutron activation analysis, fluoride analysis and atomic absorption analysis were undertaken and resulting data were analysed

A density tensor hierarchy for open system dynamics: retrieving the noise

International Nuclear Information System (INIS)

Adler, Stephen L

2007-01-01

We develop a density tensor hierarchy for open system dynamics that recovers information about fluctuations (or 'noise') lost in passing to the reduced density matrix. For the case of fluctuations arising from a classical probability distribution, the hierarchy is formed from expectations of products of pure state density matrix elements and can be compactly summarized by a simple generating function. For the case of quantum fluctuations arising when a quantum system interacts with a quantum environment in an overall pure state, the corresponding hierarchy is defined as the environmental trace of products of system matrix elements of the full density matrix. Whereas all members of the classical noise hierarchy are system observables, only the lowest member of the quantum noise hierarchy is directly experimentally measurable. The unit trace and idempotence properties of the pure state density matrix imply descent relations for the tensor hierarchies, that relate the order n tensor, under contraction of appropriate pairs of tensor indices, to the order n - 1 tensor. As examples to illustrate the classical probability distribution formalism, we consider a spatially isotropic ensemble of spin-1/2 pure states, a quantum system evolving by an Ito stochastic Schroedinger equation and a quantum system evolving by a jump process Schroedinger equation. As examples to illustrate the corresponding trace formalism in the quantum fluctuation case, we consider the tensor hierarchies for collisional Brownian motion of an infinite mass Brownian particle and for the weak coupling Born-Markov master equation. In different specializations, the latter gives the hierarchies generalizing the quantum optical master equation and the Caldeira-Leggett master equation. As a further application of the density tensor, we contrast stochastic Schroedinger equations that reduce and that do not reduce the state vector, and discuss why a quantum system coupled to a quantum environment behaves like

Production and Characterization of WC-Reinforced Co-Based Superalloy Matrix Composites

Science.gov (United States)

Özgün, Özgür; Dinler, İlyas

2018-05-01

Cobalt-based superalloy matrix composite materials were produced through the powder metallurgy technique using element powders at high purity and nano-sized wolfram carbide (WC) reinforcement in this study. An alloy that had the same chemical composition as the Stellite 6 alloy but not containing carbon was selected as the matrix alloy. The powder mixtures obtained as a result of mixing WC reinforcing member and element powders at the determined ratio were shaped by applying 300 MPa of pressure. The green components were sintered under argon atmosphere at 1240 °C for 120 minutes. The densities of the sintered components were determined by the Archimedes' principle. Microstructural characterization was performed via X-ray diffraction analysis, scanning electron microscope examinations, and energy-dispersive spectrometry. Hardness measurements and tensile tests were performed for determining mechanical characteristics. The relative density values of the sintered components increased by increasing the WC reinforcement ratio and they could almost reach the theoretical density. It was determined from the microstructural examinations that the composite materials consisted of fine and equiaxed grains and coarse carbides demonstrating a homogeneous dispersion along the microstructure at the grain boundaries. As it was the case in the density values, the hardness and strength values of the composites increased by increasing the WC ratio.

Anatomy of double beta decay nuclear matrix elements

Energy Technology Data Exchange (ETDEWEB)

Vogel, Petr, E-mail: pxv@caltech.ed [Kellogg Radiation Laboratory 106-38 Caltech. Pasadena, CA 91125 (United States)

2009-06-01

The necessary ingredients for a realistic evaluation of the 0vbetabeta nuclear matrix elements are reviewed. It is argued that the short range nucleon correlations, nucleon finite size, and higher order nuclear currents need to be included in the calculation, even though a consensus on the best way to treat all of these effects has not been reached. Another positive development is the realization that the two alternative and complementary methods, the Quasiparticle Random Phase Approximation and the Nuclear Shell Model, agree on many aspects of the calculation, in particular on the competition, or cancelation, between the contribution of nuclear pairing on one hand, and the other pieces of interaction that result in admixtures of broken pairs or higher seniority states on the other hand. The relatively short range (r <= 2-3 fm) of the effective 0vbetabeta operator found in both methods is a consequence of that competition.

The matrix elements of the potential energy operator between the Sp(2,R) basis generating functions. Near-magic nuclei

International Nuclear Information System (INIS)

Filippov, G.F.; Ovcharenko, V.I.; Teryoshin, Yu.V.

1980-01-01

For near-magnetic nuclei, the matrix elements of the central exchange nucleon-nucleon interaction potential energy operator between the generating functions of the total basis of the Sn are obtained. The basis states are highest weigt vectorsp(2,R) irreducible representatio of the SO(3) irredicible representation and in addition, have a definite O(A-1) symmetry. The Sp(2,R) basis generating matrix elements simplify essentially the problem of calculating the spectrum of collective excitations of the atomic nucleus over an intrinsic function of definite O(A-1) symmetry

Matching of singly- and doubly-unresolved limits of tree-level QCD squared matrix elements

Energy Technology Data Exchange (ETDEWEB)

Somogyi, Gabor [University of Debrecen and Institute of Nuclear Research of the Hungarian Academy of Sciences, H-4001 Debrecen, PO Box 51 (Hungary); Trocsanyi, Zoltan [University of Debrecen and Institute of Nuclear Research of the Hungarian Academy of Sciences, H-4001 Debrecen, PO Box 51 (Hungary); Duca, Vittorio Del [Istituto Nazionale di Fisica Nucleare, Sez. di Torino, via P. Giuria, 1 - 10125 Torino (Italy)

2005-06-01

We describe how to disentangle the singly- and doubly-unresolved (soft and/or collinear) limits of tree-level QCD squared matrix elements. Using the factorization formulae presented in this paper, we outline a viable general subtraction scheme for computing next-to-next-to-leading order corrections for electron-positron annihilation into jets.

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.

On- and off-resonance radiation-atom-coupling matrix elements involving extended atomic wave functions

Science.gov (United States)

Komninos, Yannis; Mercouris, Theodoros; Nicolaides, Cleanthes A.

2014-01-01

In continuation of our earlier works, we present results concerning the computation of matrix elements of the multipolar Hamiltonian (MPH) between extended wave functions that are obtained numerically. The choice of the MPH is discussed in connection with the broader issue of the form of radiation-atom (or -molecule) interaction that is appropriate for the systematic solution of various problems of matter-radiation interaction. We derive analytic formulas, in terms of the sine-integral function and spherical Bessel functions of various orders, for the cumulative radial integrals that were obtained and calculated by Komninos, Mercouris, and Nicolaides [Phys. Rev. A 71, 023410 (2005), 10.1103/PhysRevA.71.023410]. This development allows the much faster and more accurate computation of such matrix elements, a fact that enhances the efficiency with which the time-dependent Schrödinger equation is solved nonperturbatively, in the framework of the state-specific expansion approach. The formulas are applicable to the general case where a pair of orbitals with angular parts |ℓ1,m1> and |ℓ2,m2> are coupled radiatively. As a test case, we calculate the matrix elements of the electric field and of the paramagnetic operators for on- and off-resonance transitions, between hydrogenic circular states of high angular momentum, whose quantum numbers are chosen so as to satisfy electric dipole and electric quadrupole selection rules. Because of the nature of their wave function (they are nodeless and the large centrifugal barrier keeps their overwhelming part at large distances from the nucleus), the validity of the electric dipole approximation in various applications where the off-resonance couplings must be considered becomes precarious. For example, for the transition from the circular state with n = 20 to that with n = 21, for which ≈400 a.u., the dipole approximation starts to fail already at XUV wavelengths (λ <125nm).

Kaon matrix elements and CP violation from quenched lattice QCD: The 3-flavor case

International Nuclear Information System (INIS)

Blum, T.; Wingate, M.; Chen, P.; Christ, N.; Cristian, C.; Fleming, G.; Mawhinney, R.; Siegert, G.; Wu, L.; Zhestkov, Y.; Dawson, C.; Soni, A.; Ohta, S.; Vranas, P.

2003-01-01

We report the results of a calculation of the K→ππ matrix elements relevant for the ΔI=1/2 rule and ε ' /ε in quenched lattice QCD using domain wall fermions at a fixed lattice spacing a -1 ∼2 GeV. Working in the three-quark effective theory, where only the u, d, and s quarks enter and which is known perturbatively to next-to-leading order, we calculate the lattice K→π and K→|0> matrix elements of dimension six, four-fermion operators. Through lowest order chiral perturbation theory these yield K→ππ matrix elements, which we then normalize to continuum values through a nonperturbative renormalization technique. For the ratio of isospin amplitudes vertical bar A 0 vertical bar/vertical bar A 2 vertical bar we find a value of 25.3±1.8 (statistical error only) compared to the experimental value of 22.2, with individual isospin amplitudes 10%-20% below the experimental values. For ε ' /ε, using known central values for standard model parameters, we calculate (-4.0±2.3)x10 -4 (statistical error only) compared to the current experimental average of (17.2±1.8)x10 -4 . Because we find a large cancellation between the I=0 and I=2 contributions to ε ' /ε, the result may be very sensitive to the approximations employed. Among these are the use of quenched QCD, lowest order chiral perturbation theory, and continuum perturbation theory below 1.3 GeV. We also calculate the kaon B parameter B K and find B K,MS (2 GeV)=0.532(11). Although currently unable to give a reliable systematic error, we have control over statistical errors and more simulations will yield information about the effects of the approximations on this first-principles determination of these important quantities

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

Precision Measurement of the Neutron Twist-3 Matrix Element dn2: Probing Color Forces

Energy Technology Data Exchange (ETDEWEB)

Posik, Matthew; Flay, David; Parno, Diana; Allada, Kalyan; Armstrong, Whitney; Averett, Todd; Benmokhtar, Fatiha; Bertozzi, William; Camsonne, Alexandre; Canan, Mustafa; Cates, Gordon; Chen, Chunhua; Chen, Jian-Ping; Choi, Seonho; Chudakov, Eugene; Cusanno, Francesco; Dalton, Mark; Deconinck, Wouter; De Jager, Cornelis; Deng, Xiaoyan; Deur, Alexandre; Dutta, Chiranjib; El Fassi, Lamiaa; Franklin, Gregg; Friend, Megan; Gao, Haiyan; Garibaldi, Franco; Gilad, Shalev; Gilman, Ronald; Glamazdin, Oleksandr; Golge, Serkan; Gomez, Javier; Guo, Lei; Hansen, Jens-Ole; Higinbotham, Douglas; Holmstrom, Timothy; Huang, J; Hyde, Charles; Ibrahim Abdalla, Hassan; Jiang, Xiaodong; Jin, Ge; Katich, Joseph; Kelleher, Aidan; Kolarkar, Ameya; Korsch, Wolfgang; Kumbartzki, Gerfried; LeRose, John; Lindgren, Richard; Liyanage, Nilanga; Long, Elena; Lukhanin, Oleksandr; Mamyan, Vahe; McNulty, Dustin; Meziani, Zein-Eddine; Michaels, Robert; Mihovilovic, Miha; Moffit, Bryan; Muangma, Navaphon; Nanda, Sirish; Narayan, Amrendra; Nelyubin, Vladimir; Norum, Blaine; Nuruzzaman, nfn; Oh, Yongseok; Peng, Jen-chieh; Qian, Xin; Qiang, Yi; Rakhman, Abdurahim; Riordan, Seamus; Saha, Arunava; Sawatzky, Bradley; Hashemi Shabestari, Mitra; Shahinyan, Albert; Sirca, Simon; Solvignon-Slifer, Patricia; Subedi, Ramesh; Sulkosky, Vincent; Tobias, William; Troth, Wolfgang; Wang, Diancheng; Wang, Y; Wojtsekhowski, Bogdan; Yan, X; Yao, Huan; Ye, Yunxiu; Ye, Zhihong; Yuan, Lulin; Zhan, X; Zhang, Y; Zhang, Y -W; Zhao, Bo; Zheng, Xiaochao

2014-07-01

Double-spin asymmetries and absolute cross sections were measured at large Bjorken x (0.25 lte x lte 0.90), in both the deep-inelastic and resonance regions, by scattering longitudinally polarized electrons at beam energies of 4.7 and 5.9 GeV from a transversely and longitudinally polarized 3He target. In this dedicated experiment, the spin structure function g2 on 3He was determined with precision at large x, and the neutron twist-three matrix element dn2 was measured at ?Q2? of 3.21 and 4.32 GeV2/c2, with an absolute precision of about 10?5. Our results are found to be in agreement with lattice QCD calculations and resolve the disagreement found with previous data at ?Q2?= 5 GeV2/c2. Combining dn2 and a newly extracted twist-four matrix element, fn2, the average neutron color electric and magnetic forces were extracted and found to be of opposite sign and about 60 MeV/fm in magnitude.

Measurement of single top quark production at D0 using a matrix element method

International Nuclear Information System (INIS)

Mitrevski, Jovan Pavle

2007-01-01

Until now, the top quark has only been observed produced in pairs, by the strong force. According to the standard model, it can also be produced singly, via an electroweak interaction. Top quarks produced this way provide powerful ways to test the charged-current electroweak interactions of the top quark, to measure |V tb |, and to search for physics beyond the standard model. This thesis describes the application of the matrix element analysis technique to the search for single top quark production with the D0 detector using 0.9 fb -1 of Run II data. From a comparison of the matrix element discriminants between data and the background model, assuming a Standard Model s-channel to t-channel cross section ratio of σ s /σ t = 0.44, we measure the single top quark production cross section: σ(p(bar p) → tb + X, tqb + X) = 4.8 -1.4 +1.6 pb. This result has a p-value of 0.08%, corresponding to a 3.2 standard deviation Gaussian equivalent significance

Fabrication of synthetic diffractive elements using advanced matrix laser lithography

International Nuclear Information System (INIS)

Škeren, M; Svoboda, J; Kveton, M; Fiala, P

2013-01-01

In this paper we present a matrix laser writing device based on a demagnified projection of a micro-structure from a computer driven spatial light modulator. The device is capable of writing completely aperiodic micro-structures with resolution higher than 200 000 DPI. An optical system is combined with ultra high precision piezoelectric stages with an elementary step ∼ 4 nm. The device operates in a normal environment, which significantly decreases the costs compared to competitive technologies. Simultaneously, large areas can be exposed up to 100 cm2. The capabilities of the constructed device will be demonstrated on particular elements fabricated for real applications. The optical document security is the first interesting field, where the synthetic image holograms are often combined with sophisticated aperiodic micro-structures. The proposed technology can easily write simple micro-gratings creating the color and kinetic visual effects, but also the diffractive cryptograms, waveguide couplers, and other structures recently used in the field of optical security. A general beam shaping elements and special photonic micro-structures are another important applications which will be discussed in this paper.

Fabrication of synthetic diffractive elements using advanced matrix laser lithography

Science.gov (United States)

Škereň, M.; Svoboda, J.; Květoň, M.; Fiala, P.

2013-02-01

In this paper we present a matrix laser writing device based on a demagnified projection of a micro-structure from a computer driven spatial light modulator. The device is capable of writing completely aperiodic micro-structures with resolution higher than 200 000 DPI. An optical system is combined with ultra high precision piezoelectric stages with an elementary step ~ 4 nm. The device operates in a normal environment, which significantly decreases the costs compared to competitive technologies. Simultaneously, large areas can be exposed up to 100 cm2. The capabilities of the constructed device will be demonstrated on particular elements fabricated for real applications. The optical document security is the first interesting field, where the synthetic image holograms are often combined with sophisticated aperiodic micro-structures. The proposed technology can easily write simple micro-gratings creating the color and kinetic visual effects, but also the diffractive cryptograms, waveguide couplers, and other structures recently used in the field of optical security. A general beam shaping elements and special photonic micro-structures are another important applications which will be discussed in this paper.

Continuous Modeling Technique of Fiber Pullout from a Cement Matrix with Different Interface Mechanical Properties Using Finite Element Program

Directory of Open Access Journals (Sweden)

Leandro Ferreira Friedrich

Full Text Available Abstract Fiber-matrix interface performance has a great influence on the mechanical properties of fiber reinforced composite. This influence is mainly presented during fiber pullout from the matrix. As fiber pullout process consists of fiber debonding stage and pullout stage which involve complex contact problem, numerical modeling is a best way to investigate the interface influence. Although many numerical research works have been conducted, practical and effective technique suitable for continuous modeling of fiber pullout process is still scarce. The reason is in that numerical divergence frequently happens, leading to the modeling interruption. By interacting the popular finite element program ANSYS with the MATLAB, we proposed continuous modeling technique and realized modeling of fiber pullout from cement matrix with desired interface mechanical performance. For debonding process, we used interface elements with cohesive surface traction and exponential failure behavior. For pullout process, we switched interface elements to spring elements with variable stiffness, which is related to the interface shear stress as a function of the interface slip displacement. For both processes, the results obtained are very good in comparison with other numerical or analytical models and experimental tests. We suggest using the present technique to model toughening achieved by randomly distributed fibers.

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.

Lepton mixing matrix element U13 and new assignments of universal texture for quark and lepton mass matrices

International Nuclear Information System (INIS)

Matsuda, Koichi; Nishiura, Hiroyuki

2004-01-01

We reanalyze the mass matrix model of quarks and leptons that gives a unified description of quark and lepton mass matrices with the same texture form. By investigating possible types of assignment for the texture components of the lepton mass matrix, we find that a different assignment for neutrinos than for charged leptons can also lead to consistent values of the Maki-Nakagawa-Sakata-Pontecorv (MNSP) lepton mixing matrix. We also find that the predicted value for the lepton mixing matrix element U 13 of the model depends on the assignment. A proper assignment will be discriminated by future experimental data for U 13

K-M matrix elements and decays of the B meson to J/Psi

International Nuclear Information System (INIS)

Wilson, Richard

2002-01-01

This talk discusses some of the last work on B meson decays of the CLEO collaboration, which work is, in fact, improvements in precision of much earlier work of the same collaboration. New theoretical developments have enabled us to present much improved numbers on the matrix elements Vcb, and Vub. Also some recent work on the decay of B mesons to J/Psi plus other particles will be briefly presented

Variational principles for particles and fields in Heisenberg matrix mechanics

International Nuclear Information System (INIS)

Klein, A.; Li, C.T.; Vassanji, M.

1980-01-01

For many years we have advocated a form of quantum mechanics based on the application of sum rule methods (completeness) to the equations of motion and to the commutation relations, i.e., to Heisenberg matrix mechanics. Sporadically we have discussed or alluded to a variational foundation for this method. In this paper we present a series of variational principles applicable to a range of systems from one-dimensional quantum mechanics to quantum fields. The common thread is that the stationary quantity is the trace of the Hamiltonian over Hilbert space (or over a subspace of interest in an approximation) expressed as a functional of matrix elements of the elementary operators of the theory. These parameters are constrained by the kinematical relations of the theory introduced by the method of Lagrange multipliers. For the field theories, variational principles in which matrix elements of the density operators are chosen as fundamental are also developed. A qualitative discussion of applications is presented

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.

Matrix elements of the potential energy operator for the six nucleon system between the generating invariants

International Nuclear Information System (INIS)

Filippov, G.F.; Lopez Trujillo, A.; Rybkin, I.Yu.

1993-01-01

The matrix elements of the potential energy operator (which includes central, spin-orbit and tensor components) are calculated between the generating invariants of the cluster basis describing α + d and t+h configurations of the six-nucleon system. (author). 12 refs

Generalized hypervirial and Blanchard's recurrence relations for radial matrix elements

International Nuclear Information System (INIS)

Dong Shihai; Chen Changyuan; Lozada-Cassou, M

2005-01-01

Based on the Hamiltonian identity, we propose a generalized expression of the second hypervirial for an arbitrary central potential wavefunction in arbitrary dimensions D. We demonstrate that the new proposed second hypervirial formula is very powerful in deriving the general Blanchard's and Kramers' recurrence relations among the radial matrix elements. As their useful and important applications, we derive all general Blanchard's and Kramers' recurrence relations and some identities for the Coulomb-like potential, harmonic oscillator and Kratzer oscillator. The recurrence relation and identity between the exponential functions and the powers of the radial function are established for the Morse potential. The corresponding general Blanchard's and Kramers' recurrence relations in 2D are also briefly studied

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.

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.

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....

Measurement of the top quark mass in the dilepton final state using the matrix element method

Energy Technology Data Exchange (ETDEWEB)

Grohsjean, Alexander [Ludwig Maximilian Univ., Munich (Germany)

2008-12-15

The top quark, discovered in 1995 by the CDF and D0 experiments at the Fermilab Tevatron Collider, is the heaviest known fundamental particle. The precise knowledge of its mass yields important constraints on the mass of the yet-unobserved Higgs boson and allows to probe for physics beyond the Standard Model. The first measurement of the top quark mass in the dilepton channel with the Matrix Element method at the D0 experiment is presented. After a short description of the experimental environment and the reconstruction chain from hits in the detector to physical objects, a detailed review of the Matrix Element method is given. The Matrix Element method is based on the likelihood to observe a given event under the assumption of the quantity to be measured, e.g. the mass of the top quark. The method has undergone significant modifications and improvements compared to previous measurements in the lepton+jets channel: the two undetected neutrinos require a new reconstruction scheme for the four-momenta of the final state particles, the small event sample demands the modeling of additional jets in the signal likelihood, and a new likelihood is designed to account for the main source of background containing tauonic Z decay. The Matrix Element method is validated on Monte Carlo simulated events at the generator level. For the measurement, calibration curves are derived from events that are run through the full D0 detector simulation. The analysis makes use of the Run II data set recorded between April 2002 and May 2008 corresponding to an integrated luminosity of 2.8 fb^-1. A total of 107 t$\\bar{t}$ candidate events with one electron and one muon in the final state are selected. Applying the Matrix Element method to this data set, the top quark mass is measured to be m_top^{Run IIa} = 170.6 ± 6.1(stat.)_-1.5^+2.1(syst.)GeV; m_top^{Run IIb} = 174.1 ± 4.4(stat.)_-1.8^+2.5(syst.)GeV; m

Matrix elements for the anti B→Xsγ decay at NNLO

International Nuclear Information System (INIS)

Schutzmeier, Thomas Paul

2009-01-01

In the context of the indirect search for non-standard physics in the flavour sector of the Standard Model (SM), one of the most interesting processes is the rare inclusive anti B→ X s γ decay. On the one hand, being a flavour-changing neutral current, this B decay is sensitive to new physics, as it is loop-suppressed in the SM. On the other hand, it is only mildly affected by non-perturbative effects, and thus allows for precise theoretical predictions in the framework of renormalization-group improved perturbation theory. Accurate measurements as well as precise theoretical predictions with a good control over both perturbative and non-perturbative contributions have to be provided in order to derive stringent constraints on the parameter space of physics beyond the SM. On the experimental side, an outstanding accuracy in the measurement of the anti B→X s γ decay rate has been achieved, which is mainly due the specialized experiments BaBar and Belle at the so-called B factories. To match the small experimental uncertainty, higher order computations within an effective low-energy theory of the SM are mandatory. In fact, next-to-next-to-leading order (NNLO) QCD corrections are required to provide a prediction for the decay rate with the same precision as the measurement. The NNLO evaluation of the anti B→X s γ decay rate has been pursued by various groups over the last decade. The project was completed to a large extent and a first estimate at this level of perturbation theory was obtained in 2006. This prediction, however, lacks important contributions from yet unknown matrix elements, that were estimated from results which are only partially known to date. In this work, we provide a framework for the systematic study of the missing matrix elements at the NNLO. As main results of this thesis, we determine fermionic corrections to the charm quark mass dependent matrix elements of four-quark operators in the effective theory at NNLO. For the first time, the

A new Eulerian-Lagrangian finite element simulator for solute transport in discrete fracture-matrix systems

Energy Technology Data Exchange (ETDEWEB)

Birkholzer, J.; Karasaki, K. [Lawrence Berkeley National Lab., CA (United States). Earth Sciences Div.

1996-07-01

Fracture network simulators have extensively been used in the past for obtaining a better understanding of flow and transport processes in fractured rock. However, most of these models do not account for fluid or solute exchange between the fractures and the porous matrix, although diffusion into the matrix pores can have a major impact on the spreading of contaminants. In the present paper a new finite element code TRIPOLY is introduced which combines a powerful fracture network simulator with an efficient method to account for the diffusive interaction between the fractures and the adjacent matrix blocks. The fracture network simulator used in TRIPOLY features a mixed Lagrangian-Eulerian solution scheme for the transport in fractures, combined with an adaptive gridding technique to account for sharp concentration fronts. The fracture-matrix interaction is calculated with an efficient method which has been successfully used in the past for dual-porosity models. Discrete fractures and matrix blocks are treated as two different systems, and the interaction is modeled by introducing sink/source terms in both systems. It is assumed that diffusive transport in the matrix can be approximated as a one-dimensional process, perpendicular to the adjacent fracture surfaces. A direct solution scheme is employed to solve the coupled fracture and matrix equations. The newly developed combination of the fracture network simulator and the fracture-matrix interaction module allows for detailed studies of spreading processes in fractured porous rock. The authors present a sample application which demonstrate the codes ability of handling large-scale fracture-matrix systems comprising individual fractures and matrix blocks of arbitrary size and shape.

First unitarity-independent determination of the CKM matrix elements $V_{td}$, $V_{ts}$, and ${V_{tb}$ and the implications for unitarity

OpenAIRE

Swain, John; Taylor, Lucas

1997-01-01

The magnitudes of the CKM matrix elements $V_{td}$, $V_{ts}$, and $V_{tb}$ are determined for the first time without any assumptions of unitarity. The implications for the unitarity of the CKM matrix as a whole are discussed.

The Direct Effect of Toroidal Magnetic Fields on Stellar Oscillations: An Analytical Expression for the General Matrix Element

Energy Technology Data Exchange (ETDEWEB)

Kiefer, René; Schad, Ariane; Roth, Markus [Kiepenheuer-Institut für Sonnenphysik, Schöneckstraße 6, D-79104 Freiburg (Germany)

2017-09-10

Where is the solar dynamo located and what is its modus operandi? These are still open questions in solar physics. Helio- and asteroseismology can help answer them by enabling us to study solar and stellar internal structures through global oscillations. The properties of solar and stellar acoustic modes are changing with the level of magnetic activity. However, until now, the inference on subsurface magnetic fields with seismic measures has been very limited. The aim of this paper is to develop a formalism to calculate the effect of large-scale toroidal magnetic fields on solar and stellar global oscillation eigenfunctions and eigenfrequencies. If the Lorentz force is added to the equilibrium equation of motion, stellar eigenmodes can couple. In quasi-degenerate perturbation theory, this coupling, also known as the direct effect, can be quantified by the general matrix element. We present the analytical expression of the matrix element for a superposition of subsurface zonal toroidal magnetic field configurations. The matrix element is important for forward calculations of perturbed solar and stellar eigenfunctions and frequency perturbations. The results presented here will help to ascertain solar and stellar large-scale subsurface magnetic fields, and their geometric configuration, strength, and change over the course of activity cycles.

Disintegration of graphite matrix from the simulative high temperature gas-cooled reactor fuel element by electrochemical method

International Nuclear Information System (INIS)

Tian Lifang; Wen Mingfen; Li Linyan; Chen Jing

2009-01-01

Electrochemical method with salt as electrolyte has been studied to disintegrate the graphite matrix from the simulative high temperature gas-cooled reactor fuel elements. Ammonium nitrate was experimentally chosen as the appropriate electrolyte. The volume average diameter of disintegrated graphite fragments is about 100 μm and the maximal value is less than 900 μm. After disintegration, the weight of graphite is found to increase by about 20% without the release of a large amount of CO 2 probably owing to the partial oxidation to graphite in electrochemical process. The present work indicates that the improved electrochemical method has the potential to reduce the secondary nuclear waste and is a promising option to disintegrate graphite matrix from high temperature gas-cooled reactor spent fuel elements in the head-end of reprocessing.

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.

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

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

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)

Modeling Transverse Cracking in Laminates With a Single Layer of Elements Per Ply

Science.gov (United States)

Van Der Meer, Frans P.; Davila, Carlos G.

2012-01-01

The objective of the present paper is to investigate the ability of mesolevel X-FEM models with a single layer of elements per ply to capture accurately all aspects of matrix cracking. In particular, we examine whether the model can predict the insitu ply thickness effect on crack initiation and propagation, the crack density as a function of strain, the strain for crack saturation, and the interaction between delamination and transverse cracks. Results reveal that the simplified model does not capture correctly the shear-lag relaxation of the stress field on either side of a crack, which leads to an overprediction of the crack density. It is also shown, however, that after onset of delamination many of the inserted matrix cracks close again, and that the density of open cracks becomes similar to the density predicted by the detailed model. The degree to which the spurious cracks affect the global response is quantified and the reliability of the mesolevel approach with a single layer of elements per ply is discussed.

Minimizing matrix effect by femtosecond laser ablation and ionization in elemental determination.

Science.gov (United States)

Zhang, Bochao; He, Miaohong; Hang, Wei; Huang, Benli

2013-05-07

Matrix effect is unavoidable in direct solid analysis, which usually is a leading cause of the nonstoichiometric effect in quantitative analysis. In this research, experiments were carried out to study the overall characteristics of atomization and ionization in laser-solid interaction. Both nanosecond (ns) and femtosecond (fs) lasers were applied in a buffer-gas-assisted ionization source coupled with an orthogonal time-of-flight mass spectrometer. Twenty-nine solid standards of ten different matrices, including six metals and four dielectrics, were analyzed. The results indicate that the fs-laser mode offers more stable relative sensitivity coefficients (RSCs) with irradiance higher than 7 × 10(13) W·cm(-2), which could be more reliable in the determination of element composition of solids. The matrix effect is reduced by half when the fs-laser is employed, owing to the fact that the fs-laser ablation and ionization (fs-LAI) incurs an almost heat-free ablation process and creates a dense plasma for the stable ionization.

A new program for calculating matrix elements of one-particle operators in jj-coupling

International Nuclear Information System (INIS)

Pyper, N.C.; Grant, I.P.; Beatham, N.

1978-01-01

The aim of this paper is to calculate the matrix elements of one-particle tensor operators occurring in atomic and nuclear theory between configuration state functions representing states containing any number of open shells in jj-coupling. The program calculates the angular part of these matrix elements. The program is essentially a new version of RDMEJJ, written by J.J. Chang. The aims of this version are to eliminate inconsistencies from RDMEJJ, to modify its input requirements for consistency with MCP75, and to modify its output so that it can be stored in a discfile for access by other compatible programs. The program assumes that the configurational states are built from a common orthonormal set of basis orbitals. The number of electrons in a shell having j>=9/2 is restricted to be not greater than 2 by the available CFP routines . The present version allows up to 40 orbitals and 50 configurational states with <=10 open shells; these numbers can be changed by recompiling with modified COMMON/DIMENSION statements. The user should ensure that the CPC library subprograms AAGD, ACRI incorporate all current updates and have been converted to use double precision floating point arithmetic. (Auth.)

Matching Matrix Elements and Parton Showers with HERWIG and PYTHIA

CERN Document Server

Mrenna, S; Mrenna, Stephen; Richardson, Peter

2004-01-01

We report on our exploration of matching matrix element calculations with the parton-shower models contained in the event generators HERWIG and Pythia. We describe results for e+e- collisions and for the hadroproduction of W bosons and Drell--Yan pairs. We compare methods based on (1) a strict implementation of ideas proposed by Catani, et al., (2) a generalization based on using the internal Sudakov form factors of HERWIG and Pythia, and (3) a simpler proposal of M. Mangano. Where appropriate, we show the dependence on various choices of scales and clustering that do not affect the soft and collinear limits of the predictions, but have phenomenological implications. Finally, we comment on how to use these results to state systematic errors on the theoretical predictions.

Quenching of the Gamow-Teller matrix element in closed LS-shell-plus-one nuclei

International Nuclear Information System (INIS)

Towner, I.S.

1989-06-01

It is evident that nuclear Gamow-Teller matrix elements determined from β-decay and charge-exchange reactions are significantly quenched compared to simple shell-model estimates based on one-body operators and free-nucleon coupling constants. Here we discuss the theoretical origins of this quenching giving examples from light nuclei near LS-closed shells, such as 16 0 and 40 Ca. (Author) 12 refs., 2 tabs

An exploratory study of matrix elements of triangle I=3/2 K→ππ decays at next-to-leading order in the chiral expansion

International Nuclear Information System (INIS)

Boucaud, P.; Gimenez, V.; Lin, C.J.D.; Washington Univ., Seattle, WA; Lubicz, V.; Martinelli, G.; Papinutto, M.; Sachrajda, C.T.

2004-12-01

We present the first direct evaluation of ΔI=3/2 K → ππ matrix elements with the aim of determining all the low-energy constants at NLO in the chiral expansion. Our numerical investigation demonstrates that it is indeed possible to determine the K → ππ matrix elements directly for the masses and momenta used in the simulation with good precision. In this range however, we find that the matrix elements do not satisfy the predictions of NLO chiral perturbation theory. For the chiral extrapolation we therefore use a hybrid procedure which combines the observed polynomial behaviour in masses and momenta of our lattice results, with NLO chiral perturbation theory at lower masses. In this way we find stable results for the quenched matrix elements of the electroweak penguin operators ( I=2 left angle ππ vertical stroke O 8 vertical stroke K 0 right angle =(0.68±0.09) GeV 3 and I=2 left angle ππ vertical stroke O 7 vertical stroke K 0 right angle =(0.12±0.02) GeV 3 ), but not for the matrix elements of O 4 (for which there are too many low-energy constants at NLO for a reliable extrapolation). For all three operators we find that the effect of including the NLO corrections is significant (typically about 30%). We present a detailed discussion of the status of the prospects for the reduction of the systematic uncertainties. (orig.)

Status of fuel element technology for plate type dispersion fuels with high uranium density

International Nuclear Information System (INIS)

Hrovat, M.; Huschka, H.; Koch, K.H.; Nazare, S.; Ondracek, G.

1983-01-01

A number of about 20 Material Test and Research Reactors in Germany and abroad is supplied with fuel elements by the company NUKEM. The power of these reactors differs widely ranging from up to about 100 MW. Consequently, the uranium density of the fuel elements in the meat varies considerably depending on the reactor type and is usually within the range from 0.4 to 1.3 g U/cm 3 if HEU is used. In order to convert these reactors to lower uranium enrichment (19.75% 235-U) extensive work is carried out at NUKEM since about two years with the goal to develop fuel elements with high U-density. This work is sponsored by the German Ministry for Research and Technology in the frame of the AF-program. This paper reports on the present state of development for fuel elements with high U-density fuels at NUKEM is reported. The development works were so far concentrated on UAl x , U 3 O 8 and UO 2 fuels which will be described in more detail. In addition fuel plates with new fuels like e.g. U-Si or U-Fe compounds are developed in collaboration with KfK. The required uranium densities for some typical reactors with low, medium, and high power are listed allowing a comparison of HEU and LEU uranium density requirements. The 235-U-content in the case of LEU is raised by 18%. Two different meat thicknesses are considered: Standard thickness of 0.5 mm; and increased thickness of 0.76 mm. From this data compilation the objective follows: in the case of conversion to LEU (19.75% 235-U-enrichment), uranium densities have to be made available up to 24 gU/cm 3 meat for low power level reactors, up to 33 gU/cm 3 meat for medium power level reactors, and between 5.75 and 7.03 g/cm 3 meat for high power level reactors according to this consideration

Study of electron-molecule collision via finite-element method and r-matrix propagation technique: Exact exchange

International Nuclear Information System (INIS)

Abdolsalami, F.; Abdolsalami, M.; Perez, L.; Gomez, P.

1995-01-01

The authors have applied the finite-element method to electron-molecule collision with the exchange effect implemented rigorously. All the calculations are done in the body-frame within the fixed-nuclei approximation, where the exact treatment of exchange as a nonlocal effect results in a set of coupled integro-differential equations. The method is applied to e-H 2 and e-N 2 scatterings and the cross sections obtained are in very good agreement with the corresponding results the authors have generated from the linear-algebraic approach. This confirms the significant difference observed between their results generated by linear-algebraic method and the previously published e-N 2 cross sections. Their studies show that the finite-element method is clearly superior to the linear-algebraic approach in both memory usage and CPU time especially for large systems such as e-N 2 . The system coefficient matrix obtained from the finite-element method is often sparse and smaller in size by a factor of 12 to 16, compared to the linear-algebraic technique. Moreover, the CPU time required to obtain stable results with the finite-element method is significantly smaller than the linear-algebraic approach for one incident electron energy. The usage of computer resources in the finite-element method can even be reduced much further when (1) scattering calculations involving multiple electron energies are performed in one computer run and (2) exchange, which is a short range effect, is approximated by a sparse matrix. 17 refs., 7 figs., 5 tabs

A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

International Nuclear Information System (INIS)

CDF Collaboration; Freeman, John; Freeman, John

2007-01-01

A measurement of the top quark mass in t(bar t) → l + jets candidate events, obtained from p(bar p) collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t(bar t) production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb -1 data sample, using events with a high-p T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c 2

A Measurement of the Top Quark Mass in 1.96 TeV Proton-Antiproton Collisions Using a Novel Matrix Element Method

Energy Technology Data Exchange (ETDEWEB)

Freeman, John [Univ. of California, Berkeley, CA (United States)

2007-01-01

A measurement of the top quark mass in t$\\bar{t}$ → l + jets candidate events, obtained from p$\\bar{p}$ collisions at √s = 1.96 TeV at the Fermilab Tevatron using the CDF II detector, is presented. The measurement approach is that of a matrix element method. For each candidate event, a two dimensional likelihood is calculated in the top pole mass and a constant scale factor, 'JES', where JES multiplies the input particle jet momenta and is designed to account for the systematic uncertainty of the jet momentum reconstruction. As with all matrix element techniques, the method involves an integration using the Standard Model matrix element for t$\\bar{t}$ production and decay. However, the technique presented is unique in that the matrix element is modified to compensate for kinematic assumptions which are made to reduce computation time. Background events are dealt with through use of an event observable which distinguishes signal from background, as well as through a cut on the value of an event's maximum likelihood. Results are based on a 955 pb^-1 data sample, using events with a high-p_T lepton and exactly four high-energy jets, at least one of which is tagged as coming from a b quark; 149 events pass all the selection requirements. They find M_meas = 169.8 ± 2.3(stat.) ± 1.4(syst.) GeV/c².

Controlling excited-state contamination in nucleon matrix elements

Energy Technology Data Exchange (ETDEWEB)

Yoon, Boram; Gupta, Rajan; Bhattacharya, Tanmoy; Engelhardt, Michael; Green, Jeremy; Joó, Bálint; Lin, Huey-Wen; Negele, John; Orginos, Kostas; Pochinsky, Andrew; Richards, David; Syritsyn, Sergey; Winter, Frank

2016-06-01

We present a detailed analysis of methods to reduce statistical errors and excited-state contamination in the calculation of matrix elements of quark bilinear operators in nucleon states. All the calculations were done on a 2+1 flavor ensemble with lattices of size $32^3 \\times 64$ generated using the rational hybrid Monte Carlo algorithm at $a=0.081$~fm and with $M_\\pi=312$~MeV. The statistical precision of the data is improved using the all-mode-averaging method. We compare two methods for reducing excited-state contamination: a variational analysis and a two-state fit to data at multiple values of the source-sink separation $t_{\\rm sep}$. We show that both methods can be tuned to significantly reduce excited-state contamination and discuss their relative advantages and cost-effectiveness. A detailed analysis of the size of source smearing used in the calculation of quark propagators and the range of values of $t_{\\rm sep}$ needed to demonstrate convergence of the isovector charges of the nucleon to the $t_{\\rm sep} \\to \\infty $ estimates is presented.

Matrix-type multiple reciprocity boundary element method for solving three-dimensional two-group neutron diffusion equations

International Nuclear Information System (INIS)

Itagaki, Masafumi; Sahashi, Naoki.

1997-01-01

The multiple reciprocity boundary element method has been applied to three-dimensional two-group neutron diffusion problems. A matrix-type boundary integral equation has been derived to solve the first and the second group neutron diffusion equations simultaneously. The matrix-type fundamental solutions used here satisfy the equation which has a point source term and is adjoint to the neutron diffusion equations. A multiple reciprocity method has been employed to transform the matrix-type domain integral related to the fission source into an equivalent boundary one. The higher order fundamental solutions required for this formulation are composed of a series of two types of analytic functions. The eigenvalue itself is also calculated using only boundary integrals. Three-dimensional test calculations indicate that the present method provides stable and accurate solutions for criticality problems. (author)

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.

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.)

Study on the fabrication of Al matrix composites strengthened by combined in-situ alumina particle and in-situ alloying elements

International Nuclear Information System (INIS)

Huang Zanjun; Yang Bin; Cui Hua; Zhang Jishan

2003-01-01

A new idea to fabricate aluminum matrix composites strengthened by combined in-situ particle strengthening and in-situ alloying has been proposed. Following the concept of in-situ alloying and in-situ particle strengthening, aluminum matrix composites reinforced by Cu and α-Al 2 O 3 particulate (material I) and the same matrix reinforced by Cu, Si alloying elements and α-Al 2 O 3 particulate (material II) have been obtained. SEM observation, EDS and XRD analysis show that the alloy elements Cu and Si exist in the two materials, respectively. In-situ Al 2 O 3 particulates are generally spherical and their mean size is less than 0.5 μm. TEM observation shows that the in-situ α-Al 2 O 3 particulates have a good cohesion with the matrix. The reaction mechanism of the Al 2 O 3 particulate obtained by this method was studied. Thermodynamic considerations are given to the in-situ reactions and the distribution characteristic of in-situ the α-Al 2 O 3 particulate in the process of solidification is also discussed

Finite element implementation and numerical issues of strain gradient plasticity with application to metal matrix composites

DEFF Research Database (Denmark)

Frederiksson, Per; Gudmundson, Peter; Mikkelsen, Lars Pilgaard

2009-01-01

A framework of finite element equations for strain gradient plasticity is presented. The theoretical framework requires plastic strain degrees of freedom in addition to displacements and a plane strain version is implemented into a commercial finite element code. A couple of different elements...... of quadrilateral type are examined and a few numerical issues are addressed related to these elements as well as to strain gradient plasticity theories in general. Numerical results are presented for an idealized cell model of a metal matrix composite under shear loading. It is shown that strengthening due...... to fiber size is captured but strengthening due to fiber shape is not. A few modelling aspects of this problem are discussed as well. An analytic solution is also presented which illustrates similarities to other theories....

Factors that influence an elemental depth concentration profile

International Nuclear Information System (INIS)

McHugh, J.A.

1975-01-01

The use of secondary ion mass spectrometry in concentration profiling is discussed. Two classes of factors that influence an elemental concentration profile are instrumental effects and ion-matrix effects. Instrumental factors that must be considered are: (1) uniformity of the primary ion current density, (2) constancy of the primary ion current, (3) redeposition, (4) memory, (5) primary ion beam tailing and the nonfocused component, (6) chemical purity of the primary ion beam, and (7) residual gas impurities. Factors which can be classified as ion matrix effects are: (1) the mean escape depth of secondary ions, (2) recoil implantation, (3) molecular ion interferences, (4) primary ion beam induced diffusion of matrix species, (5) nonuniform sputter removal of matrix layers, and (6) implanted primary ion chemical and lattice damage effects

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

Ground-state properties of third-row elements with nonlocal density functionals

International Nuclear Information System (INIS)

Bagno, P.; Jepsen, O.; Gunnarsson, O.

1989-01-01

The cohesive energy, the lattice parameter, and the bulk modulus of third-row elements are calculated using the Langreth-Mehl-Hu (LMH), the Perdew-Wang (PW), and the gradient expansion functionals. The PW functional is found to give somewhat better results than the LMH functional and both are found to typically remove half the errors in the local-spin-density (LSD) approximation, while the gradient expansion gives worse results than the local-density approximation. For Fe both the LMH and PW functionals correctly predict a ferromagnetic bcc ground state, while the LSD approximation and the gradient expansion predict a nonmagnetic fcc ground state

Nucleon distribution apmlitudes and proton decay matrix elements on the lattice

Energy Technology Data Exchange (ETDEWEB)

Braun, Vladimir M.; Goeckeler, Meinulf [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Horsley, Roger [Edinburgh Univ. (GB). School of Physics] (and others)

2008-11-15

Baryon distribution amplitudes (DAs) are crucial for the theory of hard exclusive reactions. We present a calculation of the first few moments of the leading-twist nucleon DA within lattice QCD. In addition we deal with the normalization of the next-to-leading (twist-four) DAs. The matrix elements determining the latter quantities are also responsible for proton decay in Grand Unified Theories. Our lattice evaluation makes use of gauge field configurations generated with two flavors of clover fermions. The relevant operators are renormalized nonperturbatively with the final results given in the MS scheme. We find that the deviation of the leading-twist nucleon DA from its asymptotic form is less pronounced than sometimes claimed in the literature. (orig.)

Massive 3-loop ladder diagrams for quarkonic local operator matrix elements

International Nuclear Information System (INIS)

Ablinger, Jakob; Blümlein, Johannes; Hasselhuhn, Alexander; Klein, Sebastian; Schneider, Carsten; Wißbrock, Fabian

2012-01-01

3-loop diagrams of the ladder-type, which emerge for local quarkonic twist-2 operator matrix elements, are computed directly for general values of the Mellin variable N using Appell-function representations and applying modern summation technologies provided by the package Sigma and the method of hyperlogarithms. In some of the diagrams generalized harmonic sums with ξ∈{1,1/2,2} emerge beyond the usual nested harmonic sums. As the asymptotic representation of the corresponding integrals shows, the generalized sums conspire giving well behaved expressions for large values of N. These diagrams contribute to the 3-loop heavy flavor Wilson coefficients of the structure functions in deep-inelastic scattering in the region Q 2 ≫m 2 .

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

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.

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)

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.

Characterization of Phase Transition in Heisenberg Fluids from Density Functional Theory

International Nuclear Information System (INIS)

Li Liangsheng; Li Li; Chen Xiaosong

2009-01-01

The phase transition of Heisenberg fluid has been investigated with the density functional theory in mean-field approximation (MF). The matrix of the second derivatives of the grand canonical potential Ω with respect to the particle density fluctuations and the magnetization fluctuations has been investigated and diagonalized. The smallest eigenvalue being 0 signalizes the phase instability and the related eigenvector characterizes this phase transition. We find a Curie line where the order parameter is pure magnetization and a spinodal where the order parameter is a mixture of particle density and magnetization. Along the spinodal, the character of phase instability changes continuously from predominant condensation to predominant ferromagnetic phase transition with the decrease of total density. The spinodal meets the Curie line at the critical endpoint with the reduced density ρ* = ρσ 3 = 0.224 and the reduced temperature T* = kT/ element of = 1.87 (σ is the diameter of Heisenberg hard sphere and element of is the coupling constant).

Reactor calculation in coarse mesh by finite element method applied to matrix response method

International Nuclear Information System (INIS)

Nakata, H.

1982-01-01

The finite element method is applied to the solution of the modified formulation of the matrix-response method aiming to do reactor calculations in coarse mesh. Good results are obtained with a short running time. The method is applicable to problems where the heterogeneity is predominant and to problems of evolution in coarse meshes where the burnup is variable in one same coarse mesh, making the cross section vary spatially with the evolution. (E.G.) [pt

Nucleon scalar matrix elements with N{sub f}=2+1+1 twisted mass fermions

Energy Technology Data Exchange (ETDEWEB)

Dinter, Simon; Drach, Vincent; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

2011-12-15

We investigate scalar matrix elements of the nucleon using N{sub f}=2+1+1 flavors of maximally twisted mass fermions at a fixed value of the lattice spacing of a{approx}0.078 fm. We compute disconnected contributions to the relevant three-point functions using an efficient noise reduction technique. Using these methods together with an only multiplicative renormalization applicable for twisted mass fermions, allows us to obtain accurate results in the light and strange sector. (orig.)

Distribution of trace elements in selected pulverized coals as a function of particle size and density

Science.gov (United States)

Senior, C.L.; Zeng, T.; Che, J.; Ames, M.R.; Sarofim, A.F.; Olmez, I.; Huggins, Frank E.; Shah, N.; Huffman, G.P.; Kolker, A.; Mroczkowski, S.; Palmer, C.; Finkelman, R.

2000-01-01

Trace elements in coal have diverse modes of occurrence that will greatly influence their behavior in many coal utilization processes. Mode of occurrence is important in determining the partitioning during coal cleaning by conventional processes, the susceptibility to oxidation upon exposure to air, as well as the changes in physical properties upon heating. In this study, three complementary methods were used to determine the concentrations and chemical states of trace elements in pulverized samples of four US coals: Pittsburgh, Illinois No. 6, Elkhorn and Hazard, and Wyodak coals. Neutron Activation Analysis (NAA) was used to measure the absolute concentration of elements in the parent coals and in the size- and density-fractionated samples. Chemical leaching and X-ray absorption fine structure (XAFS) spectroscopy were used to provide information on the form of occurrence of an element in the parent coals. The composition differences between size-segregated coal samples of different density mainly reflect the large density difference between minerals, especially pyrite, and the organic portion of the coal. The heavy density fractions are therefore enriched in pyrite and the elements associated with pyrite, as also shown by the leaching and XAFS methods. Nearly all the As is associated with pyrite in the three bituminous coals studied. The sub-bituminous coal has a very low content of pyrite and arsenic; in this coal arsenic appears to be primarily organically associated. Selenium is mainly associated with pyrite in the bituminous coal samples. In two bituminous coal samples, zinc is mostly in the form of ZnS or associated with pyrite, whereas it appears to be associated with other minerals in the other two coals. Zinc is also the only trace element studied that is significantly more concentrated in the smaller (45 to 63 ??m) coal particles.

High-Energy Anomaly in the Angle-Resolved Photoemission Spectra of Nd2-xCexCuO4: Evidence for a Matrix Element Effect

Science.gov (United States)

Rienks, E. D. L.; ńrrälä, M.; Lindroos, M.; Roth, F.; Tabis, W.; Yu, G.; Greven, M.; Fink, J.

2014-09-01

We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd2-xCexCuO4, x =0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

High-energy anomaly in the angle-resolved photoemission spectra of Nd(2-x)Ce(x)CuO₄: evidence for a matrix element effect.

Science.gov (United States)

Rienks, E D L; Ärrälä, M; Lindroos, M; Roth, F; Tabis, W; Yu, G; Greven, M; Fink, J

2014-09-26

We use polarization-dependent angle-resolved photoemission spectroscopy (ARPES) to study the high-energy anomaly (HEA) in the dispersion of Nd(2-x)Ce(x)CuO₄, x=0.123. We find that at particular photon energies the anomalous, waterfall-like dispersion gives way to a broad, continuous band. This suggests that the HEA is a matrix element effect: it arises due to a suppression of the intensity of the broadened quasiparticle band in a narrow momentum range. We confirm this interpretation experimentally, by showing that the HEA appears when the matrix element is suppressed deliberately by changing the light polarization. Calculations of the matrix element using atomic wave functions and simulation of the ARPES intensity with one-step model calculations provide further evidence for this scenario. The possibility to detect the full quasiparticle dispersion further allows us to extract the high-energy self-energy function near the center and at the edge of the Brillouin zone.

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.

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).

Three-loop contributions to the gluonic massive operator matrix elements at general values of N

Energy Technology Data Exchange (ETDEWEB)

Ablinger, Jakob; Hasselhuhn, Alexander [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); De Freitas, Abilio; Round, Mark; Schneider, Carsten; Wissbrock, Fabian [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation; Klein, Sebastian [RWTH Aachen Univ. (Germany). Inst. fuer Theoretische Physik E

2012-12-15

Recent results on the calculation of 3-loop massive operator matrix elements in case of one and two heavy quark masses are reported. They concern the O(n{sub f}T{sup 2}{sub F}C{sub F,A}) and O(T{sup 2}{sub F}C{sub F,A}) gluonic corrections, two-mass quarkonic moments, and ladder- and Benz-topologies. We also discuss technical aspects of the calculations.

Matrix elements and transition probabilities of interaction of electromagnetic field with a hydrogen-like atom

International Nuclear Information System (INIS)

Rajput, B.S.

1977-01-01

Using the reduced expansions of second quantized electromagnetic vector potential operator in terms of irreducible representations of Pioncare group in the interaction Hamiltonian, the exact matrix elements of interaction of electromagnetic field with a hydrogenic atom have been derived and the contributions of transitions for different combinations of angular momentum quantum numbers to the transition probabilities of various lines in Lyman-, Balmer-, and Paschen-series have been computed. (author)

Neutrino mass matrix: Inverted hierarchy and CP violation

International Nuclear Information System (INIS)

Frigerio, Michele; Smirnov, Alexei Yu.

2003-01-01

We reconstruct the neutrino mass matrix in the flavor basis, in the case of an inverted mass hierarchy (ordering), using all available experimental data on neutrino masses and oscillations. We analyze the dependence of the matrix elements m αβ on the CP violating Dirac δ and Majorana ρ and σ phases, for different values of the absolute mass scale. We find that the present data admit various structures of the mass matrix: (i) hierarchical structures with a set of small (zero) elements; (ii) structures with equalities among various groups of elements: e-row and/or μτ-block elements, diagonal and/or off-diagonal elements; (iii) 'democratic' structure. We find the values of phases for which these structures are realized. The mass matrix elements can anticorrelate with flavor: inverted partial or complete flavor alignment is possible. For various structures of the mass matrix we identify the possible underlying symmetry. We find that the mass matrix can be reconstructed completely only in particular cases, provided that the absolute scale of the mass is measured. Generally, the freedom related to the Majorana phase σ will not be removed, thus admitting various types of mass matrix

First determination of the quark mixing matrix element $V_{tb}$ from electroweak corrections to Z decays and implications for CKM matrix unitarity

CERN Document Server

Swain, J D

1999-01-01

We present a new method for the determination of the Cabibbo- Kobayashi-Maskawa quark mixing matrix element V/sub tb/ from electroweak loop corrections, in particular those affecting the process Z to bb. From a combined analysis of results from the LEP, SLC, Tevatron, and neutrino scattering experiments we determine V /sub tb/=0.77/sub -0.24//sup +18/. We comment briefly on the implications of this measurement for the mass of the top quark and Higgs boson, alpha /sub s/, and CKM unitarity. (19 refs).

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.

An experimentalist's guide to the matrix element in angle resolved photoemission

International Nuclear Information System (INIS)

Moser, Simon

2017-01-01

Highlights: • An introduction to the art of angle resolved photoemission is presented. • Matrix element effects are described by a nearly free electron final state model. • ARPES spectral weight of a Bloch band can be calculated from the Fourier transform of its Wannier orbital. • Experimental handedness and improper polarization introduce dichroism. • Instructive showcases from modern ARPES are discussed in detail. - Abstract: Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful probe of the one-electron removal spectral function in ordered solid state. With increasing efficiency of light sources and spectrometers, experiments over a wide range of emission angles become more and more common. Consequently, the angular variation of ARPES spectral weight – often times termed “matrix element effect” – enters as an additional source of information. In this tutorial, we develop a simple but instructive free electron final state approach based on the three-step model to describe the intensity distribution in ARPES. We find a compact expression showing that the ARPES spectral weight of a given Bloch band is essentially determined by the momentum distribution (the Fourier transform) of its associated Wannier orbital – times a polarization dependent pre-factor. While the former is giving direct information on the symmetry and shape of the electronic wave function, the latter can give rise to surprising geometric effects. We discuss a variety of modern and instructive experimental showcases for which this simplistic formalism works astonishingly well and discuss the limits of this approach.

An experimentalist's guide to the matrix element in angle resolved photoemission

Energy Technology Data Exchange (ETDEWEB)

Moser, Simon, E-mail: skmoser@lbl.gov [Advanced Light Source (ALS), Berkeley, CA 94720 (United States); Institute of Physics (IPHYS), Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland)

2017-01-15

Highlights: • An introduction to the art of angle resolved photoemission is presented. • Matrix element effects are described by a nearly free electron final state model. • ARPES spectral weight of a Bloch band can be calculated from the Fourier transform of its Wannier orbital. • Experimental handedness and improper polarization introduce dichroism. • Instructive showcases from modern ARPES are discussed in detail. - Abstract: Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful probe of the one-electron removal spectral function in ordered solid state. With increasing efficiency of light sources and spectrometers, experiments over a wide range of emission angles become more and more common. Consequently, the angular variation of ARPES spectral weight – often times termed “matrix element effect” – enters as an additional source of information. In this tutorial, we develop a simple but instructive free electron final state approach based on the three-step model to describe the intensity distribution in ARPES. We find a compact expression showing that the ARPES spectral weight of a given Bloch band is essentially determined by the momentum distribution (the Fourier transform) of its associated Wannier orbital – times a polarization dependent pre-factor. While the former is giving direct information on the symmetry and shape of the electronic wave function, the latter can give rise to surprising geometric effects. We discuss a variety of modern and instructive experimental showcases for which this simplistic formalism works astonishingly well and discuss the limits of this approach.

Reactive synthesis of NbAl3 matrix composites

International Nuclear Information System (INIS)

Lu, L.; Kim, Y.S.; Gokhale, A.B.; Abbaschian, R.

1990-01-01

NbAl 3 matrix composites were synthesized in-situ via reactive hot compaction (RHC) of elemental powders. It was found that the simultaneous application of pressure during synthesis was effective in attaining a near-theoretical density matrix at relatively low temperatures and pressures. Using this technique, two types of composites were produced: matrices containing a uniform dispersion of second phase particles (either Nb 3 Al or Nb 2 Al with an Nb core or Nb 2 Al) and matrices reinforced with coated or uncoated ductile Nb filaments. It was found that a limited amount of toughening is obtained using the first approach, while composites containing coated Nb filaments exhibited a significant increase in the ambient temperature fracture toughness. In this paper, various aspects of RHC processing of NbAl 3 matrix composites, the effect of initial stoichiometry and powder size on the microstructure, as well as the mechanical behavior of the composites are discussed

Form of multicomponent Fickian diffusion coefficients matrix

International Nuclear Information System (INIS)

Wambui Mutoru, J.; Firoozabadi, Abbas

2011-01-01

Highlights: → Irreversible thermodynamics establishes form of multicomponent diffusion coefficients. → Phenomenological coefficients and thermodynamic factors affect sign of diffusion coefficients. → Negative diagonal elements of diffusion coefficients matrix can occur in non-ideal mixtures. → Eigenvalues of the matrix of Fickian diffusion coefficients may not be all real. - Abstract: The form of multicomponent Fickian diffusion coefficients matrix in thermodynamically stable mixtures is established based on the form of phenomenological coefficients and thermodynamic factors. While phenomenological coefficients form a symmetric positive definite matrix, the determinant of thermodynamic factors matrix is positive. As a result, the Fickian diffusion coefficients matrix has a positive determinant, but its elements - including diagonal elements - can be negative. Comprehensive survey of reported diffusion coefficients data for ternary and quaternary mixtures, confirms that invariably the determinant of the Fickian diffusion coefficients matrix is positive.

Elimination of matrix effect in quantitative analysis of elements using x-ray fluorescence

International Nuclear Information System (INIS)

Sampaio, R.V.

1973-07-01

The emission-transmission method of Leroux and Mahmud, an experimental technique for compensating matrix effects in photon excited X-ray fluorescence analysis, was used to determine the concentration of lead and antimony in pellets of galalith. The effect of interfering elements was studied by adding various concentrations of mercury and tin to the respective pellets. To illustrate possible environmental applications, a number of pellets was prepared from leaves of almond trees located in different regions of Rio de Janeiro. Lead concentrations were determined for the dried leaf material and showed values ranging from 50 to 145 parts per million [pt

Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO Radar Based on the Elements of the Covariance Matrix

Directory of Open Access Journals (Sweden)

Zhengyan Zhang

2018-03-01

Full Text Available In this paper, we consider the problem of tracking the direction of arrivals (DOA and the direction of departure (DOD of multiple targets for bistatic multiple-input multiple-output (MIMO radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

Multi-Target Angle Tracking Algorithm for Bistatic Multiple-Input Multiple-Output (MIMO) Radar Based on the Elements of the Covariance Matrix.

Science.gov (United States)

Zhang, Zhengyan; Zhang, Jianyun; Zhou, Qingsong; Li, Xiaobo

2018-03-07

In this paper, we consider the problem of tracking the direction of arrivals (DOA) and the direction of departure (DOD) of multiple targets for bistatic multiple-input multiple-output (MIMO) radar. A high-precision tracking algorithm for target angle is proposed. First, the linear relationship between the covariance matrix difference and the angle difference of the adjacent moment was obtained through three approximate relations. Then, the proposed algorithm obtained the relationship between the elements in the covariance matrix difference. On this basis, the performance of the algorithm was improved by averaging the covariance matrix element. Finally, the least square method was used to estimate the DOD and DOA. The algorithm realized the automatic correlation of the angle and provided better performance when compared with the adaptive asymmetric joint diagonalization (AAJD) algorithm. The simulation results demonstrated the effectiveness of the proposed algorithm. The algorithm provides the technical support for the practical application of MIMO radar.

Phenomenology of the CKM matrix

International Nuclear Information System (INIS)

Nir, Y.

1989-01-01

The way in which an exact determination of the CKM matrix elements tests the standard Model is demonstrated by a two-generation example. The determination of matrix elements from meson semileptonic decays is explained, with an emphasis on the respective reliability of quark level and meson level calculations. The assumptions involved in the use of loop processes are described. Finally, the state of the art of the knowledge of the CKM matrix is presented. 19 refs., 2 figs

Element-specific density profiles in interacting biomembrane models

International Nuclear Information System (INIS)

Schneck, Emanuel; Rodriguez-Loureiro, Ignacio; Bertinetti, Luca; Gochev, Georgi; Marin, Egor; Novikov, Dmitri; Konovalov, Oleg

2017-01-01

Surface interactions involving biomembranes, such as cell–cell interactions or membrane contacts inside cells play important roles in numerous biological processes. Structural insight into the interacting surfaces is a prerequisite to understand the interaction characteristics as well as the underlying physical mechanisms. Here, we work with simplified planar experimental models of membrane surfaces, composed of lipids and lipopolymers. Their interaction is quantified in terms of pressure–distance curves using ellipsometry at controlled dehydrating (interaction) pressures. For selected pressures, their internal structure is investigated by standing-wave x-ray fluorescence (SWXF). This technique yields specific density profiles of the chemical elements P and S belonging to lipid headgroups and polymer chains, as well as counter-ion profiles for charged surfaces. (paper)

Matrix effect studies with empirical formulations in maize saplings

International Nuclear Information System (INIS)

Bansal, Meenakshi; Deep, Kanan; Mittal, Raj

2012-01-01

In X-ray fluorescence, the earlier derived matrix effects from fundamental relations of intensities of analyte/matrix elements with basic atomic and experimental setup parameters and tested on synthetic known samples were found empirically related to analyte/matrix elemental amounts. The present study involves the application of these relations on potassium and calcium macronutrients of maize saplings treated with different fertilizers. The novelty of work involves a determination of an element in the presence of its secondary excitation rather than avoiding the secondary fluorescence. Therefore, the possible utility of this process is in studying the absorption for some intermediate samples in a lot of a category of samples with close Z interfering constituents (just like Ca and K). Once the absorption and enhancement terms are fitted to elemental amounts and fitted coefficients are determined, with the absorption terms from the fit and an enhancer element amount known from its selective excitation, the next iterative elemental amount can be directly evaluated from the relations. - Highlights: ► Empirical formulation for matrix corrections in terms of amounts of analyte and matrix element. ► The study applied on K and Ca nutrients of maize, rice and potato organic materials. ► The formulation provides matrix terms from amounts of analyte/matrix elements and vice versa.

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.

A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis

Science.gov (United States)

Lane, John

2009-01-01

A simple 2D M N matrix involving sample preparation enables the microanalyst to peer below the noise floor of element percentages reported by the SEM/EDX (scanning electron microscopy/ energy dispersive x-ray) analysis, thus yielding more meaningful data. Using the example of a 2 3 sample set, there are M = 2 concentration levels of the original mix under test: 10 percent ilmenite (90 percent silica) and 20 percent ilmenite (80 percent silica). For each of these M samples, N = 3 separate SEM/EDX samples were drawn. In this test, ilmenite is the element of interest. By plotting the linear trend of the M sample s known concentration versus the average of the N samples, a much higher resolution of elemental analysis can be performed. The resulting trend also shows how the noise is affecting the data, and at what point (of smaller concentrations) is it impractical to try to extract any further useful data.

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.

Density and starting-energy dependent effective interaction

International Nuclear Information System (INIS)

Yamaguchi, Norio; Nagata, Sinobu; Kasuga, Teruo

1979-01-01

A new effective potential constructed from the reaction matrix calculation of nuclear matters is proposed, taking three-body effects into account. Starting from the two-body scattering equation for nuclear matters, an equation with averaged momentum is introduced as the definition of effective interaction. The parameters in the equation are the Fermi momentum and the starting energy. The nuclear density dependence and the starting energy dependence are independently treated in the potential. The effective interactions including three-body effects were calculated. The dependence on the starting energy is large. The effective interaction is more attractive in the triplet E state, and assures overall saturation without any artificial renormalization. The reaction matrix calculation can be well reproduced by the calculation with this effective potential. The results of calculation for the binding energy of He-4 and O-16 and the shell model matrix elements of O-16 are represented. (Kato, T.)

Micromechanics of deformation of metallic-glass-matrix composites from in situ synchrotron strain measurements and finite element modeling

International Nuclear Information System (INIS)

Ott, R.T.; Sansoz, F.; Molinari, J.F.; Almer, J.; Ramesh, K.T.; Hufunagel, T.C.

2005-01-01

In situ X-ray scattering and finite element modeling (FEM) were used to examine the micromechanics of deformation of in situ formed metallic-glass-matrix composites consisting of Ta-rich particles dispersed in an amorphous matrix. The strain measurements show that under uniaxial compression the second-phase particles yield at an applied stress of approx. 325 MPa. After yielding, the particles do not strain harden significantly; we show that this is due to an increasingly hydrostatic stress state arising from the lateral constraint on deformation of the particles imposed by the elastic matrix. Shear band initiation in the matrix is not due to the difference in elastic properties between the matrix and the particles. Rather, the development of a plastic misfit strain causes stress concentrations around the particles, resulting in localized yielding of the matrix by shear band formation at an applied stress of approx. 1450 MPa, considerably lower than the macroscopic yield stress of the composite (approx. 1725 MPa). Shear bands do not propagate at the lower stress because the yield criterion of the matrix is only satisfied in the region immediately around the particles. At the higher stresses, the yield criterion is satisfied in large regions of the matrix, allowing extensive shear band propagation and significant macroscopic plastic deformation. However, the presence of the particles makes the stress state highly inhomogeneous, which may partially explain why fracture is suppressed in the composite, allowing the development of large plastic strains

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

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.

Matrix calculus

CERN Document Server

Bodewig, E

1959-01-01

Matrix Calculus, Second Revised and Enlarged Edition focuses on systematic calculation with the building blocks of a matrix and rows and columns, shunning the use of individual elements. The publication first offers information on vectors, matrices, further applications, measures of the magnitude of a matrix, and forms. The text then examines eigenvalues and exact solutions, including the characteristic equation, eigenrows, extremum properties of the eigenvalues, bounds for the eigenvalues, elementary divisors, and bounds for the determinant. The text ponders on approximate solutions, as well

Probabilistic homogenization of random composite with ellipsoidal particle reinforcement by the iterative stochastic finite element method

Science.gov (United States)

Sokołowski, Damian; Kamiński, Marcin

2018-01-01

This study proposes a framework for determination of basic probabilistic characteristics of the orthotropic homogenized elastic properties of the periodic composite reinforced with ellipsoidal particles and a high stiffness contrast between the reinforcement and the matrix. Homogenization problem, solved by the Iterative Stochastic Finite Element Method (ISFEM) is implemented according to the stochastic perturbation, Monte Carlo simulation and semi-analytical techniques with the use of cubic Representative Volume Element (RVE) of this composite containing single particle. The given input Gaussian random variable is Young modulus of the matrix, while 3D homogenization scheme is based on numerical determination of the strain energy of the RVE under uniform unit stretches carried out in the FEM system ABAQUS. The entire series of several deterministic solutions with varying Young modulus of the matrix serves for the Weighted Least Squares Method (WLSM) recovery of polynomial response functions finally used in stochastic Taylor expansions inherent for the ISFEM. A numerical example consists of the High Density Polyurethane (HDPU) reinforced with the Carbon Black particle. It is numerically investigated (1) if the resulting homogenized characteristics are also Gaussian and (2) how the uncertainty in matrix Young modulus affects the effective stiffness tensor components and their PDF (Probability Density Function).

Density-functional expansion methods: Grand challenges.

Science.gov (United States)

Giese, Timothy J; York, Darrin M

2012-03-01

We discuss the source of errors in semiempirical density functional expansion (VE) methods. In particular, we show that VE methods are capable of well-reproducing their standard Kohn-Sham density functional method counterparts, but suffer from large errors upon using one or more of these approximations: the limited size of the atomic orbital basis, the Slater monopole auxiliary basis description of the response density, and the one- and two-body treatment of the core-Hamiltonian matrix elements. In the process of discussing these approximations and highlighting their symptoms, we introduce a new model that supplements the second-order density-functional tight-binding model with a self-consistent charge-dependent chemical potential equalization correction; we review our recently reported method for generalizing the auxiliary basis description of the atomic orbital response density; and we decompose the first-order potential into a summation of additive atomic components and many-body corrections, and from this examination, we provide new insights and preliminary results that motivate and inspire new approximate treatments of the core-Hamiltonian.

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.

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

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."

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."

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...

Radiochemical separation and ICP-AES determination of some common metallic elements in ThO2 matrix

International Nuclear Information System (INIS)

Adya, V.C.; Hon, N.S.; Bangia, T.R.; Sastry, M.D.; Iyer, R.H.

1997-01-01

Radioactive tracer and also ICP-AES studies have been carried out to determine Al, Cd, Ca, Cr, Co, Cu, Mn, Mo and Pd in ThO 2 matrix after chemical separation. Di-2-ethyl-hexyl phosphoric acid/xylene/HNO 3 extraction system was used for quantitative separation of thorium. The recovery of elements as determined by tracers and ICP-AES was found to be quantitative within experimental error. (author). 3 refs., 1 tab

Study of osteoporosis through the measurement of bone mineral density and trace elements

International Nuclear Information System (INIS)

Aras, N.K.; Yilmaz, G.; Alkan, S.; Korkusuz, F.; Ungan, M.; Kuscu, L.; Laleli, Y.; Eksioglu, F.; Sepici, B.

2002-01-01

The main purpose of this study was to establish a relation, if any, between bone mineral density (BMD) of the healthy Turkish population of the ages between 15 and 50 with social and demographic information, family history of fractures, personal and inherited characteristic, smoking and alcohol habit, history of fertility, level of physical activity, food consumption especially trace elements and other variables. Most of these relations were discussed in the last two Research Coordinated Meetings, in San Diego, CA, October 1996 and Sao Paulo, Brazil, August 1998. Since then we have concentrated our work on more BMD and trace element measurements in bone

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).

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.

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.

Unified approach to numerical transfer matrix methods for disordered systems: applications to mixed crystals and to elasticity percolation

International Nuclear Information System (INIS)

Lemieux, M.A.; Breton, P.; Tremblay, A.M.S.

1985-01-01

It is shown that the Negative Eigenvalue Theorem and transfer matrix methods may be considered within a unified framework and generalized to compute projected densities of states or, more generally, any linear combination of matrix elements of the inverse of large symmetric random matrices. As examples of applications, extensive simulations for one- and two-mode behaviour in the Raman spectrum of one-dimensional mixed crystals and a finite-size analysis of critical exponents for the central force percolation universality class are presented

Level-density parameter of nuclei at finite temperature

International Nuclear Information System (INIS)

Gregoire, C.; Kuo, T.T.S.; Stout, D.B.

1991-01-01

The contribution of particle-particle (hole-hole) and of particle-hole ring diagrams to the nuclear level-density parameter at finite temperature is calculated. We first derive the correlated grand potential with the above ring diagrams included to all orders by way of a finite temperature RPA equation. An expression for the correlated level-density parameter is then obtained by differentiating the grand potential. Results obtained for the 40 Ca nucleus with realistic matrix elements derived from the Paris potential are presented. The contribution of the RPA correlations is found to be important, being significantly larger than typical Hartree-Fock results. The temperature dependence of the level-density parameter derived in the present work is generally similar to that obtained in a schematic model. Comparison with available experimental data is discussed. (orig.)

HELAC-Onia: an automatic matrix element generator for heavy quarkonium physics

CERN Document Server

Shao, Hua-Sheng

2013-01-01

By the virtues of the Dyson-Schwinger equations, we upgrade the published code \\mtt{HELAC} to be capable to calculate the heavy quarkonium helicity amplitudes in the framework of NRQCD factorization, which we dub \\mtt{HELAC-Onia}. We rewrote the original \\mtt{HELAC} to make the new program be able to calculate helicity amplitudes of multi P-wave quarkonium states production at hadron colliders and electron-positron colliders by including new P-wave off-shell currents. Therefore, besides the high efficiencies in computation of multi-leg processes within the Standard Model, \\mtt{HELAC-Onia} is also sufficiently numerical stable in dealing with P-wave quarkonia (e.g. $h_{c,b},\\chi_{c,b}$) and P-wave color-octet intermediate states. To the best of our knowledge, it is a first general-purpose automatic quarkonium matrix elements generator based on recursion relations on the market.

Matrix elements for the anti B{yields}X{sub s}{gamma} decay at NNLO

Energy Technology Data Exchange (ETDEWEB)

Schutzmeier, Thomas Paul

2009-12-17

In the context of the indirect search for non-standard physics in the flavour sector of the Standard Model (SM), one of the most interesting processes is the rare inclusive anti B{yields} X{sub s}{gamma} decay. On the one hand, being a flavour-changing neutral current, this B decay is sensitive to new physics, as it is loop-suppressed in the SM. On the other hand, it is only mildly affected by non-perturbative effects, and thus allows for precise theoretical predictions in the framework of renormalization-group improved perturbation theory. Accurate measurements as well as precise theoretical predictions with a good control over both perturbative and non-perturbative contributions have to be provided in order to derive stringent constraints on the parameter space of physics beyond the SM. On the experimental side, an outstanding accuracy in the measurement of the anti B{yields}X{sub s}{gamma} decay rate has been achieved, which is mainly due the specialized experiments BaBar and Belle at the so-called B factories. To match the small experimental uncertainty, higher order computations within an effective low-energy theory of the SM are mandatory. In fact, next-to-next-to-leading order (NNLO) QCD corrections are required to provide a prediction for the decay rate with the same precision as the measurement. The NNLO evaluation of the anti B{yields}X{sub s}{gamma} decay rate has been pursued by various groups over the last decade. The project was completed to a large extent and a first estimate at this level of perturbation theory was obtained in 2006. This prediction, however, lacks important contributions from yet unknown matrix elements, that were estimated from results which are only partially known to date. In this work, we provide a framework for the systematic study of the missing matrix elements at the NNLO. As main results of this thesis, we determine fermionic corrections to the charm quark mass dependent matrix elements of four-quark operators in the

Matrix elements of four-quark operators relevant to life time difference ΔΓBs from QCD sum rules

International Nuclear Information System (INIS)

Huang, C.S.; Zhang Ailin; Zhu, S.L.

2001-01-01

We extract the matrix elements of four-quark operators O L,S relevant to the B s and anti B s life time difference from QCD sum rules. We find that the vacuum saturation approximation works reasonably well, i.e., within 10%. We discuss the implications of our results and compare them with a recent lattice QCD determination. (orig.)

Random matrix theory for transition strengths: Applications and open questions

Science.gov (United States)

Kota, V. K. B.

2017-12-01

Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated interacting quantum many-particle systems. A finite quantum system, induced by a transition operator, makes transitions from its states to the states of the same system or to those of another system. Examples are electromagnetic transitions (then the initial and final systems are same), nuclear beta and double beta decay (then the initial and final systems are different) and so on. Using embedded ensembles (EE), there are efforts to derive a good statistical theory for transition strengths. With m fermions (or bosons) in N mean-field single particle levels and interacting via two-body forces, we have with GOE embedding, the so called EGOE(1+2). Now, the transition strength density (transition strength multiplied by the density of states at the initial and final energies) is a convolution of the density generated by the mean-field one-body part with a bivariate spreading function due to the two-body interaction. Using the embedding U(N) algebra, it is established, for a variety of transition operators, that the spreading function, for sufficiently strong interactions, is close to a bivariate Gaussian. Also, as the interaction strength increases, the spreading function exhibits a transition from bivariate Breit-Wigner to bivariate Gaussian form. In appropriate limits, this EE theory reduces to the polynomial theory of Draayer, French and Wong on one hand and to the theory due to Flambaum and Izrailev for one-body transition operators on the other. Using spin-cutoff factors for projecting angular momentum, the theory is applied to nuclear matrix elements for neutrinoless double beta decay (NDBD). In this paper we will describe: (i) various developments in the EE theory for transition strengths; (ii) results for nuclear matrix elements for 130Te and 136Xe NDBD; (iii) important open questions in the current form of the EE theory.

Low diversity, activity, and density of transposable elements in five avian genomes.

Science.gov (United States)

Gao, Bo; Wang, Saisai; Wang, Yali; Shen, Dan; Xue, Songlei; Chen, Cai; Cui, Hengmi; Song, Chengyi

2017-07-01

In this study, we conducted the activity, diversity, and density analysis of transposable elements (TEs) across five avian genomes (budgerigar, chicken, turkey, medium ground finch, and zebra finch) to explore the potential reason of small genome sizes of birds. We found that these avian genomes exhibited low density of TEs by about 10% of genome coverages and low diversity of TEs with the TE landscapes dominated by CR1 and ERV elements, and contrasting proliferation dynamics both between TE types and between species were observed across the five avian genomes. Phylogenetic analysis revealed that CR1 clade was more diverse in the family structure compared with R2 clade in birds; avian ERVs were classified into four clades (alpha, beta, gamma, and ERV-L) and belonged to three classes of ERV with an uneven distributed in these lineages. The activities of DNA and SINE TEs were very low in the evolution history of avian genomes; most LINEs and LTRs were ancient copies with a substantial decrease of activity in recent, with only LTRs and LINEs in chicken and zebra finch exhibiting weak activity in very recent, and very few TEs were intact; however, the recent activity may be underestimated due to the sequencing/assembly technologies in some species. Overall, this study demonstrates low diversity, activity, and density of TEs in the five avian species; highlights the differences of TEs in these lineages; and suggests that the current and recent activity of TEs in avian genomes is very limited, which may be one of the reasons of small genome sizes in birds.

Phenomenological renormalization of free nucleon-nucleon interaction. [Sussex matrix elements

Energy Technology Data Exchange (ETDEWEB)

Prakash, M; Waghmare, Y R [Indian Inst. of Tech., Kanpur. Dept. of Physics; Mehrotra, I [Allahabad Univ. (India). Dept. of Physics

1976-08-01

Low-lying spectra of /sup 6/Li, /sup 18/F, /sup 18/O, /sup 42/Sc, /sup 42/Ca, /sup 58/Ni and /sup 92/Zr are studied with Sussex matrix elements (SME) and their central, spin-orbit and tensor components. It is observed that major contribution to level energies comes from the central part, while the tensor part provides the finer details of spectra, particularly for T = 0 levels. The spin-orbit part does not make any appreciable contribution to level energies. A phenomenological renormalization fo the SME is carried out to improve the agreement with the experimental results. It turns out that some of the low-lying T = 0 levels can be satisfactorily described if the SME in the /sup 3/S/sub 1/ relative state are made (1+..cap alpha..) times their bare interaction value, where ..cap alpha.. is a constant to be determined from a comparison with experimental level energies. Similarly, for T = 1 levels, better agreement with the experimental results is obtained if a delta-function-plus-quadrupole interaction is added to the SME.

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.

Refractive index inversion based on Mueller matrix method

Science.gov (United States)

Fan, Huaxi; Wu, Wenyuan; Huang, Yanhua; Li, Zhaozhao

2016-03-01

Based on Stokes vector and Jones vector, the correlation between Mueller matrix elements and refractive index was studied with the result simplified, and through Mueller matrix way, the expression of refractive index inversion was deduced. The Mueller matrix elements, under different incident angle, are simulated through the expression of specular reflection so as to analyze the influence of the angle of incidence and refractive index on it, which is verified through the measure of the Mueller matrix elements of polished metal surface. Research shows that, under the condition of specular reflection, the result of Mueller matrix inversion is consistent with the experiment and can be used as an index of refraction of inversion method, and it provides a new way for target detection and recognition technology.

Matrix models with γstring>0

International Nuclear Information System (INIS)

Marzban, C.; Viswanathan, R.R.

1990-12-01

Within the framework of c = 1 matrix models, we consider multi-matrix models. A connection is established between a D-dimensional gas of fermions (bosons) for odd (even) values of D. A statistical mechanical analysis yields the scaling law for the free energy, and hence the susceptibility exponents for the various models. The exponents turn out to be positive for the multi-matrix models, suggesting that these could represent models of 2 d-gravity coupled to c>1 matter. Whereas in the c=1 case the density of states itself diverges as one approaches the critical point, in the D-matrix models various derivatives of the density of states diverge, with the order of the derivative depending on D. This qualitatively different behaviour of the density of states could be a signal of the conjectured ''phase transition'' at c=1. (author). 14 refs

The O({alpha}{sup 3}{sub s}n{sub f}T{sup 2}{sub F}C{sub A,F}) contributions to the gluonic massive operator matrix elements

Energy Technology Data Exchange (ETDEWEB)

Bluemlein, Johannes; Hasselhuhn, Alexander [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Klein, Sebastian [Technische Hochschule Aachen (Germany). Inst. fuer Theoretische Physik E; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation

2012-05-15

The O({alpha}{sub s}{sup 3}n{sub f}T{sub F}{sup 2}C{sub A,F}) terms to the massive gluonic operator matrix elements are calculated for general values of the Mellin variable N. These twist-2 matrix elements occur as transition functions in the variable flavor number scheme at NNLO. The calculation uses sum-representations in generalized hypergeometric series turning into harmonic sums. The analytic continuation to complex values of N is provided.

Adinkras from ordered quartets of BC4 Coxeter group elements and regarding another Gadget’s 1,358,954,496 matrix elements

Science.gov (United States)

Gates, S. James; Kang, Lucas; Kessler, David S.; Korotkikh, Vadim

2018-04-01

A Gadget, more precisely a scalar Gadget, is defined as a mathematical calculation acting over a domain of one or more adinkra graphs and whose range is a real number. A 2010 work on the subject of automorphisms of adinkra graphs, implied the existence of multiple numbers of Gadgets depending on the number of colors under consideration. For four colors, this number is two. In this work, we verify the existence of a second such Gadget and calculate (both analytically and via explicit computer-enabled algorithms) its 1,358,954,496 matrix elements over 36,864 minimal valise adinkras related to the Coxeter Group BC4.

Study of electron-molecule collisions via the finite-element method and R-matrix propagation technique: Model exchange

International Nuclear Information System (INIS)

Abdolsalami, F.; Abdolsalami, M.; Gomez, P.

1994-01-01

We have applied the finite-element method to electron-molecule collisions. All the calculations are done in the body frame within the fixed-nuclei approximation. A model potential, which is added to the static and polarization potential, has been used to represent the exchange effect. The method is applied to electron-H 2 scattering and the eigenphase sums and the cross sections obtained are in very good agreement with the corresponding results from the linear-algebraic approach. Finite-element calculations of the R matrix in the region where the static and exchange interactions are strong, however, has about one-half to one-fourth of the memory requirement of the linear-algebraic technique

The transition matrix element Agq(N) of the variable flavor number scheme at O(α3s)

International Nuclear Information System (INIS)

Ablinger, J.; Hasselhuhn, A.; Schneider, C.; Manteuffel, A. von

2014-01-01

We calculate the massive operator matrix element A (3) gq (N) to 3-loop order in Quantum Chromodynamics at general values of the Mellin variable N. This is the first complete transition function needed in the variable flavor number scheme obtained at O(α 3 s ). A fist independent recalculation is performed for the contributions ∝ N F of the 3-loop anomalous dimension γ (2) gq (N).

The transition matrix element Agq(N) of the variable flavor number scheme at O(αs3)

International Nuclear Information System (INIS)

Ablinger, J.; Blümlein, J.; De Freitas, A.; Hasselhuhn, A.; Manteuffel, A. von; Round, M.; Schneider, C.; Wißbrock, F.

2014-01-01

We calculate the massive unpolarized operator matrix element A gq (3) (N) to 3-loop order in Quantum Chromodynamics at general values of the Mellin variable N. This is the first complete transition function needed in the variable flavor number scheme obtained at O(α s 3 ). A first independent recalculation is performed for the contributions ∝N F of the 3-loop anomalous dimension γ gq (2) (N)

Time-dependent density-functional tight-binding method with the third-order expansion of electron density.

Science.gov (United States)

Nishimoto, Yoshio

2015-09-07

We develop a formalism for the calculation of excitation energies and excited state gradients for the self-consistent-charge density-functional tight-binding method with the third-order contributions of a Taylor series of the density functional theory energy with respect to the fluctuation of electron density (time-dependent density-functional tight-binding (TD-DFTB3)). The formulation of the excitation energy is based on the existing time-dependent density functional theory and the older TD-DFTB2 formulae. The analytical gradient is computed by solving Z-vector equations, and it requires one to calculate the third-order derivative of the total energy with respect to density matrix elements due to the inclusion of the third-order contributions. The comparison of adiabatic excitation energies for selected small and medium-size molecules using the TD-DFTB2 and TD-DFTB3 methods shows that the inclusion of the third-order contributions does not affect excitation energies significantly. A different set of parameters, which are optimized for DFTB3, slightly improves the prediction of adiabatic excitation energies statistically. The application of TD-DFTB for the prediction of absorption and fluorescence energies of cresyl violet demonstrates that TD-DFTB3 reproduced the experimental fluorescence energy quite well.

Simulation of sparse matrix array designs

Science.gov (United States)

Boehm, Rainer; Heckel, Thomas

2018-04-01

Matrix phased array probes are becoming more prominently used in industrial applications. The main drawbacks, using probes incorporating a very large number of transducer elements, are needed for an appropriate cabling and an ultrasonic device offering many parallel channels. Matrix arrays designed for extended functionality feature at least 64 or more elements. Typical arrangements are square matrices, e.g., 8 by 8 or 11 by 11 or rectangular matrixes, e.g., 8 by 16 or 10 by 12 to fit a 128-channel phased array system. In some phased array systems, the number of simultaneous active elements is limited to a certain number, e.g., 32 or 64. Those setups do not allow running the probe with all elements active, which may cause a significant change in the directivity pattern of the resulting sound beam. When only a subset of elements can be used during a single acquisition, different strategies may be applied to collect enough data for rebuilding the missing information from the echo signal. Omission of certain elements may be one approach, overlay of subsequent shots with different active areas may be another one. This paper presents the influence of a decreased number of active elements on the sound field and their distribution on the array. Solutions using subsets with different element activity patterns on matrix arrays and their advantages and disadvantages concerning the sound field are evaluated using semi-analytical simulation tools. Sound field criteria are discussed, which are significant for non-destructive testing results and for the system setup.

An approximate method for calculating electron-phonon matrix element of a disordered transition metal and relevant comments on superconductivity

International Nuclear Information System (INIS)

Zhang, L.

1981-08-01

A method based on the tight-binding approximation is developed to calculate the electron-phonon matrix element for the disordered transition metals. With the method as a basis the experimental Tsub(c) data of the amorphous transition metal superconductors are re-analysed. Some comments on the superconductivity of the disordered materials are given

Multiphonon K/sup π/+ states in even-even deformed nuclei. II. Calculation of matrix elements of a general Hamiltonian

International Nuclear Information System (INIS)

Silvestre-Brac, B.; Piepenbring, R.

1978-01-01

Matrix elements of a general Hamiltonian H in a subspace spanned by collective K/sup π/+ deformed phonons are derived with the help of recursion formulas. Various approximations are discussed both in the fermion space and in the boson space. Careful comparisons are made in the framework of a simple solvable model

New approach to nonleptonic weak interactions. I. Derivation of asymptotic selection rules for the two-particle weak ground-state-hadron matrix elements

International Nuclear Information System (INIS)

Tanuma, T.; Oneda, S.; Terasaki, K.

1984-01-01

A new approach to nonleptonic weak interactions is presented. It is argued that the presence and violation of the Vertical BarΔIVertical Bar = 1/2 rule as well as those of the quark-line selection rules can be explained in a unified way, along with other fundamental physical quantities [such as the value of g/sub A/(0) and the smallness of the isoscalar nucleon magnetic moments], in terms of a single dynamical asymptotic ansatz imposed at the level of observable hadrons. The ansatz prescribes a way in which asymptotic flavor SU(N) symmetry is secured levelwise for a certain class of chiral algebras in the standard QCD model. It yields severe asymptotic constraints upon the two-particle hadronic matrix elements of nonleptonic weak Hamiltonians as well as QCD currents and their charges. It produces for weak matrix elements the asymptotic Vertical BarΔIVertical Bar = 1/2 rule and its charm counterpart for the ground-state hadrons, while for strong matrix elements quark-line-like approximate selection rules. However, for the less important weak two-particle vertices involving higher excited states, the Vertical BarΔIVertical Bar = 1/2 rule and its charm counterpart are in general violated, providing us with an explicit source of the violation of these selection rules in physical processes

Impact of band structure and transition matrix elements on polarization properties of the photoluminescence of semipolar and nonpolar InGaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Schade, L.; Schwarz, U.T. [Department of Microsystems Engineering, University of Freiburg, Georges-Koehler-Allee 103, 79108 Freiburg (Germany); Fraunhofer Institute for Applied Solid State Physics (IAF), Tullastrasse 72, 79108 Freiburg (Germany); Wernicke, T. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Weyers, M. [Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany); Kneissl, M. [Institute of Solid State Physics, Technical University, Hardenbergstrasse 36, 10623 Berlin (Germany); Ferdinand-Braun-Institut fuer Hoechstfrequenztechnik, Gustav-Kirchhoff-Strasse 4, 12489 Berlin (Germany)

2011-03-15

Partial or full linear polarization is characteristic for the spontaneous emission of light from semipolar and nonpolar InGaN quantum wells. This property is an implication of the crystalline anisotropy as a basic property of the wurtzite structure. The influence of this anisotropy on the band structure and the transition matrix elements was calculated by a k.p-method for arbitrary quantum well orientations with respect to the c-axis; results are shown here in detail. Optical polarization is a direct consequence of a broken symmetry, mainly affecting the transition matrix elements from the conduction to the valence bands. Furthermore, the strain of the InGaN quantum well strongly depends on the crystal orientation of the substrate, resulting in a valence band mixing. The composition of the eigenfunctions has emerged to be most important for the polarization dependence of strained semipolar and nonpolar InGaN QW. The matrix elements, in combination with the thermal occupation of the bands, determine the polarization of the spontaneously emitted light. Our photoluminescence measurements of nonpolar QW match well with this model. However, in contrast to calculations with standard band parameters, the two topmost subbands show a larger separation in the emitted energy. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

The neutrons flux density calculations by Monte Carlo code for the double heterogeneity fuel

International Nuclear Information System (INIS)

Gurevich, M.I.; Brizgalov, V.I.

1994-01-01

This document provides the calculation technique for the fuel elements which consists of the one substance as a matrix and the other substance as the corn embedded in it. This technique can be used in the neutron flux density calculation by the universal Monte Carlo code. The estimation of accuracy is presented too. (authors). 6 refs., 1 fig

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

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.

The O({alpha}{sub s}{sup 3}n{sub f}T{sub F}{sup 2}C{sub A,F}) contributions to the gluonic massive operator matrix elements

Energy Technology Data Exchange (ETDEWEB)

Bluemlein, Johannes, E-mail: johannes.bluemlein@desy.de [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Hasselhuhn, Alexander [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Klein, Sebastian [Institute for Theoretical Physics E, RWTH Aachen University, D-52056 Aachen (Germany); Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstrasse 69, A-4040 Linz (Austria)

2013-01-11

The O({alpha}{sub s}{sup 3}n{sub f}T{sub F}{sup 2}C{sub A,F}) terms to the massive gluonic operator matrix elements are calculated for general values of the Mellin variable N using a new summation technique. These twist-2 matrix elements occur as transition functions in the variable flavor number scheme at NNLO. The calculation uses sum-representations in generalized hypergeometric series turning into harmonic sums. The analytic continuation to complex values of N is provided.

The O(αs3TF2) contributions to the gluonic operator matrix element

International Nuclear Information System (INIS)

Ablinger, J.; Blümlein, J.; De Freitas, A.; Hasselhuhn, A.; Manteuffel, A. von; Round, M.; Schneider, C.

2014-01-01

The O(α s 3 T F 2 C F (C A )) contributions to the transition matrix element A gg,Q relevant for the variable flavor number scheme at 3-loop order are calculated. The corresponding graphs contain two massive fermion lines of equal mass leading to terms given by inverse binomially weighted sums beyond the usual harmonic sums. In x-space two root-valued letters contribute in the iterated integrals in addition to those forming the harmonic polylogarithms. We outline technical details needed in the calculation of graphs of this type, which are as well of importance in the case of two different internal massive lines

Integrated optic vector-matrix multiplier

Science.gov (United States)

Watts, Michael R [Albuquerque, NM

2011-09-27

A vector-matrix multiplier is disclosed which uses N different wavelengths of light that are modulated with amplitudes representing elements of an N.times.1 vector and combined to form an input wavelength-division multiplexed (WDM) light stream. The input WDM light stream is split into N streamlets from which each wavelength of the light is individually coupled out and modulated for a second time using an input signal representing elements of an M.times.N matrix, and is then coupled into an output waveguide for each streamlet to form an output WDM light stream which is detected to generate a product of the vector and matrix. The vector-matrix multiplier can be formed as an integrated optical circuit using either waveguide amplitude modulators or ring resonator amplitude modulators.

Dynamic Matrix Rank

DEFF Research Database (Denmark)

Frandsen, Gudmund Skovbjerg; Frandsen, Peter Frands

2009-01-01

We consider maintaining information about the rank of a matrix under changes of the entries. For n×n matrices, we show an upper bound of O(n1.575) arithmetic operations and a lower bound of Ω(n) arithmetic operations per element change. The upper bound is valid when changing up to O(n0.575) entries...... in a single column of the matrix. We also give an algorithm that maintains the rank using O(n2) arithmetic operations per rank one update. These bounds appear to be the first nontrivial bounds for the problem. The upper bounds are valid for arbitrary fields, whereas the lower bound is valid for algebraically...... closed fields. The upper bound for element updates uses fast rectangular matrix multiplication, and the lower bound involves further development of an earlier technique for proving lower bounds for dynamic computation of rational functions....

Extraction of the CKM matrix element Vus from the hyperon semileptonic decays

International Nuclear Information System (INIS)

Sharma, N.; Dahiya, H.; Chatley, P.K.

2010-01-01

The chiral constituent quark model with configuration mixing (χCQM config ), which is successful in explaining the weak vector and axial-vector form factors for the strangeness-changing as well as strangeness-nonchanging hyperon semileptonic decays at Q 2 =0, has been extended to determine the CKM matrix element V us for the strangeness-changing decays. The implications of the effect of the SU(3) symmetry breaking, Q 2 -dependence and radiative corrections on the form factors and V us have also been investigated. It is found that the results with SU(3) symmetry breaking show considerable improvement over the SU(3) symmetric results when compared with the existing experimental data. The inclusion of the Q 2 -dependence and radiative corrections in form factors have only a small effect on the prediction of V us as is expected from the theory. (orig.)

Mechanisms Affecting Population Density in Fragmented Habitat

Directory of Open Access Journals (Sweden)

Lutz Tischendorf

2005-06-01

Full Text Available We conducted a factorial simulation experiment to analyze the relative importance of movement pattern, boundary-crossing probability, and mortality in habitat and matrix on population density, and its dependency on habitat fragmentation, as well as inter-patch distance. We also examined how the initial response of a species to a fragmentation event may affect our observations of population density in post-fragmentation experiments. We found that the boundary-crossing probability from habitat to matrix, which partly determines the emigration rate, is the most important determinant for population density within habitat patches. The probability of crossing a boundary from matrix to habitat had a weaker, but positive, effect on population density. Movement behavior in habitat had a stronger effect on population density than movement behavior in matrix. Habitat fragmentation and inter-patch distance may have a positive or negative effect on population density. The direction of both effects depends on two factors. First, when the boundary-crossing probability from habitat to matrix is high, population density may decline with increasing habitat fragmentation. Conversely, for species with a high matrix-to-habitat boundary-crossing probability, population density may increase with increasing habitat fragmentation. Second, the initial distribution of individuals across the landscape: we found that habitat fragmentation and inter-patch distance were positively correlated with population density when individuals were distributed across matrix and habitat at the beginning of our simulation experiments. The direction of these relationships changed to negative when individuals were initially distributed across habitat only. Our findings imply that the speed of the initial response of organisms to habitat fragmentation events may determine the direction of observed relationships between habitat fragmentation and population density. The time scale of post

Multivariate Matrix-Exponential Distributions

DEFF Research Database (Denmark)

Bladt, Mogens; Nielsen, Bo Friis

2010-01-01

be written as linear combinations of the elements in the exponential of a matrix. For this reason we shall refer to multivariate distributions with rational Laplace transform as multivariate matrix-exponential distributions (MVME). The marginal distributions of an MVME are univariate matrix......-exponential distributions. We prove a characterization that states that a distribution is an MVME distribution if and only if all non-negative, non-null linear combinations of the coordinates have a univariate matrix-exponential distribution. This theorem is analog to a well-known characterization theorem...

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.

Investigations on thermal properties, stress and deformation of Al/SiC metal matrix composite based on finite element method

Directory of Open Access Journals (Sweden)

K. A. Ramesh Kumar

2014-09-01

Full Text Available AlSiC is a metal matrix composite which comprises of aluminium matrix with silicon carbide particles. It is characterized by high thermal conductivity (180-200 W/m K, and its thermal expansion are attuned to match other important materials that finds enormous demand in industrial sectors. Although its application is very common, the physics behind the Al-SiC formation, functionality and behaviors are intricate owing to the temperature gradient of hundreds of degrees, over the volume, occurring on a time scale of a few seconds, involving multiple phases. In this study, various physical, metallurgical and numerical aspects such as equation of continuum for thermal, stress and deformation using finite element (FE matrix formulation, temperature dependent material properties, are analyzed. Modelling and simulation studies of Al/SiC composites are a preliminary attempt to view this research work from computational point of view.

Discontinuous Galerkin finite element method for solving population density functions of cortical pyramidal and thalamic neuronal populations.

Science.gov (United States)

Huang, Chih-Hsu; Lin, Chou-Ching K; Ju, Ming-Shaung

2015-02-01

Compared with the Monte Carlo method, the population density method is efficient for modeling collective dynamics of neuronal populations in human brain. In this method, a population density function describes the probabilistic distribution of states of all neurons in the population and it is governed by a hyperbolic partial differential equation. In the past, the problem was mainly solved by using the finite difference method. In a previous study, a continuous Galerkin finite element method was found better than the finite difference method for solving the hyperbolic partial differential equation; however, the population density function often has discontinuity and both methods suffer from a numerical stability problem. The goal of this study is to improve the numerical stability of the solution using discontinuous Galerkin finite element method. To test the performance of the new approach, interaction of a population of cortical pyramidal neurons and a population of thalamic neurons was simulated. The numerical results showed good agreement between results of discontinuous Galerkin finite element and Monte Carlo methods. The convergence and accuracy of the solutions are excellent. The numerical stability problem could be resolved using the discontinuous Galerkin finite element method which has total-variation-diminishing property. The efficient approach will be employed to simulate the electroencephalogram or dynamics of thalamocortical network which involves three populations, namely, thalamic reticular neurons, thalamocortical neurons and cortical pyramidal neurons. Copyright © 2014 Elsevier Ltd. All rights reserved.

Neutral kaon mixing beyond the Standard Model with nf=2+1 chiral fermions. Part 1: bare matrix elements and physical results

International Nuclear Information System (INIS)

Garron, Nicolas; Hudspith, Renwick J.; Lytle, Andrew T.

2016-01-01

We compute the hadronic matrix elements of the four-quark operators relevant for K 0 −K̄ 0 mixing beyond the Standard Model. Our results are from lattice QCD simulations with n f =2+1 flavours of domain-wall fermion, which exhibit continuum-like chiral-flavour symmetry. The simulations are performed at two different values of the lattice spacing (a∼0.08 and a∼0.11 fm) and with lightest unitary pion mass ∼300 MeV. For the first time, the full set of relevant four-quark operators is renormalised non-perturbatively through RI-SMOM schemes; a detailed description of the renormalisation procedure is presented in a companion paper. We argue that the intermediate renormalisation scheme is responsible for the discrepancies found by different collaborations. We also study different normalisations and determine the matrix elements of the relevant four-quark operators with a precision of ∼5% or better.

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...

Numerical Methods Application for Reinforced Concrete Elements-Theoretical Approach for Direct Stiffness Matrix Method

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Sergiu Ciprian Catinas

2015-07-01

Full Text Available A detailed theoretical and practical investigation of the reinforced concrete elements is due to recent techniques and method that are implemented in the construction market. More over a theoretical study is a demand for a better and faster approach nowadays due to rapid development of the calculus technique. The paper above will present a study for implementing in a static calculus the direct stiffness matrix method in order capable to address phenomena related to different stages of loading, rapid change of cross section area and physical properties. The method is a demand due to the fact that in our days the FEM (Finite Element Method is the only alternative to such a calculus and FEM are considered as expensive methods from the time and calculus resources point of view. The main goal in such a method is to create the moment-curvature diagram in the cross section that is analyzed. The paper above will express some of the most important techniques and new ideas as well in order to create the moment curvature graphic in the cross sections considered.