Correlated random-phase approximation from densities and in-medium matrix elements
Energy Technology Data Exchange (ETDEWEB)
Trippel, Richard; Roth, Robert [Institut fuer Kernphysik, Technische Universitaet Darmstadt (Germany)
2016-07-01
The random-phase approximation (RPA) as well as the second RPA (SRPA) are established tools for the study of collective excitations in nuclei. Addressing the well known lack of correlations, we derived a universal framework for a fully correlated RPA based on the use of one- and two-body densities. We apply densities from coupled cluster theory and investigate the impact of correlations. As an alternative approach to correlations we use matrix elements transformed via in-medium similarity renormalization group (IM-SRG) in combination with RPA and SRPA. We find that within SRPA the use of IM-SRG matrix elements leads to the disappearance of instabilities of low-lying states. For the calculations we use normal-ordered two- plus three-body interactions derived from chiral effective field theory. We apply different Hamiltonians to a number of doubly-magic nuclei and calculate electric transition strengths.
Off-diagonal helicity density matrix elements for vector mesons produced at LEP
International Nuclear Information System (INIS)
Anselmino, M.; Bertini, M.; Quintairos, P.
1997-05-01
Final state q q-bar interactions may give origin to non zero values of the off-diagonal element ρ 1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ and D * 's. Predictions are given for ρ1,-1 of several mesons produced at large z and small PT, collinear with the parent jet; the values obtained for θ and D * are in agreement with data. (author)
Differential cross sections and spin density matrix elements for the reaction gamma p -> p omega
Energy Technology Data Exchange (ETDEWEB)
M. Williams, D. Applegate, M. Bellis, C.A. Meyer
2009-12-01
High-statistics differential cross sections and spin density matrix elements for the reaction gamma p -> p omega have been measured using the CLAS at Jefferson Lab for center-of-mass (CM) energies from threshold up to 2.84 GeV. Results are reported in 112 10-MeV wide CM energy bins, each subdivided into cos(theta_CM) bins of width 0.1. These are the most precise and extensive omega photoproduction measurements to date. A number of prominent structures are clearly present in the data. Many of these have not previously been observed due to limited statistics in earlier measurements.
Spin Density Matrix Elements in exclusive production of ω mesons at Hermes
Directory of Open Access Journals (Sweden)
Marianski B.
2014-03-01
Full Text Available Spin density matrix elements have been determined for exclusive ω meson production on hydrogen and deuterium targets, in the kinematic region of 1.0 < Q2 < 10.0 GeV2, 3.0 < W < 6.3 GeV and –t' < 0.2 GeV2. The data, from which SDMEs are determined, were accumulated with the HERMES forward spectrometer during the running period of 1996 to 2007 using the 27.6 GeV electron or positron beam of HERA. A sizable contribution of unnatural parity exchange amplitudes is found for exclusive ω meson production.
Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers
Energy Technology Data Exchange (ETDEWEB)
Bury, Marcin; Hameren, Andreas van; Kutak, Krzysztof; Sapeta, Sebastian [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Jung, Hannes [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); DESY, Hamburg (Germany); Serino, Mirko [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Ben Gurion University of the Negev, Department of Physics, Beersheba (Israel)
2018-02-15
A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p{sub t} dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization. (orig.)
Institute of Scientific and Technical Information of China (English)
FAN Hong-Yi
2002-01-01
We show that the Wigner function W = Tr(△ρ) (an ensemble average of the density operator ρ, △ is theWigner operator) can be expressed as a matrix element of ρ in the entangled pure states. In doing so, converting fromquantum master equations to time-evolution equation of the Wigner functions seems direct and concise. The entangledstates are defined in the enlarged Fock space with a fictitious freedom.
Off-diagonal helicity density matrix elements for vector mesons produced in polarized e+e- processes
International Nuclear Information System (INIS)
Anselmino, M.; Murgia, F.; Quintairos, P.
1999-04-01
Final state q q-bar interactions give origin to non zero values of the off-diagonal element ρ 1,-1 of the helicity density matrix of vector mesons produced in e + e - annihilations, as confirmed by recent OPAL data on φ, D * and K * 's. New predictions are given for ρ 1,-1 of several mesons produced at large x E and small p T - i.e. collinear with the parent jet - in the annihilation of polarized 3 + and 3 - , the results depend strongly on the elementary dynamics and allow further non trivial tests of the standard model. (author)
Chen, Zhenhua; Chen, Xun; Wu, Wei
2013-04-01
In this series, the n-body reduced density matrix (n-RDM) approach for nonorthogonal orbitals and their applications to ab initio valence bond (VB) methods are presented. As the first paper of this series, Hamiltonian matrix elements between internally contracted VB wave functions are explicitly provided by means of nonorthogonal orbital based RDM approach. To this end, a more generalized Wick's theorem, called enhanced Wick's theorem, is presented both in arithmetical and in graphical forms, by which the deduction of expressions for the matrix elements between internally contracted VB wave functions is dramatically simplified, and the matrix elements are finally expressed in terms of tensor contractions of electronic integrals and n-RDMs of the reference VB self-consistent field wave function. A string-based algorithm is developed for the purpose of evaluating n-RDMs in an efficient way. Using the techniques presented in this paper, one is able to develop new methods and efficient algorithms for nonorthogonal orbital based many-electron theory much easier than by use of the first quantized formulism.
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.)
Energy Technology Data Exchange (ETDEWEB)
Brandenburg, G W; Dunwoodie, W M; Lasinski, T A; Leith, D W.G.S.; Williams, S H [Stanford Linear Accelerator Center, Calif. (USA); Carnegie, R K [Carleton Univ., Ottawa, Ontario (Canada). Dept. of Physics; Cashmore, R J [Oxford Univ. (UK). Dept. of Physics; Davier, M [Lab. de l' Accelerateur Lineaire, Orsay, France; Matthews, J A.J. [Michigan State Univ., East Lansing (USA). Dept. of Physics; Walden, P [British Columbia Univ., Vancouver (Canada). TRIUMF Facility
1975-11-24
The results of a wire chamber spectrometer experiment studying anti K*(890) production in the reaction K/sup -/p..-->..K/sup -/..pi../sup +/n at 13 GeV are presented. Strong forward structure is observed for mod(t)
Analytic matrix elements with shifted correlated Gaussians
DEFF Research Database (Denmark)
Fedorov, D. V.
2017-01-01
Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics.......Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics....
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.
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.
Hartree--Fock density matrix equation
International Nuclear Information System (INIS)
Cohen, L.; Frishberg, C.
1976-01-01
An equation for the Hartree--Fock density matrix is discussed and the possibility of solving this equation directly for the density matrix instead of solving the Hartree--Fock equation for orbitals is considered. Toward that end the density matrix is expanded in a finite basis to obtain the matrix representative equation. The closed shell case is considered. Two numerical schemes are developed and applied to a number of examples. One example is given where the standard orbital method does not converge while the method presented here does
Zhong, Zai-Zhe
2004-01-01
The partial separability of multipartite qubit density matrixes is strictly defined. We give a reduction way from N-partite qubit density matrixes to bipartite qubit density matrixes, and prove a necessary condition that a N-partite qubit density matrix to be partially separable is its reduced density matrix to satisfy PPT condition.
Gradient-based stochastic estimation of the density matrix
Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton
2018-03-01
Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.
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 ...
Finite size effects of a pion matrix element
International Nuclear Information System (INIS)
Guagnelli, M.; Jansen, K.; Palombi, F.; Petronzio, R.; Shindler, A.; Wetzorke, I.
2004-01-01
We investigate finite size effects of the pion matrix element of the non-singlet, twist-2 operator corresponding to the average momentum of non-singlet quark densities. Using the quenched approximation, they come out to be surprisingly large when compared to the finite size effects of the pion mass. As a consequence, simulations of corresponding nucleon matrix elements could be affected by finite size effects even stronger which could lead to serious systematic uncertainties in their evaluation
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.)
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
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.
The finite element response matrix method
International Nuclear Information System (INIS)
Nakata, H.; Martin, W.R.
1983-02-01
A new technique is developed with an alternative formulation of the response matrix method implemented with the finite element scheme. Two types of response matrices are generated from the Galerkin solution to the weak form of the diffusion equation subject to an arbitrary current and source. The piecewise polynomials are defined in two levels, the first for the local (assembly) calculations and the second for the global (core) response matrix calculations. This finite element response matrix technique was tested in two 2-dimensional test problems, 2D-IAEA benchmark problem and Biblis benchmark problem, with satisfatory results. The computational time, whereas the current code is not extensively optimized, is of the same order of the well estabilished coarse mesh codes. Furthermore, the application of the finite element technique in an alternative formulation of response matrix method permits the method to easily incorporate additional capabilities such as treatment of spatially dependent cross-sections, arbitrary geometrical configurations, and high heterogeneous assemblies. (Author) [pt
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
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
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.
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.
Transition matrices and orbitals from reduced density matrix theory
Energy Technology Data Exchange (ETDEWEB)
Etienne, Thibaud [Université de Lorraine – Nancy, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); CNRS, Théorie-Modélisation-Simulation, SRSMC, Boulevard des Aiguillettes 54506, Vandoeuvre-lès-Nancy (France); Unité de Chimie Physique Théorique et Structurale, Université de Namur, Rue de Bruxelles 61, 5000 Namur (Belgium)
2015-06-28
In this contribution, we report two different methodologies for characterizing the electronic structure reorganization occurring when a chromophore undergoes an electronic transition. For the first method, we start by setting the theoretical background necessary to the reinterpretation through simple tensor analysis of (i) the transition density matrix and (ii) the natural transition orbitals in the scope of reduced density matrix theory. This novel interpretation is made more clear thanks to a short compendium of the one-particle reduced density matrix theory in a Fock space. The formalism is further applied to two different classes of excited states calculation methods, both requiring a single-determinant reference, that express an excited state as a hole-particle mono-excited configurations expansion, to which particle-hole correlation is coupled (time-dependent Hartree-Fock/time-dependent density functional theory) or not (configuration interaction single/Tamm-Dancoff approximation). For the second methodology presented in this paper, we introduce a novel and complementary concept related to electronic transitions with the canonical transition density matrix and the canonical transition orbitals. Their expression actually reflects the electronic cloud polarisation in the orbital space with a decomposition based on the actual contribution of one-particle excitations from occupied canonical orbitals to virtual ones. This approach validates our novel interpretation of the transition density matrix elements in terms of the Euclidean norm of elementary transition vectors in a linear tensor space. A proper use of these new concepts leads to the conclusion that despite the different principles underlying their construction, they provide two equivalent excited states topological analyses. This connexion is evidenced through simple illustrations of (in)organic dyes electronic transitions analysis.
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
The finite temperature density matrix and two-point correlations in the antiferromagnetic XXZ chain
Göhmann, Frank; Hasenclever, Nils P.; Seel, Alexander
2005-10-01
We derive finite temperature versions of integral formulae for the two-point correlation functions in the antiferromagnetic XXZ chain. The derivation is based on the summation of density matrix elements characterizing a finite chain segment of length m. On this occasion we also supply a proof of the basic integral formula for the density matrix presented in an earlier publication.
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
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.
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)
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
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.
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
Hadronic matrix elements in lattice QCD
International Nuclear Information System (INIS)
Jaeger, Benjamin
2014-01-01
The lattice formulation of Quantum ChromoDynamics (QCD) has become a reliable tool providing an ab initio calculation of low-energy quantities. Despite numerous successes, systematic uncertainties, such as discretisation effects, finite-size effects, and contaminations from excited states, are inherent in any lattice calculation. Simulations with controlled systematic uncertainties and close to the physical pion mass have become state-of-the-art. We present such a calculation for various hadronic matrix elements using non-perturbatively O(a)-improved Wilson fermions with two dynamical light quark flavours. The main topics covered in this thesis are the axial charge of the nucleon, the electro-magnetic form factors of the nucleon, and the leading hadronic contributions to the anomalous magnetic moment of the muon. Lattice simulations typically tend to underestimate the axial charge of the nucleon by 5-10%. We show that including excited state contaminations using the summed operator insertion method leads to agreement with the experimentally determined value. Further studies of systematic uncertainties reveal only small discretisation effects. For the electro-magnetic form factors of the nucleon, we see a similar contamination from excited states as for the axial charge. The electro-magnetic radii, extracted from a dipole fit to the momentum dependence of the form factors, show no indication of finite-size or cutoff effects. If we include excited states using the summed operator insertion method, we achieve better agreement with the radii from phenomenology. The anomalous magnetic moment of the muon can be measured and predicted to very high precision. The theoretical prediction of the anomalous magnetic moment receives contribution from strong, weak, and electro-magnetic interactions, where the hadronic contributions dominate the uncertainties. A persistent 3σ tension between the experimental determination and the theoretical calculation is found, which is
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
Elements of matrix modeling and computing with Matlab
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
International Nuclear Information System (INIS)
Pavlov, R.L.; Pavlov, L.I.; Raychev, P.P.; Garistov, V.P.; Dimitrova-Ivanovich, M.
2002-01-01
The matrix elements and expectation values of the hyperfine interaction operators are presented in a form suitable for numerical implementation in density matrix methods. The electron-nuclear spin-spin (dipolar and contact) interactions are considered, as well as the interaction between nuclear spin and electron-orbital motions. These interactions from the effective Breit-Pauli Hamiltonian determine the hyperfine structure in ESR spectra and contribute to chemical shifts in NMR. Applying the Wigner-Eckart theorem in the irreducible tensor-operator technique and the spin-space separation scheme, the matrix elements and expectation values of these relativistic corrections are expressed in analytical form. The final results are presented as products, or sums of products, of factors determined by the spin and (or) angular momentum symmetry and a spatial part determined by the action of the symmetrized tensor-operators on the normalized matrix or function of the spin or charge distribution.
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.)
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.
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
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.)
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 .
Coulomb matrix elements in multi-orbital Hubbard models.
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.
The ab-initio density matrix renormalization group in practice.
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.
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.
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.
Reduced one-body density matrix of Tonks–Girardeau gas at finite temperature
International Nuclear Information System (INIS)
Fu Xiao-Chen; Hao Ya-Jiang
2015-01-01
With thermal Bose–Fermi mapping method, we investigate the Tonks–Girardeau gas at finite temperature. It is shown that at low temperature, the Tonks gas displays the Fermi-like density profiles, and with the increase in temperature, the Tonks gas distributes in wider region. The reduced one-body density matrix is diagonal dominant in the whole temperature region, and the off-diagonal elements shall vanish rapidly with the deviation from the diagonal part at high temperature. (paper)
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.
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.)
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.
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
The Matrix Element Method at Next-to-Leading Order
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...
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.
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.
Optimization of Coil Element Configurations for a Matrix Gradient Coil.
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.
Effects of quenching and partial quenching on penguin matrix elements
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
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
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 ...
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 ...
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 ...
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-.
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
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 time-dependent density matrix renormalisation group method
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.
The density-matrix renormalization group: a short introduction.
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.
A real-space stochastic density matrix approach for density functional electronic structure.
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.
Spectral function from Reduced Density Matrix Functional Theory
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.
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)
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.
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.)
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
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
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)
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.)
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
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.
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
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)
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
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.
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
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.)
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)
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.
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.
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.
Watching excitons move: the time-dependent transition density matrix
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.
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
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.
Development and application of a density dependent matrix ...
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
Global quantum discord and matrix product density operators
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.
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.
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
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.
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
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.
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...
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.
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.
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
Representation of the Coulomb Matrix Elements by Means of Appell Hypergeometric Function F 2
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.
Measurement of the CKM matrix element |V_ts|²
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...
The current matrix elements from HAL QCD method
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.
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).
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
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.
Matching Matrix Elements and Parton Showers with HERWIG and PYTHIA
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.
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 v_{18} 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.
Measurements of the CKM matrix element V(cb)
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
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
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.
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
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
Efficient perturbation theory to improve the density matrix renormalization group
Tirrito, Emanuele; Ran, Shi-Ju; Ferris, Andrew J.; McCulloch, Ian P.; Lewenstein, Maciej
2017-02-01
The density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. It has been applied to solve many physical problems, including the calculation of ground states and dynamical properties. In this work, we develop a perturbation theory of the DMRG (PT-DMRG) to greatly increase its accuracy in an extremely simple and efficient way. Using the canonical matrix product state (MPS) representation for the ground state of the considered system, a set of orthogonal basis functions {| ψi> } is introduced to describe the perturbations to the ground state obtained by the conventional DMRG. The Schmidt numbers of the MPS that are beyond the bond dimension cutoff are used to define these perturbation terms. The perturbed Hamiltonian is then defined as H˜i j= ; its ground state permits us to calculate physical observables with a considerably improved accuracy compared to the original DMRG results. We benchmark the second-order perturbation theory with the help of a one-dimensional Ising chain in a transverse field and the Heisenberg chain, where the precision of the DMRG is shown to be improved O (10 ) times. Furthermore, for moderate L the errors of the DMRG and PT-DMRG both scale linearly with L-1 (with L being the length of the chain). The linear relation between the dimension cutoff of the DMRG and that of the PT-DMRG at the same precision shows a considerable improvement in efficiency, especially for large dimension cutoffs. In the thermodynamic limit we show that the errors of the PT-DMRG scale with √{L-1}. Our work suggests an effective way to define the tangent space of the ground-state MPS, which may shed light on the properties beyond the ground state. This second-order PT-DMRG can be readily generalized to higher orders, as well as applied to models in higher dimensions.
Energy Technology Data Exchange (ETDEWEB)
Buecking, N
2007-11-05
In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the
Effect of truncated cone roughness element density on hydrodynamic drag
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.
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
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.
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
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
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
Reduced density-matrix functional theory: Correlation and spectroscopy.
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.
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.
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)
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
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
The temporal Fresnel number in terms of ray matrix elements
International Nuclear Information System (INIS)
Zhang Zhuhong; Fan Dianyuan
1993-01-01
By using the analogy between temporal ray matrix and the well known ray matrix, the temporal Fresnel number, which gives the qualitative and quasiquantitative characteristics (shape, width and chirp) of optical pulses, is derived. A concept of effective propagation time is introduced. Several typical examples are discussed. 6 refs
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
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.)
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
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.
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
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.
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 +/''.
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...
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
Radial Matrix Elements of Hydrogen Atom and the Correspondence ...
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
Hydrogen excited states—radial matrix element—corres- ... atoms, its availability, production, its spectras, and importance in astrophysics (Dupree ... far away revolving lazily around in a slow orbit like a distant planet in the solar system. As the electron orbit diameter grows rapidly, its energy also decreases rapidly. Currently ...
The Density Matrix for Single-mode Light after k-Photon Absorption
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).
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)
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.)
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
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.
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.
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
A pedagogical derivation of the matrix element method in particle physics data analysis
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.
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....
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
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)
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.
External field as the functional of inhomogeneous density and the density matrix functional approach
Bobrov, V.B.; Trigger, S.A.; Vlasov, Y.P.
2012-01-01
Based on the Hohenberg-Kohn lemma and the hypotheses of the density functional existence for the external-field potential, it is shown that the strict result of the density functional theory is the equation of the external-field potential as the density functional. This result leads to the
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.)
Nanofiber density determines endothelial cell behavior on hydrogel matrix
Energy Technology Data Exchange (ETDEWEB)
Berti, Fernanda V., E-mail: fernanda@intelab.ufsc.br [Department of Chemical and Food Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Rambo, Carlos R. [Department of Electrical Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Dias, Paulo F. [Department of Cell Biology, Embryology and Genetics, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Porto, Luismar M. [Department of Chemical and Food Engineering, Federal University of Santa Catarina, 88040-900 Florianópolis, SC (Brazil)
2013-12-01
When cultured under static conditions, bacterial cellulose pellicles, by the nature of the polymer synthesis that involves molecular oxygen, are characterized by two distinct surface sides. The upper surface is denser in fibers (entangled) than the lower surface that shows greater surface porosity. Human umbilical vein endothelial cells (HUVECs) were used to exploit how the microarchitecture (i.e., surface porosity, fiber network structure, surface topology, and fiber density) of bacterial cellulose pellicle surfaces influence cell–biomaterial interaction and therefore cell behavior. Adhesion, cell ingrowth, proliferation, viability and cell death mechanisms were evaluated on the two pellicle surface sides. Cell behavior, including secondary necrosis, is influenced only by the microarchitecture of the surface, since the biomaterial is extremely pure (constituted of cellulose and water only). Cell–cellulose fiber interaction is the determinant signal in the cell–biomaterial responses, isolated from other frequently present interferences such as protein and other chemical traces usually present in cell culture matrices. Our results suggest that microarchitecture of hydrogel materials might determine the performance of biomedical products, such as bacterial cellulose tissue engineering constructs (BCTECs). - Highlights: • Topography of BC pellicle is relevant to determine endothelial cells' fate. • Cell–biomaterial response is affected by the topography of BC-pellicle surface. • Endothelial cells exhibit different behavior depending on the BC topography. • Apoptosis and necrosis of endothelial cells were affected by the BC topography.
Nanofiber density determines endothelial cell behavior on hydrogel matrix
International Nuclear Information System (INIS)
Berti, Fernanda V.; Rambo, Carlos R.; Dias, Paulo F.; Porto, Luismar M.
2013-01-01
When cultured under static conditions, bacterial cellulose pellicles, by the nature of the polymer synthesis that involves molecular oxygen, are characterized by two distinct surface sides. The upper surface is denser in fibers (entangled) than the lower surface that shows greater surface porosity. Human umbilical vein endothelial cells (HUVECs) were used to exploit how the microarchitecture (i.e., surface porosity, fiber network structure, surface topology, and fiber density) of bacterial cellulose pellicle surfaces influence cell–biomaterial interaction and therefore cell behavior. Adhesion, cell ingrowth, proliferation, viability and cell death mechanisms were evaluated on the two pellicle surface sides. Cell behavior, including secondary necrosis, is influenced only by the microarchitecture of the surface, since the biomaterial is extremely pure (constituted of cellulose and water only). Cell–cellulose fiber interaction is the determinant signal in the cell–biomaterial responses, isolated from other frequently present interferences such as protein and other chemical traces usually present in cell culture matrices. Our results suggest that microarchitecture of hydrogel materials might determine the performance of biomedical products, such as bacterial cellulose tissue engineering constructs (BCTECs). - Highlights: • Topography of BC pellicle is relevant to determine endothelial cells' fate. • Cell–biomaterial response is affected by the topography of BC-pellicle surface. • Endothelial cells exhibit different behavior depending on the BC topography. • Apoptosis and necrosis of endothelial cells were affected by the BC topography
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
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.)
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)
Liu, C; Liu, J; Yao, Y X; Wu, P; Wang, C Z; Ho, K M
2016-10-11
We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.
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
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
Matrix elements of Δ B =0 operators in heavy hadron chiral perturbation theory
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.
Correlation between eigenvalues and sorted diagonal matrix elements of a large dimensional matrix
International Nuclear Information System (INIS)
Arima, A.
2008-01-01
Functional dependences of eigenvalues as functions of sorted diagonal elements are given for realistic nuclear shell model (NSM) hamiltonian, the uniform distribution hamiltonian and the GOE hamiltonian. In the NSM case, the dependence is found to be linear. We discuss extrapolation methods for more accurate predictions for low-lying states. (author)
Effects of matrix elasticity and cell density on human mesenchymal stem cells differentiation.
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.
Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.
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.
Quasi-exact evaluation of time domain MFIE MOT matrix elements
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.
Quasi-exact evaluation of time domain MFIE MOT matrix elements
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.
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
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)
Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods
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.
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.
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.
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.
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
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.
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.)
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)
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.
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 ...
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
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
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
Spin observables in antiproton-proton to AntiLambda-Lambda and density-matrix constraints
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.
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
TREATMENT OF NONADIABATIC TRANSITIONS BY DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS
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
The problem of the universal density functional and the density matrix functional theory
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
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).
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
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
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
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
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.
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
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.)
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)
Nuclear Matrix Elements for the $\\beta\\beta$ Decay of the $^{76}$Ge
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...
Effects of quenching and partial quenching on QCD penguin matrix elements
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
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.
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.
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
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.
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
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.
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...
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
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)
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.
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)
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.
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
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
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.
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.
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+).
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...
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
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.
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
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
Reduced density matrix embedding. General formalism and inter-domain correlation functional.
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.
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
The variation of interstellar element abundances with hydrogen density
International Nuclear Information System (INIS)
Keenan, F.P.; Hibbert, A.; Dufton, P.L.; Murray, M.J.
1986-01-01
The variation of the interstellar nitrogen, oxygen and magnesium abundances with mean line-of-sight hydrogen density is analysed in terms of a two-component model, which consists of warm, low-density neutral gas and cold clouds. In all cases the gas-phase abundances have been deduced using reliable oscillator strengths specifically calculated for this purpose. Depletions in the warm and cold gas, are derived from non-linear least-squares fits to the data. (author)
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)
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.
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.
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....
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.)
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 a^{2} tadpole-improved staggered sea quarks and tadpole-improved Lüscher-Weisz gluons. We use the a^{2} 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.
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.
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
Current matrix element in HAL QCD's wavefunction-equivalent potential method
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.
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
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
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.)
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.
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.
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
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)
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
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.)
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.
Separation of soft and collinear infrared limits of QCD squared matrix elements
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.
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
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
Matching NLO parton shower matrix element with exact phase space case of $W\\to l\
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...
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.)
Extending the range of real time density matrix renormalization group simulations
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.
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.
Comment on "Nonuniqueness of algebraic first-order density-matrix functionals"
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.
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)
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.
A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis
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.
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)
A parton shower based on factorization of the quantum density matrix
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...
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....
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.
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.
X-ray microanalysis of elements present in the matrix of cnidarian nematocysts.
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.
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).
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.
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
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.
Light element nucleosynthesis and estimates of the universal baryon density
International Nuclear Information System (INIS)
Mathews, G.J.; Viola, V.E.
1978-01-01
The present mean universal baryon density rho/sub b/, is of interest because it and the Hubble constant determine the curvature of the Universe. The available indicators of rho/sub b/ come from the present deuterium abundance, if it is assumed that ''big-bang'' nucleosynthesis must produce enough D to at least match the abundance of this nuclide in the interstellar medium. An alternative method utilizing the 7 Li/D ratio is used to evaluate rho/sub b/. With this method the difficulty associated with the astration process can be essentially canceled from the problem. The results obtained indicate an open Universe with a best guess for rho/sub b/ of 7.1 x 10 -31 g/cm 3 . 1 figure, 1 table
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.
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.
Perturbation theory corrections to the two-particle reduced density matrix variational method.
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.
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.
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 .
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
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.
Structure of the two-neutrino double-β decay matrix elements within perturbation theory
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.
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
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
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.
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
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
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.)
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
International Nuclear Information System (INIS)
Yoriyaz, H.
1986-01-01
In this work a spatial burnup scheme and feedback effects has been implemented into the FERM ( 'Finite Element Response Matrix' )program. The spatially dependent neutronic parameters have been considered in three levels: zonewise calculation, assembly wise calculation and pointwise calculation. Flux and power distributions and the multiplication factor were calculated and compared with the results obtained by CITATIOn program. These comparisons showed that processing time in the Ferm code has been hundred of times shorter and no significant difference has been observed in the assembly average power distribution. (Author) [pt
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.
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
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
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.
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}.
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
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.
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
Measurement of the matrix elements for the decays η'→η π+π- and η'→η π0π0
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.
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
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
Reorientation-effect measurement of the matrix element in 10Be
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.
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.)
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.
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.
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
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.
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.
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
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.
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
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)
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
Ground states of linear rotor chains via the density matrix renormalization group
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.
Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope.
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.
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.)
International Nuclear Information System (INIS)
Luo, Da-Wei; Xu, Jing-Bo
2015-01-01
We use an alternative method to investigate the quantum criticality at zero and finite temperature using trace distance along with the density matrix renormalization group. It is shown that the average correlation measured by the trace distance between the system block and environment block in a DMRG sweep is able to detect the critical points of quantum phase transitions at finite temperature. As illustrative examples, we study spin-1 XXZ chains with uniaxial single-ion-type anisotropy and the Heisenberg spin chain with staggered coupling and external magnetic field. It is found that the trace distance shows discontinuity at the critical points of quantum phase transition and can be used as an indicator of QPTs
Quasi-particle energy spectra in local reduced density matrix functional theory.
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.
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
Investigation of the alpha cluster model and the density matrix expansion in ion-ion collision
International Nuclear Information System (INIS)
Rashdan, M.B.M.
1986-01-01
This thesis deals with the investigation of the alpha cluster model (ACM) of brink and studies of the accuracy of the density matrix expansion (DME) approximation in deriving the real part of the ion-ion optical potential. the ACM is applied to calculate the inelastic 0 1 + →2 1 + charge form factor for electron scattering by 12 C to investigate the validity of this model for 12 C nucleus. it is found that the experimental curve can be fitted over the entire range of the momentum transfer by a generator - coordinate state for the 2 1 + state that consist of a superposition of two triangular ACM states with two different cluster separations and the same oscillator parameter
Lectures on light nonlinear and quantum optics using the density matrix
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...
Low-density, high-strength intermetallic matrix composites by XD (trademark) synthesis
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.
Heisenberg spin-one chain in staggered magnetic field: A density matrix renormalization group study
International Nuclear Information System (INIS)
Jizhong Lou; Xi Dai; Shaojin Qin; Zhaobin Su; Lu Yu
1999-04-01
Using the density matrix renormalization group technique, we calculate numerically the low energy excitation spectrum and magnetization curve of the spin-1 antiferromagnetic chain in a staggered magnetic field, which is expected to describe the physics of R 2 BaNiO 5 (R ≠ Y) family below the Neel temperature of the magnetic rare-earth (R) sublattice. These results are valid in the entire range of the staggered field, and agree with those given by the non-linear σ model study for small fields, but differ from the latter for large fields. They are consistent with the available experimental data. The correlation functions for this model are also calculated. The transverse correlations display the anticipated exponential decay with shorter correlation length, while the longitudinal correlations show explicitly the induced staggered magnetization. (author)
Evaluation of the thermodynamics of a four level system using canonical density matrix method
Directory of Open Access Journals (Sweden)
Awoga Oladunjoye A.
2013-02-01
Full Text Available We consider a four-level system with two subsystems coupled by weak interaction. The system is in thermal equilibrium. The thermodynamics of the system, namely internal energy, free energy, entropy and heat capacity, are evaluated using the canonical density matrix by two methods. First by Kronecker product method and later by treating the subsystems separately and then adding the evaluated thermodynamic properties of each subsystem. It is discovered that both methods yield the same result, the results obey the laws of thermodynamics and are the same as earlier obtained results. The results also show that each level of the subsystems introduces a new degree of freedom and increases the entropy of the entire system. We also found that the four-level system predicts a linear relationship between heat capacity and temperature at very low temperatures just as in metals. Our numerical results show the same trend.
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
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…
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)
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
International Nuclear Information System (INIS)
Ablinger, Jakob; Schneider, Carsten; Bluemlein, Johannes; Raab, Clemens; Wissbrock, Fabian
2014-02-01
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a N , a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC)
2014-02-15
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a{sup N}, a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
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 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
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...
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.
Measurement of the Top Quark Mass Using the Matrix Element Technique in Dilepton Final States
Abazov, Victor Mukhamedovich
2016-08-18
We present a measurement of the top quark mass in ppbar collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider. The data were collected by the D0 experiment corresponding to an integrated luminosity of 9.7 fb-1. The matrix element technique is applied to ttbar events in the final state containing leptons (electrons or muons) with high transverse momenta and at least two jets. The calibration of the jet energy scale determined in the lepton + jets final state of ttbar decays is applied to jet energies. This correction provides a substantial reduction in systematic uncertainties. We obtain a top quark mass of mt = 173.93 +- 1.84 GeV.
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.)
International Nuclear Information System (INIS)
Faifman, M.P.; Strizh, T.A.; Armour, E.A.G.; Harston, M.R.
1996-01-01
The calculated resonant formation rates of the muonic molecules DDμ and DTμ are presented. The approach developed earlier for calculating the transition matrix elements in the dipole approximation has been extended to include the quadrupole terms in the multipole expansion of the interaction operator. The calculated dependence of the DTμ formation rates on the energies of the incident Tμ muonic atoms shows that the effect of including the quadrupole correction is to reduce the magnitude of the peak rates by about 20-30% at the different temperatures, compared to those calculated in the dipole approximation. The dependence on temperature for the DDμ formation rates is obtained with the differences between the presented and previous calculations being less than 5%. (orig.)
Two-loop massive operator matrix elements for unpolarized heavy flavor production to O({epsilon})
Energy Technology Data Exchange (ETDEWEB)
Bierenbaum, I.; Bluemlein, J.; Klein, S. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Schneider, C. [Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation
2008-02-15
We calculate the O({alpha}{sup 2}{sub s}) massive operator matrix elements for the twist-2 operators, which contribute to the heavy flavor Wilson coefficients in unpolarized deeply inelastic scattering in the region Q{sup 2}>>m{sup 2}, up to the O({epsilon}) contributions. These terms contribute through the renormalization of the O({alpha}{sup 3}{sub s}) heavy flavor Wilson coefficients of the structure function F{sub 2}(x,Q{sup 2}). The calculation has been performed using light-cone expansion techniques without using the integration-by-parts method. We represent the individual Feynman diagrams by generalized hypergeometric structures, the {epsilon}-expansion of which leads to infinite sums depending on the Mellin variable N. These sums are finally expressed in terms of nested harmonic sums using the general summation techniques implemented in the Sigma package. (orig.)
Improved method for eliminating center-of-mass coordinates from matrix elements in oscillator basis
International Nuclear Information System (INIS)
Richardson, R.H.; Shapiro, J.Y.
1986-01-01
This paper presents a concise, efficient method of reducing potential energy matrix elements to relative coordinates, when one is using an oscillator basis. It is especially suited to computer calculations. One nice feature of the method is its modular form, which allows a wide range of calculations. Separate FORTRAN subroutines have been written which calculate and store tables of the one-dimensional brackets of an equation that is presented and the single particle brackets from the isotropic to the axially symmetric oscillator equations. The tables are used by other subroutines which calculate the modified brackets and the brackets with spin. The methods developed here are a substantial improvement over what has been done heretofore, and open up new possibilities for performing nuclear structure calculations
HELAC-Onia: an automatic matrix element generator for heavy quarkonium physics
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.
Grassmann integral and Balian–Brézin decomposition in Hartree–Fock–Bogoliubov matrix elements
Energy Technology Data Exchange (ETDEWEB)
Mizusaki, Takahiro, E-mail: mizusaki@isc.senshu-u.ac.jp [Institute of Natural Sciences, Senshu University, 3-8-1 Kanda-Jinbocho, Chiyoda-ku, Tokyo 101-8425 (Japan); Oi, Makito [Institute of Natural Sciences, Senshu University, 3-8-1 Kanda-Jinbocho, Chiyoda-ku, Tokyo 101-8425 (Japan); Chen, Fang-Qi [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Sun, Yang [Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240 (China); Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)
2013-08-09
We present a new formula to calculate matrix elements of a general unitary operator with respect to Hartree–Fock–Bogoliubov states allowing multiple quasi-particle excitations. The Balian–Brézin decomposition of the unitary operator [R. Balian, E. Brézin, Il Nuovo Cimento B 64 (1969) 37] is employed in the derivation. We found that this decomposition is extremely suitable for an application of Fermion coherent state and Grassmann integrals in the quasi-particle basis. The resultant formula is compactly expressed in terms of the Pfaffian, and shows the similar bipartite structure to the formula that we have previously derived in the bare-particles basis [T. Mizusaki, M. Oi, Phys. Lett. B 715 (2012) 219].
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.)
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 .
Minimizing matrix effect by femtosecond laser ablation and ionization in elemental determination.
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.
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
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
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)
Changes in subchondral bone mineral density and collagen matrix organization in growing horses.
Holopainen, Jaakko T; Brama, Pieter A J; Halmesmäki, Esa; Harjula, Terhi; Tuukkanen, Juha; van Weeren, P René; Helminen, Heikki J; Hyttinen, Mika M
2008-12-01
The effects of growth and maturation on the mineral deposition and the collagen framework of equine subchondral bone (SCB) were studied. Osteochondral specimens (diameter 6 mm) from the left metacarpophalangeal joint of 5-(n=8), 11-(n=8) and 18-month-old (n=6) horses were investigated at two differently loaded sites (Site 1 (S1): intermittent peak loading; Site 2 (S2): habitual loading). The SCB mineral density (BMD) was measured with peripheral quantitative computer tomography (pQCT), and the data were adjusted against the volume fraction (Vv) of the bone extracellular matrix (ECM). Polarised light microscopy (PLM) was used to analyze the Vv, the collagen fibril parallelism index and the orientation angle distribution in two fractions (1 mm/fraction) beneath the osteochondral junction of the SCB. PLM analysis was made along two randomly selected perpendicularly oriented vertical sections to measure the tissue anisotropy in the x-, y-, and z-directions. The BMD of SCB at S1 and S2 increased significantly during maturation. At the same time, the Vv of the ECM increased even more. This meant that the Vv-adjusted BMD decreased. There were no significant differences between sites. The basic collagen fibril framework of SCB seems to be established already at the age of 5 months. During maturation, the extracellular matrix underwent a decrease in collagen fibril parallelism but no changes in collagen orientation. The variation was negligible in the collagen network estimates in the two section planes. Growth and maturation induce significant changes in the equine SCB. The BMD increase in SCB is primarily due to the growth of bone volume and not to any increase in mineral deposition. An increase in weight-bearing appears to greatly affect the BMD and the volume of the extracellular matrix. Growth and maturation induce a striking change in collagen fibril parallelism but not in fibril orientation. The structural anisotropy of the subchondral bone is significant along the
Directory of Open Access Journals (Sweden)
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.
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.
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.
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.
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
Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver
2017-08-01
Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.
Degree of conversion and cross-link density within a resin-matrix composite.
Al-Zain, Afnan O; Eckert, George J; Lukic, Henry; Megremis, Spiro J; Platt, Jeffrey A
2018-05-01
The aims of this study were to profile light radiated from two light-curing units (LCUs) and evaluate profile relationship to polymerization patterns within a resin-matrix composite (RMC). Beam profiles of one multiple emission peak light-emitting-diode and one quartz-tungsten-halogen curing-unit were measured using a beam profiler/spectrometer system. A camera-based profiler and an integrating sphere/spectrometer assembly were used to evaluate each LCU beam. Polymerization patterns within a nano-hybrid RMC were investigated using a mapping approach by assessing the degree of conversion utilizing micro-Raman spectroscopy and indirectly estimating cross-link-density by repeated microhardness testing before and after exposure to ethanol (%KH reduction, n = 3). The irradiance received on the top and bottom specimen surfaces from both LCUs was measured using a MARC-RC system. The investigated beam profile area from both LCUs was non-uniform and yielded localized discrepancies in DC (55.7-74.9%) and %KH reduction (26.7-54.1%). The LCU irradiance received at the bottom of the specimens was ∼10% of the top value. This study demonstrated that LCU beam profiles were non-uniform in the area explored. Localized differences in DC and %KH reduction existed throughout the RMC specimens but did not follow a specific pattern. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1496-1504, 2018. © 2017 Wiley Periodicals, Inc.
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)
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).
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.
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
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
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.
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.
Dynamic-stiffness matrix of embedded and pile foundations by indirect boundary-element method
International Nuclear Information System (INIS)
Wolf, J.P.; Darbre, G.R.
1984-01-01
The boundary-integral equation method is well suited for the calculation of the dynamic-stiffness matrix of foundations embedded in a layered visco-elastic halfspace (or a transmitting boundary of arbitrary shape), which represents an unbounded domain. It also allows pile groups to be analyzed, taking pile-soil-pile interaction into account. The discretization of this boundary-element method is restricted to the structure-soil interface. All trial functions satisfy exactly the field equations and the radiation condition at infinity. In the indirect boundary-element method distributed source loads of initially unknown intensities act on a source line located in the excavated part of the soil and are determined such that the prescribed boundary conditions on the structure-soil interface are satisfied in an average sense. In the two-dimensional case the variables are expanded in a Fourier integral in the wave number domain, while in three dimensions, Fourier series in the circumferential direction and bessel functions of the wave number domain, while in three dimensions, Fourier series in the circumferential direction and Bessel functions of the wave number in the radial direction are selected. Accurate results arise with a small number of parameters of the loads acting on a source line which should coincide with the structure-soil interface. In a parametric study the dynamic-stiffness matrices of rectangular foundations of various aspect ratios embedded in a halfplane and in a layer built-in at its base are calculated. For the halfplane, the spring coefficients for the translational directions hardly depend on the embedment, while the corresponding damping coefficients increase for larger embedments, this tendency being more pronounced in the horizontal direction. (orig.)
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
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.
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.
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.
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.
K →π matrix elements of the chromomagnetic operator on the lattice
Constantinou, M.; Costa, M.; Frezzotti, R.; Lubicz, V.; Martinelli, G.; Meloni, D.; Panagopoulos, H.; Simula, S.; ETM Collaboration
2018-04-01
We present the results of the first lattice QCD calculation of the K →π matrix elements of the chromomagnetic operator OCM=g s ¯ σμ νGμ νd , which appears in the effective Hamiltonian describing Δ S =1 transitions in and beyond the standard model. Having dimension five, the chromomagnetic operator is characterized by a rich pattern of mixing with operators of equal and lower dimensionality. The multiplicative renormalization factor as well as the mixing coefficients with the operators of equal dimension have been computed at one loop in perturbation theory. The power divergent coefficients controlling the mixing with operators of lower dimension have been determined nonperturbatively, by imposing suitable subtraction conditions. The numerical simulations have been carried out using the gauge field configurations produced by the European Twisted Mass Collaboration with Nf=2 +1 +1 dynamical quarks at three values of the lattice spacing. Our result for the B parameter of the chromomagnetic operator at the physical pion and kaon point is BCMOK π=0.273 (69 ) , while in the SU(3) chiral limit we obtain BCMO=0.076 (23 ) . Our findings are significantly smaller than the model-dependent estimate BCMO˜1 - 4 , currently used in phenomenological analyses, and improve the uncertainty on this important phenomenological quantity.
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.
International Nuclear Information System (INIS)
Fatchurrohman, N; Marini, C D; Suraya, S; Iqbal, AKM Asif
2016-01-01
The increasing demand of fuel efficiency and light weight components in automobile sectors have led to the development of advanced material parts with improved performance. A specific class of MMCs which has gained a lot of attention due to its potential is aluminium metal matrix composites (Al-MMCs). Product performance investigation of Al- MMCs is presented in this article, where an Al-MMCs brake disc is analyzed using finite element analysis. The objective is to identify the potentiality of replacing the conventional iron brake disc with Al-MMCs brake disc. The simulation results suggested that the MMCs brake disc provided better thermal and mechanical performance as compared to the conventional cast iron brake disc. Although, the Al-MMCs brake disc dissipated higher maximum temperature compared to cast iron brake disc's maximum temperature. The Al-MMCs brake disc showed a well distributed temperature than the cast iron brake disc. The high temperature developed at the ring of the disc and heat was dissipated in circumferential direction. Moreover, better thermal dissipation and conduction at brake disc rotor surface played a major influence on the stress. As a comparison, the maximum stress and strain of Al-MMCs brake disc was lower than that induced on the cast iron brake disc. (paper)
Quarkonium polarization and the long distance matrix elements hierarchies using jet substructure
Dai, Lin; Shrivastava, Prashant
2017-08-01
We investigate the quarkonium production mechanisms in jets at the LHC, using the fragmenting jet functions (FJF) approach. Specifically, we discuss the jet energy dependence of the J /ψ production cross section at the LHC. By comparing the cross sections for the different NRQCD production channels (1S0[8], 3S1[8], 3PJ[8], and 3cripts>S1[1]), we find that at fixed values of energy fraction z carried by the J /ψ , if the normalized cross section is a decreasing function of the jet energy, in particular for z >0.5 , then the depolarizing 1S0[8] must be the dominant channel. This makes the prediction made in [Baumgart et al., J. High Energy Phys. 11 (2014) 003, 10.1007/JHEP11(2014)003] for the FJF's also true for the cross section. We also make comparisons between the long distance matrix elements extracted by various groups. This analysis could potentially shed light on the polarization properties of the J /ψ production in high pT region.
International Nuclear Information System (INIS)
Ablinger, J.; Schneider, C.; Manteuffel, A. von
2015-09-01
Three loop ladder and V-topology diagrams contributing to the massive operator matrix element A Qg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.
A measurement of the top quark mass with a matrix element method
Energy Technology Data Exchange (ETDEWEB)
Gibson, Adam Paul [Univ. of California, Berkeley, CA (United States)
2006-01-01
The authors present a measurement of the mass of the top quark. The event sample is selected from proton-antiproton collisions, at 1.96 TeV center-of-mass energy, observed with the CDF detector at Fermilab's Tevatron. They consider a 318 pb^{-1} dataset collected between March 2002 and August 2004. They select events that contain one energetic lepton, large missing transverse energy, exactly four energetic jets, and at least one displaced vertex b tag. The analysis uses leading-order t$\\bar{t}$ and background matrix elements along with parameterized parton showering to construct event-by-event likelihoods as a function of top quark mass. From the 63 events observed with the 318 pb^{-1} dataset they extract a top quark mass of 172.0 ± 2.6(stat) ± 3.3(syst) GeV/c^{2} from the joint likelihood. The mean expected statistical uncertainty is 3.2 GeV/c^{2} for m $\\bar{t}$ = 178 GTeV/c^{2} and 3.1 GeV/c^{2} for m $\\bar{t}$ = 172.5 GeV/c^{2}. The systematic error is dominated by the uncertainty of the jet energy scale.
Ablinger, J.; Behring, A.; Blümlein, J.; De Freitas, A.; von Manteuffel, A.; Schneider, C.
2016-05-01
Three loop ladder and V-topology diagrams contributing to the massive operator matrix element AQg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Energy Technology Data Exchange (ETDEWEB)
Ablinger, Jakob [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Blümlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Wißbrock, Fabian [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany)
2014-08-15
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a{sup N},a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
International Nuclear Information System (INIS)
Ablinger, Jakob; Blümlein, Johannes; Raab, Clemens; Schneider, Carsten; Wißbrock, Fabian
2014-01-01
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a N ,a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions
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.)
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.)
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
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Kretchmer, Joshua S.; Chan, Garnet Kin-Lic
2018-02-01
We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.
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.
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.
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
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.
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
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
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.
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.
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
The NUMEN project: NUclear Matrix Elements for Neutrinoless double beta decay
Cappuzzello, F.; Agodi, C.; Cavallaro, M.; Carbone, D.; Tudisco, S.; Lo Presti, D.; Oliveira, J. R. B.; Finocchiaro, P.; Colonna, M.; Rifuggiato, D.; Calabretta, L.; Calvo, D.; Pandola, L.; Acosta, L.; Auerbach, N.; Bellone, J.; Bijker, R.; Bonanno, D.; Bongiovanni, D.; Borello-Lewin, T.; Boztosun, I.; Brunasso, O.; Burrello, S.; Calabrese, S.; Calanna, A.; Chávez Lomelí, E. R.; D'Agostino, G.; De Faria, P. N.; De Geronimo, G.; Delaunay, F.; Deshmukh, N.; Ferreira, J. L.; Fisichella, M.; Foti, A.; Gallo, G.; Garcia-Tecocoatzi, H.; Greco, V.; Hacisalihoglu, A.; Iazzi, F.; Introzzi, R.; Lanzalone, G.; Lay, J. A.; La Via, F.; Lenske, H.; Linares, R.; Litrico, G.; Longhitano, F.; Lubian, J.; Medina, N. H.; Mendes, D. R.; Moralles, M.; Muoio, A.; Pakou, A.; Petrascu, H.; Pinna, F.; Reito, S.; Russo, A. D.; Russo, G.; Santagati, G.; Santopinto, E.; Santos, R. B. B.; Sgouros, O.; da Silveira, M. A. G.; Solakci, S. O.; Souliotis, G.; Soukeras, V.; Spatafora, A.; Torresi, D.; Magana Vsevolodovna, R.; Yildirim, A.; Zagatto, V. A. B.
2018-05-01
The article describes the main achievements of the NUMEN project together with an updated and detailed overview of the related R&D activities and theoretical developments. NUMEN proposes an innovative technique to access the nuclear matrix elements entering the expression of the lifetime of the double beta decay by cross section measurements of heavy-ion induced Double Charge Exchange (DCE) reactions. Despite the fact that the two processes, namely neutrinoless double beta decay and DCE reactions, are triggered by the weak and strong interaction respectively, important analogies are suggested. The basic point is the coincidence of the initial and final state many-body wave functions in the two types of processes and the formal similarity of the transition operators. First experimental results obtained at the INFN-LNS laboratory for the 40Ca(18O,18Ne)40Ar reaction at 270MeV give an encouraging indication on the capability of the proposed technique to access relevant quantitative information. The main experimental tools for this project are the K800 Superconducting Cyclotron and MAGNEX spectrometer. The former is used for the acceleration of the required high resolution and low emittance heavy-ion beams and the latter is the large acceptance magnetic spectrometer for the detection of the ejectiles. The use of the high-order trajectory reconstruction technique, implemented in MAGNEX, allows to reach the experimental resolution and sensitivity required for the accurate measurement of the DCE cross sections at forward angles. However, the tiny values of such cross sections and the resolution requirements demand beam intensities much larger than those manageable with the present facility. The on-going upgrade of the INFN-LNS facilities in this perspective is part of the NUMEN project and will be discussed in the article.
Diarra, Harona; Mazel, Vincent; Busignies, Virginie; Tchoreloff, Pierre
2015-09-30
Finite elements method was used to study the influence of tablet thickness and punch curvature on the density distribution inside convex faced (CF) tablets. The modeling of the process was conducted on 2 pharmaceutical excipients (anhydrous calcium phosphate and microcrystalline cellulose) by using Drucker-Prager Cap model in Abaqus(®) software. The parameters of the model were obtained from experimental tests. Several punch shapes based on industrial standards were used. A flat-faced (FF) punch and 3 convex faced (CF) punches (8R11, 8R8 and 8R6) with a diameter of 8mm were chosen. Different tablet thicknesses were studied at a constant compression force. The simulation of the compaction of CF tablets with increasing thicknesses showed an important change on the density distribution inside the tablet. For smaller thicknesses, low density zones are located toward the center. The density is not uniform inside CF tablets and the center of the 2 faces appears with low density whereas the distribution inside FF tablets is almost independent of the tablet thickness. These results showed that FF and CF tablets, even obtained at the same compression force, do not have the same density at the center of the compact. As a consequence differences in tensile strength, as measured by diametral compression, are expected. This was confirmed by experimental tests. Copyright © 2015 Elsevier B.V. All rights reserved.
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).
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.
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.)
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
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.
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)
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.
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....
On the evaluation of the U(3) content of the matrix elements of one-and two-body operators
International Nuclear Information System (INIS)
Vanagas, V.; Alcaras, J.A.C.
1991-09-01
An expression for the U(3) content of the matrix elements of one- and two-body operators in Elliott's basis is obtained. Three alternative ways of evaluating this content with increasing performance in computing time are presented. All of them allow an exact representation of that content in terms of integers, avoiding rounding errors in the computer codes. The role of dual bases in dealing with non-orthogonal bases is also clarified. (author)
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).
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
SU(2) X SU(2) X U(1) basis for symmetric SO(6) representations: matrix elements of the generators
International Nuclear Information System (INIS)
Piepenbring, R.; Silvestre-Brac, B.; Szymanski, Z.
1987-01-01
Matrix elements of the group generators for the symmetric irreducible representations of SO(6) are explicitly calculated in a closed form employing thedecomposition chain SO(6) is contained in SU(2) X SU(2) X U(1) (which is different from the well known Wigner supermultiplet scheme). The relation to the Gel'fand Tsetlin method using SO(6) contained in SO(5) up to ... SO(2) is indicated. An example of a physical application is given
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)
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.
International Nuclear Information System (INIS)
Aras, N.K.; Korkusuz, F.; Akkas, N.; Laleli, Y.; Kuscu, L.; Gunel, U.
1996-01-01
Osteoporosis is defined as an absolute decrease in the amount of bone to a level below required for mechanical support. It is an important bone disease in elderly people in many countries. Unfortunately, there is no reliable statistical data in Turkey for the incidence of osteoporosis. A decrease in bone mass is the important cause in fractures in osteoporosis. Therefore, we intend to study both bone density and other variables such as trace elements, biomechanical properties and other immunocytochemicals in bone, all combined might give an information about the cause and prevention of osteoporosis. (author)
Structural elements of collapses in shallow water flows with horizontally nonuniform density
Energy Technology Data Exchange (ETDEWEB)
Goncharov, V. P., E-mail: v.goncharov@rambler.ru [Russian Academy of Sciences, Obukhov Institute of Atmospheric Physics (Russian Federation); Pavlov, V. I., E-mail: Vadim.Pavlov@univ-lille1.fr [Universite de Lille 1, UFR de Mathematiques Pures et Appliquees-LML UMR 8107 (France)
2013-10-15
The mechanisms and structural elements of instability whose evolution results in the occurrence of the collapse are studied in the scope of the rotating shallow water model with a horizontally nonuniform density. The diagram stability based on the integral collapse criterion is suggested to explain system behavior in the space of constants of motion. Analysis of the instability shows that two collapse scenarios are possible. One scenario implies anisotropic collapse during which the contact area of a collapsing drop-like fragment with the bottom contracts into a rotating segment. The other implies isotropic contraction of the area into a point.
Energy Technology Data Exchange (ETDEWEB)
Aoki, Sinya [Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); Hanada, Masanori [Stanford Institute for Theoretical Physics, Stanford University,Stanford, CA 94305 (United States); Yukawa Institute for Theoretical Physics, Kyoto University,Kitashirakawa Oiwakecho, Sakyo-ku, Kyoto 606-8502 (Japan); The Hakubi Center for Advanced Research, Kyoto University,Yoshida Ushinomiyacho, Sakyo-ku, Kyoto 606-8501 (Japan); Nakamura, Atsushi [Research Institute for Information Science and Education, Hiroshima University,Higashi-Hiroshima 739-8527 (Japan)
2015-05-14
In the Monte Carlo study of QCD at finite baryon density based upon the phase reweighting method, the pion condensation in the phase-quenched theory and associated zero-mode prevent us from going to the low-temperature high-density region. We propose a method to circumvent them by a simple modification of the density of state method. We first argue that the standard version of the density of state method, which is invented to solve the overlapping problem, is effective only for a certain ‘good’ class of observables. We then modify it so as to solve the overlap problem for ‘bad’ observables as well. While, in the standard version of the density of state method, we usually constrain an observable we are interested in, we fix a different observable in our new method which has a sharp peak at some particular value characterizing the correct vacuum of the target theory. In the finite-density QCD, such an observable is the pion condensate. The average phase becomes vanishingly small as the value of the pion condensate becomes large, hence it is enough to consider configurations with π{sup +}≃0, where the zero mode does not appear. We demonstrate an effectiveness of our method by using a toy model (the chiral random matrix theory) which captures the properties of finite-density QCD qualitatively. We also argue how to apply our method to other theories including finite-density QCD. Although the example we study numerically is based on the phase reweighting method, the same idea can be applied to more general reweighting methods and we show how this idea can be applied to find a possible QCD critical point.
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.
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.
International Nuclear Information System (INIS)
Kandavel, T.K.; Chandramouli, R.; Karthikeyan, P.
2012-01-01
Highlights: ► Corrosion of low alloy P/M steels under HCl acid pickling environment has been studied. ► Influence of density, strain and alloying elements on the rate of corrosion of the steels has been investigated. ► Residual porosity has significant effect on acid corrosion. ► Addition of the alloying elements Cu, Mo and Ti reduces the corrosion rate significantly. ► Carbide forming elements Mo and Ti improve further the resistance of the steels to aqueous corrosion. -- Abstract: Low alloy steels produced through powder metallurgy route of sintering followed by forging are promising candidate materials for high strength small components. Porosity in such steels poses a real challenge during acid pickling treatment, which is one of the processing steps during manufacturing. The present research work attempts to investigate the mechanism underlying the acid corrosion behaviour of some sintered low alloy steels under induced acid pickling conditions. Sintered-forged low alloy steel samples containing molybdenum (Mo), copper (Cu) and titanium (Ti) were subjected to aqueous corrosion attack by immersing the samples in 18% HCl (Hydrochloric acid) solution for 25 h. Sample weight loss and Fe (Iron) loss were estimated for the corroded samples. The morphology of the corroded surfaces was studied through metallography and scanning electron microscopy. Higher porosity alloys underwent enhanced corrosion rates. Both corrosion rate and iron loss are found to decrease linearly with reduction in porosity in all cases of the alloys. The alloying elements Mo, Ti and Cu, when added in combination, have played a complementary role in the reduction of corrosion rate by almost one order of magnitude compared to unalloyed steel. Presence of carbides of the carbide forming elements Mo and Ti played a positive role on the corrosion behaviour of the low alloy steels.
International Nuclear Information System (INIS)
Dimitrova, S.S.; Gaidarov, M.K.; Antonov, A.N.; Stoitsov, M.V.; Hodgson, P.E; Lukyanov, V.K.; Zemlyanaya, E.V.; Krumova, G.Z.
1997-01-01
Overlap functions and spectroscopic factors extracted from a model one-body density matrix (OBDM) accounting for short-range nucleon-nucleon correlations are used to calculate differential cross sections of (p, d) reactions and the momentum distributions of transitions to single-particle states in 16 O and 40 Ca. A comparison between the experimental (p, d) and (e, e'p) data, their DWBA and CDWIA analyses and the OBDM calculations is made. Our theoretical predictions for the spectroscopic factors are compared with the empirically extracted ones. It is shown that the overlap functions obtained within the Jastrow correlation method are applicable to the description of the quantities considered. (author)
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.
Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.
2018-03-01
A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.
Prucker, V; Bockstedte, M; Thoss, M; Coto, P B
2018-03-28
A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.
Models based on multichannel R-matrix theory for evaluating light element reactions
International Nuclear Information System (INIS)
Dodder, D.C.; Hale, G.M.; Nisley, R.A.; Witte, K.; Young, P.G.
1975-01-01
Multichannel R-matrix theory has been used as a basis for models for analysis and evaluation of light nuclear systems. These models have the characteristic that data predictions can be made utilizing information derived from other reactions related to the one of primary interest. Several examples are given where such an approach is valid and appropriate. (auth.)
Standard error propagation in R-matrix model fitting for light elements
International Nuclear Information System (INIS)
Chen Zhenpeng; Zhang Rui; Sun Yeying; Liu Tingjin
2003-01-01
The error propagation features with R-matrix model fitting 7 Li, 11 B and 17 O systems were researched systematically. Some laws of error propagation were revealed, an empirical formula P j = U j c / U j d = K j · S-bar · √m / √N for describing standard error propagation was established, the most likely error ranges for standard cross sections of 6 Li(n,t), 10 B(n,α0) and 10 B(n,α1) were estimated. The problem that the standard error of light nuclei standard cross sections may be too small results mainly from the R-matrix model fitting, which is not perfect. Yet R-matrix model fitting is the most reliable evaluation method for such data. The error propagation features of R-matrix model fitting for compound nucleus system of 7 Li, 11 B and 17 O has been studied systematically, some laws of error propagation are revealed, and these findings are important in solving the problem mentioned above. Furthermore, these conclusions are suitable for similar model fitting in other scientific fields. (author)
The extracellular matrix - the under-recognized element in lung disease?
Burgess, Janette K.; Mauad, Thais; Tjin, Gavin; Karlsson, Jenny C.; Westergren-Thorsson, Gunilla
2016-01-01
The lung is composed of airways and lung parenchyma, and the extracellular matrix (ECM) contains the main building blocks of both components. The ECM provides physical support and stability to the lung, and as such it has in the past been regarded as an inert structure. More recent research has
Low diversity, activity, and density of transposable elements in five avian genomes.
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.
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.
Density induced phase transitions in the Schwinger model. A study with matrix product states
Energy Technology Data Exchange (ETDEWEB)
Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC
2017-02-15
We numerically study the zero temperature phase structure of the multiflavor Schwinger model at nonzero chemical potential. Using matrix product states, we reproduce analytical results for the phase structure for two flavors in the massless case and extend the computation to the massive case, where no analytical predictions are available. Our calculations allow us to locate phase transitions in the mass-chemical potential plane with great precision and provide a concrete example of tensor networks overcoming the sign problem in a lattice gauge theory calculation.
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
Density matrix of a quantum field in a particle-creating background
International Nuclear Information System (INIS)
Gavrilov, S.P.; Gitman, D.M.; Tomazelli, J.L.
2008-01-01
We examine the time evolution of a quantized field in external backgrounds that violate the stability of vacuum (particle-creating backgrounds). Our purpose is to study the exact form of the final quantum state (the density operator at the final instant of time) that has emerged from a given arbitrary initial state (from a given arbitrary density operator at the initial time instant) in the course of evolution. We find a generating functional that allows one to obtain density operators for an arbitrary initial state. Averaging over states of the subsystem of antiparticles (particles), we obtain explicit forms of reduced density operators for the subsystem of particles (antiparticles). Analyzing one-particle correlation functions, we establish a one-to-one correspondence between these functions and the reduced density operators. It is shown that in the general case a presence of bosons (e.g., gluons) in the initial state increases the creation rate of the same type of bosons. We discuss the question (and its relation to the initial stage of quark-gluon plasma formation) whether a thermal form of one-particle distribution can appear even if the final state of the complete system is not in thermal equilibrium. In this respect, we discuss some cases when pair-creation by an electric-like field can mimic the one-particle thermal distribution. We apply our technics to some QFT problems in slowly varying electric-like backgrounds: electric, SU(3) chromoelectric, and metric. In particular, we analyze the time and temperature behavior of the mean numbers of created particles, provided that the effects of switching the external field on and off are negligible. It is demonstrated that at high temperatures and in slowly varying electric fields the rate of particle-creation is essentially time-dependent
Density matrix of a quantum field in a particle-creating background
Energy Technology Data Exchange (ETDEWEB)
Gavrilov, S.P. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: gavrilovsergeyp@yahoo.com; Gitman, D.M. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: gitman@dfn.if.usp.br; Tomazelli, J.L. [Instituto de Fisica, Universidade de Sao Paulo, Caixa Postal 66318, CEP 05315-970 Sao Paulo, SP (Brazil)], E-mail: tomazelli@fsc.ufsc.br
2008-06-01
We examine the time evolution of a quantized field in external backgrounds that violate the stability of vacuum (particle-creating backgrounds). Our purpose is to study the exact form of the final quantum state (the density operator at the final instant of time) that has emerged from a given arbitrary initial state (from a given arbitrary density operator at the initial time instant) in the course of evolution. We find a generating functional that allows one to obtain density operators for an arbitrary initial state. Averaging over states of the subsystem of antiparticles (particles), we obtain explicit forms of reduced density operators for the subsystem of particles (antiparticles). Analyzing one-particle correlation functions, we establish a one-to-one correspondence between these functions and the reduced density operators. It is shown that in the general case a presence of bosons (e.g., gluons) in the initial state increases the creation rate of the same type of bosons. We discuss the question (and its relation to the initial stage of quark-gluon plasma formation) whether a thermal form of one-particle distribution can appear even if the final state of the complete system is not in thermal equilibrium. In this respect, we discuss some cases when pair-creation by an electric-like field can mimic the one-particle thermal distribution. We apply our technics to some QFT problems in slowly varying electric-like backgrounds: electric, SU(3) chromoelectric, and metric. In particular, we analyze the time and temperature behavior of the mean numbers of created particles, provided that the effects of switching the external field on and off are negligible. It is demonstrated that at high temperatures and in slowly varying electric fields the rate of particle-creation is essentially time-dependent.
Fixation of actinide elements into zeolites/zeotypes and Flexcrete-cement matrix
International Nuclear Information System (INIS)
Amini, S.; Dyer, A.; Durrani, S.K.
1993-01-01
The leaching behavior of α-emitter radionuclides (uranium and americium) from zeolite-L and the zeotype (SAPO-34) in a Flexcrete-cement matrix were examined by static and dynamic methods using 0.005M CaCl 2 and synthetic ground water as leachants. The leaching rates of UO 2 2+ were found to be higher by about ten orders of magnitude than those of Am 3+ for both zeolite-L and SAPO-34 in the cement matrix. The static and dynamic leaching rates of UO 2 2+ for SAPO-34 in CaCl 2 and synthetic ground water were ten orders of magnitude lower than those for L. SAPO-34 showed good selectivity for uranium at pH 2-3.5 and L was usefully selective for Am 3+ . Distribution coefficients of Am 3+ and UO 2 2+ increased with equilibrium pH. (author) 20 refs.; 2 figs.; 4 tabs
International Nuclear Information System (INIS)
Chen, Xin
2014-01-01
Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems
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."
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."
Spin alignment and density matrix measurement in 28Si + 12C orbiting reaction
International Nuclear Information System (INIS)
Ray, A.; Shapira, D.; Halbert, M.L.; Gomez del Campo, J.; Kim, H.J.; Sullivan, J.P.; Shivakumar, B.; Mitchell, J.
1990-01-01
Gamma-ray angular correlations have been measured for the strongly damped reactions 12 C( 28 Si, 12 C) 28 Si between θ cm = (120 degree - 160 degree) for E cm = 43.5 and 48 MeV. We find that the density matrices for the 12 C(2 1 + ) and 28 Si states are almost diagonal with respect to the direction of motion of the outgoing particle. The measured density matrices and spin alignments are consistent with the picture of formation of a long-lived dinuclear complex undergoing orbiting, bending and wriggling motions, but not with those obtained from statistical compound nucleus or sticking model calculations. 17 refs., 2 figs., 1 tab
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.
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.
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.
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.
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
International Nuclear Information System (INIS)
Pascual, J.
1987-01-01
An X-ray fluorescence method for determining trace elements in silicate rock samples was studied. The procedure focused on the application of the pertinent matrix corrections. Either the Compton peak or the reciprocal of the mass absorption coefficient of the sample was used as internal standard for this purpose. X-ray tubes with W or Cr anodes were employed, and the W Lβ and Cr Kα Compton intensities scattered by the sample were measured. The mass absorption coefficients at both sides of the absorption edge for Fe (1.658 and 1.936 A) were calculated. The elements Zr, Y, Rb, Zn, Ni, Cr and V were determined in 15 international reference rocks covering wide ranges of concentration. Relative mean errors were in many cases less than 10%. (author)
Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar
2017-11-01
Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below
Matrix units and Schur elements for the degenerate cyclotomic Hecke algebras
Zhao, Deke
2011-01-01
The paper uses the cellular basis of the (semi-simple) degenerate cyclotomic Hecke algebras to investigate these algebras exhaustively. As a consequence, we describe explicitly the "Young's seminormal form" and a orthogonal bases for Specht modules and determine explicitly the closed formula for the natural bilinear form on Specht modules and Schur elements for the degenerate cyclotomic Hekce algebras.
Directory of Open Access Journals (Sweden)
Kicošev Vesna
2015-01-01
Full Text Available Salt steppes and marshes represent the most valuable ecosystems in the world, providing numerous ecosystem services that are extremely vulnerable to anthropogenic influences. These types of habitat in the territory of Serbia are most dominant in Banat and a significant portion of them is under protection or in the process of becoming protected. The section surrounding the protected areas of Slano Kopovo Special Nature Reserve, Rusanda Nature Park and Okanj Bara Special Nature Reserve with the non-building area of Novi Bečej, Kumane, Melenci, Elemir and Taraš cadastral municipalities, has been chosen for the analysis. The aim of this paper was to assess the influence of specific anthropogenic factors on the elements of an ecological network using the analytical method that can generate the required results in a manner suitable for presentation to various stakeholders. To achieve this aim, the Leopold matrix model, used for assessing anthropogenic influence on the environment, has been chosen. The specificity of this issue of protecting and preserving elements of an ecological network resulted in the need to isolate and evaluate the factors affecting the preservation of habitats and functionality of ecosystems, unlike the concept of Leopold matrix, which treats all factors as equally important in the process of evaluation. Evaluation results indicate significant effects of historical, perennial manner of using the area and other resources in the non-building area.
Progress on Complex Langevin simulations of a finite density matrix model for QCD
Energy Technology Data Exchange (ETDEWEB)
Bloch, Jacques [Univ. of Regensburg (Germany). Inst. for Theorectical Physics; Glesaan, Jonas [Swansea Univ., Swansea U.K.; Verbaarschot, Jacobus [Stony Brook Univ., NY (United States). Dept. of Physics and Astronomy; Zafeiropoulos, Savvas [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States); Heidelberg Univ. (Germany). Inst. for Theoretische Physik
2018-04-01
We study the Stephanov model, which is an RMT model for QCD at finite density, using the Complex Langevin algorithm. Naive implementation of the algorithm shows convergence towards the phase quenched or quenched theory rather than to intended theory with dynamical quarks. A detailed analysis of this issue and a potential resolution of the failure of this algorithm are discussed. We study the effect of gauge cooling on the Dirac eigenvalue distribution and time evolution of the norm for various cooling norms, which were specifically designed to remove the pathologies of the complex Langevin evolution. The cooling is further supplemented with a shifted representation for the random matrices. Unfortunately, none of these modifications generate a substantial improvement on the complex Langevin evolution and the final results still do not agree with the analytical predictions.
International Nuclear Information System (INIS)
Giambiagi, M.S. de; Giambiagi, M.
1982-01-01
Direct PPP-type calculations of self-consistent (SC) density matrices for excited states are described and the corresponding 'thawn' molecular orbitals (MO) are discussed. Special attention is addressed to particular solutions arising in conjugated systems of a certain symmetry, and to their chemical implications. The U(2) and U(3) algebras are applied respectively to the 4-electron and 6-electron cases: a natural separation of excited states in different cases follows. A simple approach to the convergence problem for excited states is given. The complementarity relations, an alternative formulation of the pairing theorem valid for heteromolecules and non-alternant systems, allow some fruitful experimental applications. Together with the extended pairing relations shown here, they may help to rationalize general trends. (Author) [pt
Energy Technology Data Exchange (ETDEWEB)
Cwik, T. [California Institute of Technology, Pasadena, CA (United States); Katz, D.S. [Cray Research, El Segundo, CA (United States)
1996-12-31
Finite element modeling has proven useful for accurately simulating scattered or radiated electromagnetic fields from complex three-dimensional objects whose geometry varies on the scale of a fraction of an electrical wavelength. An unstructured finite element model of realistic objects leads to a large, sparse, system of equations that needs to be solved efficiently with regard to machine memory and execution time. Both factorization and iterative solvers can be used to produce solutions to these systems of equations. Factorization leads to high memory requirements that limit the electrical problem size of three-dimensional objects that can be modeled. An iterative solver can be used to efficiently solve the system without excessive memory use and in a minimal amount of time if the convergence rate is controlled.
Directory of Open Access Journals (Sweden)
Prokhin Egor Anatol’evich
2016-10-01
Full Text Available In the modern conditions innovatization of construction is of great necessity, though it is associated with a number of problems of first of all institutional genesis. The development of green construction in Russia is on its first stages, though its necessity is growing according to the tendency for energy efficiency and sustainable development. The innovative process of ecological construction has a network model and requires its optimization with the aim of further development by advancing the institutional platform. The author proposed a conceptual scheme for an institutional platform of the innovative process of green construction and conducted systematization of institutional structures. The unique role of innovative and ecological institutes is substantiated. The author recommends an optimization method for institutional interaction of the subjects using the stakeholder theory and the theory of matrix games aimed at activation of innovative green technologies. Practical application of the offered algorithms and methods will allow increasing the efficiency of green construction development.
The determination of light elements in heavy matrix using proton induced X-ray emission
International Nuclear Information System (INIS)
Levenets, V.V.; Omel'nik, A.P.; Shchur, A.A.; Chernov, A.E.; Usikov, N.P.; Zats, A.V.
2007-01-01
In this report the possibility of determination of light impurities in heavy matrixes is studied using proton induced X-Ray emission. The wide-band X-ray emission filter made from pyrolytic graphite was used in spectrometric scheme of experiment. The results of studying of filter features in energy range of X-ray emission from 4 to 12 keV were presented. The possibilities were examined of application of pyrolytic graphite filter to modify the X-rays spectrum for determination of iron, using characteristic emission of K-series, and hafnium, using L-series, in substances on base of zirconium (glasses, alloys etc.). It was shown, that the using of similar filter allows to reach the significant improving of metrological characteristics of analysis of mentioned impurities: the limits of detection of iron and hafnium were lowered single-order of magnitude. (authors)
Directory of Open Access Journals (Sweden)
Weigelt C.
2012-08-01
Full Text Available Two designs of square-celled metallic honeycomb structures fabricated by a modified extrusion technology based on a powder feedstock were investigated. The strength and ductility of these cellular materials are achieved by an austenitic CrNi (AISI 304 steel matrix particle reinforced by an MgO partially-stabilized zirconia building up their cell wall microstructure. Similar to the mechanical behaviour of the bulk materials, the strengthening mechanism and the martensitic phase transformations in the cell walls are affected by the deformation temperature and the nominal strain rate. The microstructure evolution during quasi-static and dynamic impact compression up to high strain rates of 103 1/s influences the buckling and failure behaviour of the honeycomb structures. In contrast to bending-dominated quasi-isotropic networks like open-celled metal foams, axial compressive loading to the honeycomb’s channels causes membrane stretching as well as crushing of the vertical cell node elements and cell walls. The presented honeycomb materials differ geometrically in their cell wall thickness-to-cell size-ratio. Therefore, the failure behaviour is predominantly controlled by global buckling and torsional-flexural buckling, respectively, accompanied by plastic matrix flow and strengthening of the cell wall microstructure.
Kanharat, Nongnuch; Tuamsuk, Panya
2015-01-01
Prostate cancer is a major concern of public health. Microvascular density (MVD) is one of the prognostic markers for various solid cancers. Matrix metalloproteinase 11 (MMP11) plays an important role in angiogenesis and changes in its expression level are known to be associated with tumor progression and clinical outcome. To investigate the relationship between MVD and MMP11 expression in prostatic adenocarcinoma tissues. The expression levels of MMP11 and MVD were analyzed immunohistochemically for 50 specimens of prostatic adenocarcinoma. MMP11 was mainly expressed in stromal cells but rarely seen in epithelial cells. Mean MVD was 36/mm2, and it was correlated significantly only with bone metastases. MVD was also significantly correlated with MMP11 expression (r=0.29, p=0.044). MMP11 may alter the stromal microenvironment of prostate cancer to stimulate tumor angiogenesis.
Energy Technology Data Exchange (ETDEWEB)
Biplab Dey, Michael E. McCracken, David G. Ireland, Curtis A. Meyer
2011-05-01
The complete expression for the intensity in pseudo-scalar meson photoproduction with a polarized beam, target, and recoil baryon is derived using a density matrix approach that offers great economy of notation. A Cartesian basis with spins for all particles quantized along a single direction, the longitudinal beam direction, is used for consistency and clarity in interpretation. A single spin-quantization axis for all particles enables the amplitudes to be written in a manifestly covariant fashion with simple relations to those of the well-known CGLN formalism. Possible sign discrepancies between theoretical amplitude-level expressions and experimentally measurable intensity profiles are dealt with carefully. Our motivation is to provide a coherent framework for coupled-channel partial-wave analysis of several meson photoproduction reactions, incorporating recently published and forthcoming polarization data from Jefferson Lab.
International Nuclear Information System (INIS)
SivaRanjan, Uppala; Ramachandran, Ramesh
2014-01-01
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R 2 ) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R 2 experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR
Energy Technology Data Exchange (ETDEWEB)
Schmidt, David; Engel, Ralph; Roth, Markus [Karlsruhe Institute of Technology, Karlsruhe (Germany); Collaboration: Pierre Auger-Collaboration
2015-07-01
Event-by-event identification of cosmic ray primary composition lends itself to enhanced event selection in the search for anisotropic arrival directions. Principally, the number of muons reaching Earth's surface in an extensive air shower is indicative of composition. The Pierre Auger Observatory seeks to capitalize on this axiom by improving reconstructed muonic density estimates via an upgrade to its surface detector array. This upgrade, consisting of placing a scintillator on top of each existing water Cherenkov detector, exploits the differing response of two detectors to muonic and electromagnetic particles. Exploitation of this difference may be expressed in a matrix formalism whose application to simulated proton and iron showers is presented here.
Energy Technology Data Exchange (ETDEWEB)
SivaRanjan, Uppala; Ramachandran, Ramesh, E-mail: rramesh@iisermohali.ac.in [Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Mohali, Sector 81, Manauli, P.O. Box-140306, Mohali, Punjab (India)
2014-02-07
A quantum-mechanical model integrating the concepts of reduced density matrix and effective Hamiltonians is proposed to explain the multi-spin effects observed in rotational resonance (R{sup 2}) nuclear magnetic resonance (NMR) experiments. Employing this approach, the spin system of interest is described in a reduced subspace inclusive of its coupling to the surroundings. Through suitable model systems, the utility of our theory is demonstrated and verified with simulations emerging from both analytic and numerical methods. The analytic results presented in this article provide an accurate description/interpretation of R{sup 2} experimental results and could serve as a test-bed for distinguishing coherent/incoherent effects in solid-state NMR.
Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao; Schwerdtfeger, Christine; Mazziotti, David
2013-08-07
Tensor hypercontraction is a method that allows the representation of a high-rank tensor as a product of lower-rank tensors. In this paper, we show how tensor hypercontraction can be applied to both the electron repulsion integral tensor and the two-particle excitation amplitudes used in the parametric 2-electron reduced density matrix (p2RDM) algorithm. Because only O(r) auxiliary functions are needed in both of these approximations, our overall algorithm can be shown to scale as O(r(4)), where r is the number of single-particle basis functions. We apply our algorithm to several small molecules, hydrogen chains, and alkanes to demonstrate its low formal scaling and practical utility. Provided we use enough auxiliary functions, we obtain accuracy similar to that of the standard p2RDM algorithm, somewhere between that of CCSD and CCSD(T).
Bischoff, Jan-Moritz; Jeckelmann, Eric
2017-11-01
We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems. The dynamical DMRG is used to compute the linear response of a finite system to an applied ac source-drain voltage; then the low-frequency finite-system response is extrapolated to the thermodynamic limit to obtain the dc conductance of an infinite system. The method is demonstrated on the one-dimensional spinless fermion model at half filling. Our method is able to replicate several predictions of the Luttinger liquid theory such as the renormalization of the conductance in a homogeneous conductor, the universal effects of a single barrier, and the resonant tunneling through a double barrier.
International Nuclear Information System (INIS)
Smeyers, Y.G.; Delgado-Barrio, G.
1976-01-01
The half-projected Hartree--Fock function for singlet states (HPHF) is analyzed in terms of natural electronic configurations. For this purpose the HPHF spinless density matrix and its natural orbitals are first deduced. It is found that the HPHF function does not contain any contribution from odd-times excited configurations. It is seen in addition, in the case of the singlet ground states, this function is approximately equivalent to two closed-shell configurations, although the nature of the excited one depends on the nuclear geometry. An example is given in the case of the LiH ground state. Finally, the application of this model for studying systems of more than two atoms is criticized
Kalthoff, Mona; Keim, Frederik; Krull, Holger; Uhrig, Götz S.
2017-05-01
The density matrix formalism and the equation of motion approach are two semi-analytical methods that can be used to compute the non-equilibrium dynamics of correlated systems. While for a bilinear Hamiltonian both formalisms yield the exact result, for any non-bilinear Hamiltonian a truncation is necessary. Due to the fact that the commonly used truncation schemes differ for these two methods, the accuracy of the obtained results depends significantly on the chosen approach. In this paper, both formalisms are applied to the quantum Rabi model. This allows us to compare the approximate results and the exact dynamics of the system and enables us to discuss the accuracy of the approximations as well as the advantages and the disadvantages of both methods. It is shown to which extent the results fulfill physical requirements for the observables and which properties of the methods lead to unphysical results.
Kumar, Manoranjan
2016-02-03
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.
Kumar, Manoranjan; Parvej, Aslam; Thomas, Simil; Ramasesha, S.; Soos, Z. G.
2016-01-01
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N=3n+1≈500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with NA≠NB. The ground state (GS) and spin densities ρr=⟨Szr⟩ at site r are quite different for junctions with S=1/2, 1, 3/2, and 2. The GS has finite total spin SG=2S(S) for even (odd) N and for MG=SG in the SG spin manifold, ρr>0(<0) at sites of the larger (smaller) sublattice. S=1/2 junctions have delocalized states and decreasing spin densities with increasing N. S=1 junctions have four localized Sz=1/2 states at the end of each arm and centered on the junction, consistent with localized states in S=1 chains with finite Haldane gap. The GS of S=3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S=1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S=3/2 or 2 junctions.
International Nuclear Information System (INIS)
Kirsch, Matthias
2009-01-01
exceeds the Standard Model expectation by 2 standard deviations. The result of the analysis presented here is in good agreement with the result of σ(p anti p→tb+X,tqb+X)=4.8± 1.3 pb, obtained from the combination of three other analyses performed on the same data set. From the cross section measurement a measurement of the strength vertical stroke V tb x f 1 L vertical stroke of the V-A coupling at the Wtb-vertex has been extracted. The result is vertical stroke V tb x f 1 L vertical stroke =1.42 -0.20 +0.21 . This value is above the Standard Model expectation by about 2∝standard deviations. The measurement agrees within uncertainties with the measurement of vertical stroke V tb x f 1 L vertical stroke =1.31 -0.21 +0.25 obtained by another analysis performed on the same data set. Constraining the prior of this measurement to the interval [0,1], i.e. setting the strength of the left-handed coupling f 1 L =1, a result for the CKM matrix element vertical stroke V tb vertical stroke has been determined to vertical stroke V tb vertical stroke =1.00 -0.08 +0.00 . From the posterior probability density of this measurement a lower limit for V tb has been set at 95% confidence level: vertical stroke V tb vertical stroke >0.79 rate at 95% C.L. (orig.)
Directory of Open Access Journals (Sweden)
S. D. Parkinson
2014-09-01
Full Text Available High-resolution direct numerical simulations (DNSs are an important tool for the detailed analysis of turbidity current dynamics. Models that resolve the vertical structure and turbulence of the flow are typically based upon the Navier–Stokes equations. Two-dimensional simulations are known to produce unrealistic cohesive vortices that are not representative of the real three-dimensional physics. The effect of this phenomena is particularly apparent in the later stages of flow propagation. The ideal solution to this problem is to run the simulation in three dimensions but this is computationally expensive. This paper presents a novel finite-element (FE DNS turbidity current model that has been built within Fluidity, an open source, general purpose, computational fluid dynamics code. The model is validated through re-creation of a lock release density current at a Grashof number of 5 × 106 in two and three dimensions. Validation of the model considers the flow energy budget, sedimentation rate, head speed, wall normal velocity profiles and the final deposit. Conservation of energy in particular is found to be a good metric for measuring model performance in capturing the range of dynamics on a range of meshes. FE models scale well over many thousands of processors and do not impose restrictions on domain shape, but they are computationally expensive. The use of adaptive mesh optimisation is shown to reduce the required element count by approximately two orders of magnitude in comparison with fixed, uniform mesh simulations. This leads to a substantial reduction in computational cost. The computational savings and flexibility afforded by adaptivity along with the flexibility of FE methods make this model well suited to simulating turbidity currents in complex domains.
Farrell, L. L.; McGovern, P. J.; Morgan, J. K.
2008-12-01
We have carried out 2-D numerical simulations using the discrete element method (DEM) to investigate density-driven deformation in volcanic edifices on Earth (e.g., Hawaii) and Mars (e.g., Olympus Mons and Arsia Mons). Located within volcanoes are series of magma chambers, reservoirs, and conduits where magma travels and collects. As magma differentiates, dense minerals settle out, building thick accumulations referred to as cumulates that can flow ductilely due to stresses imparted by gravity. To simulate this process, we construct granular piles subject to Coulomb frictional rheology, incrementally capture internal rectangular regions to which higher densities and lower interparticle friction values are assigned (analogs for denser, weaker cumulates), and then bond the granular edifice. Thus, following each growth increment, the edifice is allowed to relax gravitationally with a reconfigured weak cumulate core. The presence and outward spreading of the cumulate causes the development of distinctive structural and stratigraphic patterns. We obtained a range of volcanic shapes that vary from broad, shallowly dipping flanks reminiscent of those of Olympus Mons, to short, steep surface slopes more similar to Arsia Mons. Edifices lacking internal cumulate exhibit relatively horizontal strata compared to the high-angle, inward dipping strata that develops within the cumulate-bearing edifices. Our simulated volcanoes also illustrate a variety of gravity driven deformation features, including regions of thrust faulting within the flanks and large-scale flank collapses, as observed in Hawaii and inferred on Olympus Mons. We also see significant summit subsidence, and of particular interest, distinct summit calderas. The broad, flat caldera and convex upward profile of Arsia Mons appears to be well-simulated by cumulate-driven volcanic spreading. In contrast, the concave upward slopes of Olympus Mons are more challenging to reproduce, and instead are attributed to volcanic
Murphy, E; FitzGerald, O; Saxne, T; Bresnihan, B
2002-11-01
Chondromalacia patellae is a potentially disabling disorder characterised by features of patellar cartilage degradation. To evaluate markers of cartilage and bone turnover in patients with chondromalacia patellae. 18 patients with chondromalacia patellae were studied. Serum cartilage oligomeric matrix protein (s-COMP) and bone sialoprotein (s-BSP) levels were measured by enzyme linked immunosorbent assay (ELISA) and compared with those of age and sex matched healthy control subjects. Periarticular bone mineral density (BMD) of both knee joints was assessed by dual energy x ray absorptiometry (DXA). s-COMP levels were significantly raised in all patients with chondromalacia patellae compared with healthy control subjects (p=0.0001). s-BSP levels did not differ significantly between the groups (p=0.41). BMD of the patella was significantly reduced in patients with chondromalacia patellae compared with the control subjects (p=0.016). In patients with bilateral chondromalacia patellae, BMD of the patella was lower in the more symptomatic knee joint (p=0.005). Changes in periarticular BMD were localised to the patella and were not present in femoral regions. Neither s-COMP (p=0.18) nor s-BSP (p=0.40) levels correlated with patellar BMD. Increased s-COMP levels, reflecting cartilage degradation, and reduced BMD localised to the patella may represent clinically useful markers in the diagnosis and monitoring of patients with chondromalacia patellae. Measures of cartilage degradation did not correlate with loss of patellar bone density, suggesting dissociated pathophysiological mechanisms.
International Nuclear Information System (INIS)
Leal A, B.; Mireles G, F.; Quirino T, L.; Pinedo, J.L.
2005-01-01
In the area of the Radiological Safety it is required of a calibrated detection system in energy and efficiency for the determination of the concentration in activity in samples that vary in chemical composition and by this in density. The area of Nuclear Engineering requires to find the grade of isotopic enrichment of the uranium of the Sub-critic Nuclear Chicago 9000 Mark. Given the experimental importance that has the determination from the curves of efficiency to the effects of establishing the quantitative results, is appealed to the simulation of the response function of the detector used in the Regional Center of Nuclear Studies inside the range of energy of 80 keV to 1400 keV varying the density of the matrix and the chemical composition by means of the application of the Monte Carlo code MCNP-4A. The obtained results in the simulation of the response function of the detector show a grade of acceptance in the range from 500 to 1400 keV energy, with a smaller percentage discrepancy to 10%, in the range of low energy that its go from 59 to 400 keV, the percentage discrepancy varies from 17% until 30%, which is manifested in the opposing isotopic relationship for 5 fuel rods of the Sub critic nuclear assemble. (Author)
Jensen, Kevin L.; Finkenstadt, Daniel; Shabaev, Andrew; Lambrakos, Samuel G.; Moody, Nathan A.; Petillo, John J.; Yamaguchi, Hisato; Liu, Fangze
2018-01-01
Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al. [Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quantum yield, emittance, and emission models needed by beam optics codes are discussed.
Yan, YiJing
2014-02-07
This work establishes a strongly correlated system-and-bath dynamics theory, the many-dissipaton density operators formalism. It puts forward a quasi-particle picture for environmental influences. This picture unifies the physical descriptions and algebraic treatments on three distinct classes of quantum environments, electron bath, phonon bath, and two-level spin or exciton bath, as their participating in quantum dissipation processes. Dynamical variables for theoretical description are no longer just the reduced density matrix for system, but remarkably also those for quasi-particles of bath. The present theoretical formalism offers efficient and accurate means for the study of steady-state (nonequilibrium and equilibrium) and real-time dynamical properties of both systems and hybridizing environments. It further provides universal evaluations, exact in principle, on various correlation functions, including even those of environmental degrees of freedom in coupling with systems. Induced environmental dynamics could be reflected directly in experimentally measurable quantities, such as Fano resonances and quantum transport current shot noise statistics.
Finite element (fem) Kohn-Sham density functional approach to lighter dimers
International Nuclear Information System (INIS)
Kolb, D.; Kopylow, A.V.; Duesterhoft, C.; Heinemann, D.
1998-01-01
The very accurate Finite Element Method has been employed for a comparative study of various combinations of frequently used exchange and correlation density functionals both local and non-local. We also investigated the properties of the Colle- Salvetti orbital functional in KLI approximation. All these studies were done for atoms and dimers of the sp-shell which exhibits a rich variety of system dependent properties. Moving through the sp-shell we compare binding energies, radii and vibrational frequencies for ground state and excited configurations and also compute potential energy surfaces (curves) as a function of internuclear distance. The dependency of total energies on occupation number variations of the Kohn-Sham orbitals provides inferences on polarisation and alignment. An interesting question is how to incorporate at least approximately non- relativistic strict physical conservation laws like spin S 2 and S z , angular momentum L 2 and L z and parity and how to allow for symmetry breaking necessary for the dissociation e.g. of N 2 . (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)
A moving finite element model of the high density z-pinch
International Nuclear Information System (INIS)
Glasser, A.H.
1989-01-01
This paper presents the results of computations of the behavior of the fiber-initiated high density Z-pinch (HDZP). It purpose is twofold. One is to study the behavior of the physical system itself as an interesting controlled fusion experiment. The main result of this study is a demonstration of the relaxation of the full inertial behavior of the pinch to simplified self-similar behavior in which the forces on the system are in near balance. The moving free boundary and violent initial behavior of this configuration require carful treatment. This leads to the other purpose of the work, to use this realistic physical system as a test-bed for a general-purpose 1-dimensional code based on moving finite elements. A key step in accomplishing this goal has been the recognition that numerical stability of the discretized equations has required the use of nonconservative quantities as the fundamental dependent variables to be discretized. The main result of this work is a code which is capable of treating a very general class of nonlinear, time-dependent fluid equations. copyright 1989 Academic Press, Inc
International Nuclear Information System (INIS)
Llor-Aisa, Emma
2017-01-01
The Shock Ignition (SI) scheme is a promising approach to obtaining energy on a large scale. However, this scheme needs ablation pressures in the range of 300-400 Mbar to reach ignition. The objective of this thesis is therefore to better understand the underlying physics of high pressure generation by energetic electrons in a regime of intensity between one and ten peta-watt per cm"2. In this thesis, a model has been established for calculating the shock pressure generated by hot electrons and the time of its formation for an arbitrary electron energy distribution and plasma density profile. It is shown that a broader electron energy distribution leads to a more homogeneous energy deposition which implies a longer shock time formation and a reduction of the shock strength. These consequences should be taken into account in shock ignition target design. The extension of this model to the case of a inhomogeneous plasma shows that the low density corona decreases fast electrons energy and then the amount of energy deposited in the compressed target. This leads to a reduction of the time needed for the shock formation, of the shock pressure and the energy invested in the shock. This theoretical model allows us to interpret the experiment performed in spherical geometry on the OMEGA laser facility. The comparison between numerical simulations and experimental results allow us to characterize the electron source as well as shock pressure and dynamic. Finally, we propose a preliminary design of an experiment to explore the hot electron role in shock generation in planar geometry on the LMJ-PETAL laser facility. (author) [fr
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); Goedicke, A. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Theoretische Teilchenphysik; Wissbrock, F. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Research Inst. for Symbolic Computation (RISC)
2017-12-15
We report on our latest results in the calculation of the two-mass contributions to 3-loop operator matrix elements (OMEs). These OMEs are needed to compute the corresponding contributions to the deep-inelastic scattering structure functions and to generalize the variable flavor number scheme by including both charm and bottom quarks. We present the results for the non-singlet and A{sub gq,Q} OMEs, and compare the size of their contribution relative to the single mass case. Results for the gluonic OME A{sub gg,Q} are given in the physical case, going beyond those presented in a previous publication where scalar diagrams were computed. We also discuss our recently published two-mass contribution to the pure singlet OME, and present an alternative method of calculating the corresponding diagrams.
International Nuclear Information System (INIS)
Sen, S.; Balasubramaniam, R.; Sethuraman, R.
1996-01-01
The molar volume difference between the matrix and the precipitate phases in the case of solid state phase transformations results in the creation of stain energy in the system due to the misfit strains. A finite element model based on the initial strain approach is proposed to evaluate elasto-plastic accommodation energies during solid state transformation. The three-dimensional axisymmetric model has been used to evaluate energies as a function of transformation for α-β hydrogen transformations in the Nb-H system. The transformation has been analyzed for the cases of transformation progressing both from the center to surface and from the surface to center of the system. The effect of plastic deformation has been introduced to make the model realistic, specifically to the Nb-NbH phase transformation which involves a 4% linear misfit strain. It has been observed that plastic deformation reduces the strain energies compared to the linear elastic analysis
International Nuclear Information System (INIS)
Karaziya, R.I.; Rudzikajte, L.S.
1988-01-01
The general method to obtain the explicit expressions for sums of the matrix elements of Hamiltonian and transition operators has been extended. It can be used for determining the main characteristics of atomic spectra, such as the mean energy, the variance, the asymmetry coefficient, etc., as well as for the average quantities which describe the configuration mixing. By mean of this method the formula for the variance of the emission spectrum has been derived. It has been shown that this quantity of the emission spectrum can be expressed by the variances of the energy spectra of the initial and final configurations and by additional terms, caused by the distribution of the intensity in spectrum
Chegel, Raad; Behzad, Somayeh
2014-02-01
We have studied the electronic structure and dipole matrix element, D, of carbon nanotubes (CNTs) under magnetic field, using the third nearest neighbor tight binding model. It is shown that the 1NN and 3NN-TB band structures show differences such as the spacing and mixing of neighbor subbands. Applying the magnetic field leads to breaking the degeneracy behavior in the D transitions and creates new allowed transitions corresponding to the band modifications. It is found that |D| is proportional to the inverse tube radius and chiral angle. Our numerical results show that amount of filed induced splitting for the first optical peak is proportional to the magnetic field by the splitting rate ν11. It is shown that ν11 changes linearly and parabolicly with the chiral angle and radius, respectively.
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.
Henry, Jackson; Blair, Enrique P.
2018-02-01
Mixed-valence molecules provide an implementation for a high-speed, energy-efficient paradigm for classical computing known as quantum-dot cellular automata (QCA). The primitive device in QCA is a cell, a structure with multiple quantum dots and a few mobile charges. A single mixed-valence molecule can function as a cell, with redox centers providing quantum dots. The charge configuration of a molecule encodes binary information, and device switching occurs via intramolecular electron transfer between dots. Arrays of molecular cells adsorbed onto a substrate form QCA logic. Individual cells in the array are coupled locally via the electrostatic electric field. This device networking enables general-purpose computing. Here, a quantum model of a two-dot molecule is built in which the two-state electronic system is coupled to the dominant nuclear vibrational mode via a reorganization energy. This model is used to explore the effects of the electronic inter-dot tunneling (coupling) matrix element and the reorganization energy on device switching. A semi-classical reduction of the model also is made to investigate the competition between field-driven device switching and the electron-vibrational self-trapping. A strong electron-vibrational coupling (high reorganization energy) gives rise to self-trapping, which inhibits the molecule's ability to switch. Nonetheless, there remains an expansive area in the tunneling-reorganization phase space where molecules can support adequate tunneling. Thus, the relationship between the tunneling matrix element and the reorganization energy affords significant leeway in the design of molecules viable for QCA applications.
Kramer, Harald; Michaely, Henrik J; Matschl, Volker; Schmitt, Peter; Reiser, Maximilian F; Schoenberg, Stefan O
2007-06-01
Recent developments in hard- and software help to significantly increase image quality of magnetic resonance angiography (MRA). Parallel acquisition techniques (PAT) help to increase spatial resolution and to decrease acquisition time but also suffer from a decrease in signal-to-noise ratio (SNR). The movement to higher field strength and the use of dedicated angiography coils can further increase spatial resolution while decreasing acquisition times at the same SNR as it is known from contemporary exams. The goal of our study was to compare the image quality of MRA datasets acquired with a standard matrix coil in comparison to MRA datasets acquired with a dedicated peripheral angio matrix coil and higher factors of parallel imaging. Before the first volunteer examination, unaccelerated phantom measurements were performed with the different coils. After institutional review board approval, 15 healthy volunteers underwent MRA of the lower extremity on a 32 channel 3.0 Tesla MR System. In 5 of them MRA of the calves was performed with a PAT acceleration factor of 2 and a standard body-matrix surface coil placed at the legs. Ten volunteers underwent MRA of the calves with a dedicated 36-element angiography matrix coil: 5 with a PAT acceleration of 3 and 5 with a PAT acceleration factor of 4, respectively. The acquired volume and acquisition time was approximately the same in all examinations, only the spatial resolution was increased with the acceleration factor. The acquisition time per voxel was calculated. Image quality was rated independently by 2 readers in terms of vessel conspicuity, venous overlay, and occurrence of artifacts. The inter-reader agreement was calculated by the kappa-statistics. SNR and contrast-to-noise ratios from the different examinations were evaluated. All 15 volunteers completed the examination, no adverse events occurred. None of the examinations showed venous overlay; 70% of the examinations showed an excellent vessel conspicuity
2016-01-01
The problem of multi-scale modelling of damage development in a SiC ceramic fibre-reinforced SiC matrix ceramic composite tube is addressed, with the objective of demonstrating the ability of the finite-element microstructure meshfree (FEMME) model to introduce important aspects of the microstructure into a larger scale model of the component. These are particularly the location, orientation and geometry of significant porosity and the load-carrying capability and quasi-brittle failure behaviour of the fibre tows. The FEMME model uses finite-element and cellular automata layers, connected by a meshfree layer, to efficiently couple the damage in the microstructure with the strain field at the component level. Comparison is made with experimental observations of damage development in an axially loaded composite tube, studied by X-ray computed tomography and digital volume correlation. Recommendations are made for further development of the model to achieve greater fidelity to the microstructure. This article is part of the themed issue ‘Multiscale modelling of the structural integrity of composite materials’. PMID:27242308
Négrel , Philippe; Ladenberger , Anna; Reimann , Clemens; Birke , Manfred; Demetriades , Alecos; Sadeghi , Martiya
2018-01-01
International audience; The demand for a variety of mineral and/or element resources (e.g., rare earth elements, platinum group elements, cobalt, beryllium, lithium.. .) has increased with the continued consumption in developed countries and the emergence of developing economies. These elements are essential for maintaining and improving future quality of life, including many high-technology yet low-carbon industries. Two factors have been used by the NRC (National Research Council) to rank c...
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.
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.
Aray, Yosslen; Paredes, Ricardo; Álvarez, Luis Javier; Martiz, Alejandro
2017-06-14
The electron density localization in insulator and semiconductor elemental cubic materials with diamond structure, carbon, silicon, germanium, and tin, and good metallic conductors with face centered cubic structure such as α-Co, Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au, was studied using a localized electrons detector defined in the local moment representation. Our results clearly show an opposite pattern of the electron density localization for the cubic ceramic and transition metal materials. It was found that, for the elemental ceramic materials, the zone of low electron localization is very small and is mainly localized on the atomic basin edges. On the contrary, for the transition metals, there are low-valued localized electrons detector isocontours defining a zone of highly delocalized electrons that extends throughout the material. We have found that the best conductors are those in which the electron density at this low-value zone is the lowest.
Khachatryan, Vardan; Tumasyan, Armen; Adam, Wolfgang; Bergauer, Thomas; Dragicevic, Marko; Erö, Janos; Friedl, Markus; Fruehwirth, Rudolf; Ghete, Vasile Mihai; Hartl, Christian; Hörmann, Natascha; Hrubec, Josef; Jeitler, Manfred; Kiesenhofer, Wolfgang; Knünz, Valentin; Krammer, Manfred; Krätschmer, Ilse; Liko, Dietrich; Mikulec, Ivan; Rabady, Dinyar; Rahbaran, Babak; Rohringer, Herbert; Schöfbeck, Robert; Strauss, Josef; Treberer-Treberspurg, Wolfgang; Waltenberger, Wolfgang; Wulz, Claudia-Elisabeth; Mossolov, Vladimir; Shumeiko, Nikolai; Suarez Gonzalez, Juan; Alderweireldt, Sara; Bansal, Sunil; Cornelis, Tom; De Wolf, Eddi A; Janssen, Xavier; Knutsson, Albert; Lauwers, Jasper; Luyckx, Sten; Ochesanu, Silvia; Rougny, Romain; Van De Klundert, Merijn; Van Haevermaet, Hans; Van Mechelen, Pierre; Van Remortel, Nick; Van Spilbeeck, Alex; Blekman, Freya; Blyweert, Stijn; D'Hondt, Jorgen; Daci, Nadir; Heracleous, Natalie; Keaveney, James; Lowette, Steven; Maes, Michael; Olbrechts, Annik; Python, Quentin; Strom, Derek; Tavernier, Stefaan; Van Doninck, Walter; Van Mulders, Petra; Van Onsem, Gerrit Patrick; Villella, Ilaria; Caillol, Cécile; Clerbaux, Barbara; De Lentdecker, Gilles; Dobur, Didar; Favart, Laurent; Gay, Arnaud; Grebenyuk, Anastasia; Léonard, Alexandre; Mohammadi, Abdollah; Perniè, Luca; Randle-conde, Aidan; Reis, Thomas; Seva, Tomislav; Thomas, Laurent; Vander Velde, Catherine; Vanlaer, Pascal; Wang, Jian; Zenoni, Florian; Adler, Volker; Beernaert, Kelly; Benucci, Leonardo; Cimmino, Anna; Costantini, Silvia; Crucy, Shannon; Fagot, Alexis; Garcia, Guillaume; Mccartin, Joseph; Ocampo Rios, Alberto Andres; Poyraz, Deniz; Ryckbosch, Dirk; Salva Diblen, Sinem; Sigamani, Michael; Strobbe, Nadja; Thyssen, Filip; Tytgat, Michael; Yazgan, Efe; Zaganidis, Nicolas; Basegmez, Suzan; Beluffi, Camille; Bruno, Giacomo; Castello, Roberto; Caudron, Adrien; Ceard, Ludivine; Da Silveira, Gustavo Gil; Delaere, Christophe; Du Pree, Tristan; Favart, Denis; Forthomme, Laurent; Giammanco, Andrea; Hollar, Jonathan; Jafari, Abideh; Jez, Pavel; Komm, Matthias; Lemaitre, Vincent; Nuttens, Claude; Pagano, Davide; Perrini, Lucia; Pin, Arnaud; Piotrzkowski, Krzysztof; Popov, Andrey; Quertenmont, Loic; Selvaggi, Michele; Vidal Marono, Miguel; Vizan Garcia, Jesus Manuel; Beliy, Nikita; Caebergs, Thierry; Daubie, Evelyne; Hammad, Gregory Habib; Aldá Júnior, Walter Luiz; Alves, Gilvan; Brito, Lucas; Correa Martins Junior, Marcos; Dos Reis Martins, Thiago; Molina, Jorge; Mora Herrera, Clemencia; Pol, Maria Elena; Rebello Teles, Patricia; Carvalho, Wagner; Chinellato, Jose; Custódio, Analu; Melo Da Costa, Eliza; De Jesus Damiao, Dilson; De Oliveira Martins, Carley; Fonseca De Souza, Sandro; Malbouisson, Helena; Matos Figueiredo, Diego; Mundim, Luiz; Nogima, Helio; Prado Da Silva, Wanda Lucia; Santaolalla, Javier; Santoro, Alberto; Sznajder, Andre; Tonelli Manganote, Edmilson José; Vilela Pereira, Antonio; Bernardes, Cesar Augusto; Dogra, Sunil; Tomei, Thiago; De Moraes Gregores, Eduardo; Mercadante, Pedro G; Novaes, Sergio F; Padula, Sandra; Aleksandrov, Aleksandar; Genchev, Vladimir; Hadjiiska, Roumyana; Iaydjiev, Plamen; Marinov, Andrey; Piperov, Stefan; Rodozov, Mircho; Stoykova, Stefka; Sultanov, Georgi; Vutova, Mariana; Dimitrov, Anton; Glushkov, Ivan; Litov, Leander; Pavlov, Borislav; Petkov, Peicho; Bian, Jian-Guo; Chen, Guo-Ming; Chen, He-Sheng; Chen, Mingshui; Cheng, Tongguang; Du, Ran; Jiang, Chun-Hua; Plestina, Roko; Romeo, Francesco; Tao, Junquan; Wang, Zheng; Asawatangtrakuldee, Chayanit; Ban, Yong; Liu, Shuai; Mao, Yajun; Qian, Si-Jin; Wang, Dayong; Xu, Zijun; Zhang, Fengwangdong; Zhang, Linlin; Zou, Wei; Avila, Carlos; Cabrera, Andrés; Chaparro Sierra, Luisa Fernanda; Florez, Carlos; Gomez, Juan Pablo; Gomez Moreno, Bernardo; Sanabria, Juan Carlos; Godinovic, Nikola; Lelas, Damir; Polic, Dunja; Puljak, Ivica; Antunovic, Zeljko; Kovac, Marko; Brigljevic, Vuko; Kadija, Kreso; Luetic, Jelena; Mekterovic, Darko; Sudic, Lucija; Attikis, Alexandros; Mavromanolakis, Georgios; Mousa, Jehad; Nicolaou, Charalambos; Ptochos, Fotios; Razis, Panos A; Rykaczewski, Hans; Bodlak, Martin; Finger, Miroslav; Finger Jr, Michael; Assran, Yasser; Ellithi Kamel, Ali; Mahmoud, Mohammed; Radi, Amr; Kadastik, Mario; Murumaa, Marion; Raidal, Martti; Tiko, Andres; Eerola, Paula; Voutilainen, Mikko; Härkönen, Jaakko; Karimäki, Veikko; Kinnunen, Ritva; Lampén, Tapio; Lassila-Perini, Kati; Lehti, Sami; Lindén, Tomas; Luukka, Panja-Riina; Mäenpää, Teppo; Peltola, Timo; Tuominen, Eija; Tuominiemi, Jorma; Tuovinen, Esa; Wendland, Lauri; Talvitie, Joonas; Tuuva, Tuure; Besancon, Marc; Couderc, Fabrice; Dejardin, Marc; Denegri, Daniel; Fabbro, Bernard; Faure, Jean-Louis; Favaro, Carlotta; Ferri, Federico; Ganjour, Serguei; Givernaud, Alain; Gras, Philippe; Hamel de Monchenault, Gautier; Jarry, Patrick; Locci, Elizabeth; Malcles, Julie; Rander, John; Rosowsky, André; Titov, Maksym; Baffioni, Stephanie; Beaudette, Florian; Busson, Philippe; Chapon, Emilien; Charlot, Claude; Dahms, Torsten; Dobrzynski, Ludwik; Filipovic, Nicolas; Florent, Alice; Granier de Cassagnac, Raphael; Mastrolorenzo, Luca; Miné, Philippe; Naranjo, Ivo Nicolas; Nguyen, Matthew; Ochando, Christophe; Ortona, Giacomo; Paganini, Pascal; Regnard, Simon; Salerno, Roberto; Sauvan, Jean-Baptiste; Sirois, Yves; Veelken, Christian; Yilmaz, Yetkin; Zabi, Alexandre; Agram, Jean-Laurent; Andrea, Jeremy; Aubin, Alexandre; Bloch, Daniel; Brom, Jean-Marie; Chabert, Eric Christian; Chanon, Nicolas; Collard, Caroline; Conte, Eric; Fontaine, Jean-Charles; Gelé, Denis; Goerlach, Ulrich; Goetzmann, Christophe; Le Bihan, Anne-Catherine; Skovpen, Kirill; Van Hove, Pierre; Gadrat, Sébastien; Beauceron, Stephanie; Beaupere, Nicolas; Bernet, Colin; Boudoul, Gaelle; Bouvier, Elvire; Brochet, Sébastien; Carrillo Montoya, Camilo Andres; Chasserat, Julien; Chierici, Roberto; Contardo, Didier; Courbon, Benoit; Depasse, Pierre; El Mamouni, Houmani; Fan, Jiawei; Fay, Jean; Gascon, Susan; Gouzevitch, Maxime; Ille, Bernard; Kurca, Tibor; Lethuillier, Morgan; Mirabito, Laurent; Pequegnot, Anne-Laure; Perries, Stephane; Ruiz Alvarez, José David; Sabes, David; Sgandurra, Louis; Sordini, Viola; Vander Donckt, Muriel; Verdier, Patrice; Viret, Sébastien; Xiao, Hong; Tsamalaidze, Zviad; Autermann, Christian; Beranek, Sarah; Bontenackels, Michael; Edelhoff, Matthias; Feld, Lutz; Heister, Arno; Klein, Katja; Lipinski, Martin; Ostapchuk, Andrey; Preuten, Marius; Raupach, Frank; Sammet, Jan; Schael, Stefan; Schulte, Jan-Frederik; Weber, Hendrik; Wittmer, Bruno; Zhukov, Valery; Ata, Metin; Brodski, Michael; Dietz-Laursonn, Erik; Duchardt, Deborah; Erdmann, Martin; Fischer, Robert; Güth, Andreas; Hebbeker, Thomas; Heidemann, Carsten; Hoepfner, Kerstin; Klingebiel, Dennis; Knutzen, Simon; Kreuzer, Peter; Merschmeyer, Markus; Meyer, Arnd; Millet, Philipp; Olschewski, Mark; Padeken, Klaas; Papacz, Paul; Reithler, Hans; Schmitz, Stefan Antonius; Sonnenschein, Lars; Teyssier, Daniel; Thüer, Sebastian; Cherepanov, Vladimir; Erdogan, Yusuf; Flügge, Günter; Geenen, Heiko; Geisler, Matthias; Haj Ahmad, Wael; Hoehle, Felix; Kargoll, Bastian; Kress, Thomas; Kuessel, Yvonne; Künsken, Andreas; Lingemann, Joschka; Nowack, Andreas; Nugent, Ian Michael; Pistone, Claudia; Pooth, Oliver; Stahl, Achim; Aldaya Martin, Maria; Asin, Ivan; Bartosik, Nazar; Behr, Joerg; Behrens, Ulf; Bell, Alan James; Bethani, Agni; Borras, Kerstin; Burgmeier, Armin; Cakir, Altan; Calligaris, Luigi; Campbell, Alan; Choudhury, Somnath; Costanza, Francesco; Diez Pardos, Carmen; Dolinska, Ganna; Dooling, Samantha; Dorland, Tyler; Eckerlin, Guenter; Eckstein, Doris; Eichhorn, Thomas; Flucke, Gero; Garay Garcia, Jasone; Geiser, Achim; Gizhko, Andrii; Gunnellini, Paolo; Hauk, Johannes; Hempel, Maria; Jung, Hannes; Kalogeropoulos, Alexis; Karacheban, Olena; Kasemann, Matthias; Katsas, Panagiotis; Kieseler, Jan; Kleinwort, Claus; Korol, Ievgen; Krücker, Dirk; Lange, Wolfgang; Leonard, Jessica; Lipka, Katerina; Lobanov, Artur; Lohmann, Wolfgang; Lutz, Benjamin; Mankel, Rainer; Marfin, Ihar; Melzer-Pellmann, Isabell-Alissandra; Meyer, Andreas Bernhard; Mittag, Gregor; Mnich, Joachim; Mussgiller, Andreas; Naumann-Emme, Sebastian; Nayak, Aruna; Ntomari, Eleni; Perrey, Hanno; Pitzl, Daniel; Placakyte, Ringaile; Raspereza, Alexei; Ribeiro Cipriano, Pedro M; Roland, Benoit; Ron, Elias; Sahin, Mehmet Özgür; Salfeld-Nebgen, Jakob; Saxena, Pooja; Schoerner-Sadenius, Thomas; Schröder, Matthias; Seitz, Claudia; Spannagel, Simon; Vargas Trevino, Andrea Del Rocio; Walsh, Roberval; Wissing, Christoph; Blobel, Volker; Centis Vignali, Matteo; Draeger, Arne-Rasmus; Erfle, Joachim; Garutti, Erika; Goebel, Kristin; Görner, Martin; Haller, Johannes; Hoffmann, Malte; Höing, Rebekka Sophie; Junkes, Alexandra; Kirschenmann, Henning; Klanner, Robert; Kogler, Roman; Lapsien, Tobias; Lenz, Teresa; Marchesini, Ivan; Marconi, Daniele; Nowatschin, Dominik; Ott, Jochen; Peiffer, Thomas; Perieanu, Adrian; Pietsch, Niklas; Poehlsen, Jennifer; Pöhlsen, Thomas; Rathjens, Denis; Sander, Christian; Schettler, Hannes; Schleper, Peter; Schlieckau, Eike; Schmidt, Alexander; Seidel, Markus; Sola, Valentina; Stadie, Hartmut; Steinbrück, Georg; Troendle, Daniel; Usai, Emanuele; Vanelderen, Lukas; Vanhoefer, Annika; Akbiyik, Melike; Barth, Christian; Baus, Colin; Berger, Joram; Böser, Christian; Butz, Erik; Chwalek, Thorsten; De Boer, Wim; Descroix, Alexis; Dierlamm, Alexander; Feindt, Michael; Frensch, Felix; Giffels, Manuel; Gilbert, Andrew; Hartmann, Frank; Hauth, Thomas; Husemann, Ulrich; Katkov, Igor; Kornmayer, Andreas; Lobelle Pardo, Patricia; Mozer, Matthias Ulrich; Müller, Thomas; Müller, Thomas; Nürnberg, Andreas; Quast, Gunter; Rabbertz, Klaus; Röcker, Steffen; Simonis, Hans-Jürgen; Stober, Fred-Markus Helmut; Ulrich, Ralf; Wagner-Kuhr, Jeannine; Wayand, Stefan; Weiler, Thomas; Wöhrmann, Clemens; Wolf, Roger; Anagnostou, Georgios; Daskalakis, Georgios; Geralis, Theodoros; Giakoumopoulou, Viktoria Athina; Kyriakis, Aristotelis; Loukas, Demetrios; Markou, Athanasios; Markou, Christos; Psallidas, Andreas; Topsis-Giotis, Iasonas; Agapitos, Antonis; Kesisoglou, Stilianos; Panagiotou, Apostolos; Saoulidou, Niki; Stiliaris, Efstathios; Tziaferi, Eirini; Aslanoglou, Xenofon; Evangelou, Ioannis; Flouris, Giannis; Foudas, Costas; Kokkas, Panagiotis; Manthos, Nikolaos; Papadopoulos, Ioannis; Paradas, Evangelos; Strologas, John; Bencze, Gyorgy; Hajdu, Csaba; Hidas, Pàl; Horvath, Dezso; Sikler, Ferenc; Veszpremi, Viktor; Vesztergombi, Gyorgy; Zsigmond, Anna Julia; Beni, Noemi; Czellar, Sandor; Karancsi, János; Molnar, Jozsef; Palinkas, Jozsef; Szillasi, Zoltan; Makovec, Alajos; Raics, Peter; Trocsanyi, Zoltan Laszlo; Ujvari, Balazs; Swain, Sanjay Kumar; Beri, Suman Bala; Bhatnagar, Vipin; Gupta, Ruchi; Bhawandeep, Bhawandeep; Kalsi, Amandeep Kaur; Kaur, Manjit; Kumar, Ramandeep; Mittal, Monika; Nishu, Nishu; Singh, Jasbir; Kumar, Ashok; Kumar, Arun; Ahuja, Sudha; Bhardwaj, Ashutosh; Choudhary, Brajesh C; Kumar, Ajay; Malhotra, Shivali; Naimuddin, Md; Ranjan, Kirti; Sharma, Varun; Banerjee, Sunanda; Bhattacharya, Satyaki; Chatterjee, Kalyanmoy; Dutta, Suchandra; Gomber, Bhawna; Jain, Sandhya; Jain, Shilpi; Khurana, Raman; Modak, Atanu; Mukherjee, Swagata; Roy, Debarati; Sarkar, Subir; Sharan, Manoj; Abdulsalam, Abdulla; Dutta, Dipanwita; Kumar, Vineet; Mohanty, Ajit Kumar; Pant, Lalit Mohan; Shukla, Prashant; Topkar, Anita; Aziz, Tariq; Banerjee, Sudeshna; Bhowmik, Sandeep; Chatterjee, Rajdeep Mohan; Dewanjee, Ram Krishna; Dugad, Shashikant; Ganguly, Sanmay; Ghosh, Saranya; Guchait, Monoranjan; Gurtu, Atul; Kole, Gouranga; Kumar, Sanjeev; Maity, Manas; Majumder, Gobinda; Mazumdar, Kajari; Mohanty, Gagan Bihari; Parida, Bibhuti; Sudhakar, Katta; Wickramage, Nadeesha; Sharma, Seema; Bakhshiansohi, Hamed; Behnamian, Hadi; Etesami, Seyed Mohsen; Fahim, Ali; Goldouzian, Reza; Khakzad, Mohsen; Mohammadi Najafabadi, Mojtaba; Naseri, Mohsen; Paktinat Mehdiabadi, Saeid; Rezaei Hosseinabadi, Ferdos; Safarzadeh, Batool; Zeinali, Maryam; Felcini, Marta; Grunewald, Martin; Abbrescia, Marcello; Calabria, Cesare; Chhibra, Simranjit Singh; Colaleo, Anna; Creanza, Donato; Cristella, Leonardo; De Filippis, Nicola; De Palma, Mauro; Fiore, Luigi; Iaselli, Giuseppe; Maggi, Giorgio; Maggi, Marcello; My, Salvatore; Nuzzo, Salvatore; Pompili, Alexis; Pugliese, Gabriella; Radogna, Raffaella; Selvaggi, Giovanna; Sharma, Archana; Silvestris, Lucia; Venditti, Rosamaria; Verwilligen, Piet; Abbiendi, Giovanni; Benvenuti, Alberto; Bonacorsi, Daniele; Braibant-Giacomelli, Sylvie; Brigliadori, Luca; Campanini, Renato; Capiluppi, Paolo; Castro, Andrea; Cavallo, Francesca Romana; Codispoti, Giuseppe; Cuffiani, Marco; Dallavalle, Gaetano-Marco; Fabbri, Fabrizio; Fanfani, Alessandra; Fasanella, Daniele; Giacomelli, Paolo; Grandi, Claudio; Guiducci, Luigi; Marcellini, Stefano; Masetti, Gianni; Montanari, Alessandro; Navarria, Francesco; Perrotta, Andrea; Rossi, Antonio; Rovelli, Tiziano; Siroli, Gian Piero; Tosi, Nicolò; Travaglini, Riccardo; Albergo, Sebastiano; Cappello, Gigi; Chiorboli, Massimiliano; Costa, Salvatore; Giordano, Ferdinando; Potenza, Renato; Tricomi, Alessia; Tuve, Cristina; Barbagli, Giuseppe; Ciulli, Vitaliano; Civinini, Carlo; D'Alessandro, Raffaello; Focardi, Ettore; Gallo, Elisabetta; Gonzi, Sandro; Gori, Valentina; Lenzi, Piergiulio; Meschini, Marco; Paoletti, Simone; Sguazzoni, Giacomo; Tropiano, Antonio; Benussi, Luigi; Bianco, Stefano; Fabbri, Franco; Piccolo, Davide; Ferretti, Roberta; Ferro, Fabrizio; Lo Vetere, Maurizio; Robutti, Enrico; Tosi, Silvano; Dinardo, Mauro Emanuele; Fiorendi, Sara; Gennai, Simone; Gerosa, Raffaele; Ghezzi, Alessio; Govoni, Pietro; Lucchini, Marco Toliman; Malvezzi, Sandra; Manzoni, Riccardo Andrea; Martelli, Arabella; Marzocchi, Badder; Menasce, Dario; Moroni, Luigi; Paganoni, Marco; Pedrini, Daniele; Ragazzi, Stefano; Redaelli, Nicola; Tabarelli de Fatis, Tommaso; Buontempo, Salvatore; Cavallo, Nicola; Di Guida, Salvatore; Fabozzi, Francesco; Iorio, Alberto Orso Maria; Lista, Luca; Meola, Sabino; Merola, Mario; Paolucci, Pierluigi; Azzi, Patrizia; Bacchetta, Nicola; Bisello, Dario; Carlin, Roberto; Checchia, Paolo; Dall'Osso, Martino; Dorigo, Tommaso; Dosselli, Umberto; Fanzago, Federica; Gasparini, Fabrizio; Gasparini, Ugo; Gonella, Franco; Gozzelino, Andrea; Lacaprara, Stefano; Margoni, Martino; Meneguzzo, Anna Teresa; Pazzini, Jacopo; Pozzobon, Nicola; Ronchese, Paolo; Simonetto, Franco; Torassa, Ezio; Tosi, Mia; Zotto, Pierluigi; Zucchetta, Alberto; Zumerle, Gianni; Gabusi, Michele; Ratti, Sergio P; Re, Valerio; Riccardi, Cristina; Salvini, Paola; Vitulo, Paolo; Biasini, Maurizio; Bilei, Gian Mario; Ciangottini, Diego; Fanò, Livio; Lariccia, Paolo; Mantovani, Giancarlo; Menichelli, Mauro; Saha, Anirban; Santocchia, Attilio; Spiezia, Aniello; Androsov, Konstantin; Azzurri, Paolo; Bagliesi, Giuseppe; Bernardini, Jacopo; Boccali, Tommaso; Broccolo, Giuseppe; Castaldi, Rino; Ciocci, Maria Agnese; Dell'Orso, Roberto; Donato, Silvio; Fedi, Giacomo; Fiori, Francesco; Foà, Lorenzo; Giassi, Alessandro; Grippo, Maria Teresa; Ligabue, Franco; Lomtadze, Teimuraz; Martini, Luca; Messineo, Alberto; Moon, Chang-Seong; Palla, Fabrizio; Rizzi, Andrea; Savoy-Navarro, Aurore; Serban, Alin Titus; Spagnolo, Paolo; Squillacioti, Paola; Tenchini, Roberto; Tonelli, Guido; Venturi, Andrea; Verdini, Piero Giorgio; Vernieri, Caterina; Barone, Luciano; Cavallari, Francesca; D'imperio, Giulia; Del Re, Daniele; Diemoz, Marcella; Jorda, Clara; Longo, Egidio; Margaroli, Fabrizio; Meridiani, Paolo; Micheli, Francesco; Organtini, Giovanni; Paramatti, Riccardo; Rahatlou, Shahram; Rovelli, Chiara; Santanastasio, Francesco; Soffi, Livia; Traczyk, Piotr; Amapane, Nicola; Arcidiacono, Roberta; Argiro, Stefano; Arneodo, Michele; Bellan, Riccardo; Biino, Cristina; Cartiglia, Nicolo; Casasso, Stefano; Costa, Marco; Covarelli, Roberto; Degano, Alessandro; Demaria, Natale; Finco, Linda; Mariotti, Chiara; Maselli, Silvia; Migliore, Ernesto; Monaco, Vincenzo; Musich, Marco; Obertino, Maria Margherita; Pacher, Luca; Pastrone, Nadia; Pelliccioni, Mario; Pinna Angioni, Gian Luca; Potenza, Alberto; Romero, Alessandra; Ruspa, Marta; Sacchi, Roberto; Solano, Ada; Staiano, Amedeo; Tamponi, Umberto; Belforte, Stefano; Candelise, Vieri; Casarsa, Massimo; Cossutti, Fabio; Della Ricca, Giuseppe; Gobbo, Benigno; La Licata, Chiara; Marone, Matteo; Schizzi, Andrea; Umer, Tomo; Zanetti, Anna; Chang, Sunghyun; Kropivnitskaya, Anna; Nam, Soon-Kwon; Kim, Dong Hee; Kim, Gui Nyun; Kim, Min Suk; Kong, Dae Jung; Lee, Sangeun; Oh, Young Do; Park, Hyangkyu; Sakharov, Alexandre; Son, Dong-Chul; Kim, Tae Jeong; Ryu, Min Sang; Kim, Jae Yool; Moon, Dong Ho; Song, Sanghyeon; Choi, Suyong; Gyun, Dooyeon; Hong, Byung-Sik; Jo, Mihee; Kim, Hyunchul; Kim, Yongsun; Lee, Byounghoon; Lee, Kyong Sei; Park, Sung Keun; Roh, Youn; Yoo, Hwi Dong; Choi, Minkyoo; Kim, Ji Hyun; Park, Inkyu; Ryu, Geonmo; Choi, Young-Il; Choi, Young Kyu; Goh, Junghwan; Kim, Donghyun; Kwon, Eunhyang; Lee, Jongseok; Yu, Intae; Juodagalvis, Andrius; Komaragiri, Jyothsna Rani; Md Ali, Mohd Adli Bin; Wan Abdullah, Wan Ahmad Tajuddin; Casimiro Linares, Edgar; Castilla-Valdez, Heriberto; De La Cruz-Burelo, Eduard; Heredia-de La Cruz, Ivan; Hernandez-Almada, Alberto; Lopez-Fernandez, Ricardo; Sánchez Hernández, Alberto; Carrillo Moreno, Salvador; Vazquez Valencia, Fabiola; Pedraza, Isabel; Salazar Ibarguen, Humberto Antonio; Morelos Pineda, Antonio; Krofcheck, David; Butler, Philip H; Reucroft, Steve; Ahmad, Ashfaq; Ahmad, Muhammad; Hassan, Qamar; Hoorani, Hafeez R; Khan, Wajid Ali; Khurshid, Taimoor; Shoaib, Muhammad; Bialkowska, Helena; Bluj, Michal; Boimska, Bożena; Frueboes, Tomasz; Górski, Maciej; Kazana, Malgorzata; Nawrocki, Krzysztof; Romanowska-Rybinska, Katarzyna; Szleper, Michal; Zalewski, Piotr; Brona, Grzegorz; Bunkowski, Karol; Cwiok, Mikolaj; Dominik, Wojciech; Doroba, Krzysztof; Kalinowski, Artur; Konecki, Marcin; Krolikowski, Jan; Misiura, Maciej; Olszewski, Michał; Bargassa, Pedrame; Beirão Da Cruz E Silva, Cristóvão; Di Francesco, Agostino; Faccioli, Pietro; Ferreira Parracho, Pedro Guilherme; Gallinaro, Michele; Lloret Iglesias, Lara; Nguyen, Federico; Rodrigues Antunes, Joao; Seixas, Joao; Toldaiev, Oleksii; Vadruccio, Daniele; Varela, Joao; Vischia, Pietro; Bunin, Pavel; Gavrilenko, Mikhail; Golutvin, Igor; Kamenev, Alexey; Karjavin, Vladimir; Konoplyanikov, Viktor; Kozlov, Guennady; Lanev, Alexander; Malakhov, Alexander; Matveev, Viktor; Moisenz, Petr; Palichik, Vladimir; Perelygin, Victor; Savina, Maria; Shmatov, Sergey; Shulha, Siarhei; Smirnov, Vitaly; Zarubin, Anatoli; Golovtsov, Victor; Ivanov, Yury; Kim, Victor; Kuznetsova, Ekaterina; Levchenko, Petr; Murzin, Victor; Oreshkin, Vadim; Smirnov, Igor; Sulimov, Valentin; Uvarov, Lev; Vavilov, Sergey; Vorobyev, Alexey; Vorobyev, Andrey; Andreev, Yuri; Dermenev, Alexander; Gninenko, Sergei; Golubev, Nikolai; Kirsanov, Mikhail; Krasnikov, Nikolai; Pashenkov, Anatoli; Tlisov, Danila; Toropin, Alexander; Epshteyn, Vladimir; Gavrilov, Vladimir; Lychkovskaya, Natalia; Popov, Vladimir; Pozdnyakov, Ivan; Safronov, Grigory; Semenov, Sergey; Spiridonov, Alexander; Stolin, Viatcheslav; Vlasov, Evgueni; Zhokin, Alexander; Andreev, Vladimir; Azarkin, Maksim; Dremin, Igor; Kirakosyan, Martin; Leonidov, Andrey; Mesyats, Gennady; Rusakov, Sergey V; Vinogradov, Alexey; Belyaev, Andrey; Boos, Edouard; Bunichev, Viacheslav; Dubinin, Mikhail; Dudko, Lev; Ershov, Alexander; Gribushin, Andrey; Klyukhin, Vyacheslav; Kodolova, Olga; Lokhtin, Igor; Obraztsov, Stepan; Petrushanko, Sergey; Savrin, Viktor; Azhgirey, Igor; Bayshev, Igor; Bitioukov, Sergei; Kachanov, Vassili; Kalinin, Alexey; Konstantinov, Dmitri; Krychkine, Victor; Petrov, Vladimir; Ryutin, Roman; Sobol, Andrei; Tourtchanovitch, Leonid; Troshin, Sergey; Tyurin, Nikolay; Uzunian, Andrey; Volkov, Alexey; Adzic, Petar; Ekmedzic, Marko; Milosevic, Jovan; Rekovic, Vladimir; Alcaraz Maestre, Juan; Battilana, Carlo; Calvo, Enrique; Cerrada, Marcos; Chamizo Llatas, Maria; Colino, Nicanor; De La Cruz, Begona; Delgado Peris, Antonio; Domínguez Vázquez, Daniel; Escalante Del Valle, Alberto; Fernandez Bedoya, Cristina; Fernández Ramos, Juan Pablo; Flix, Jose; Fouz, Maria Cruz; Garcia-Abia, Pablo; Gonzalez Lopez, Oscar; Goy Lopez, Silvia; Hernandez, Jose M; Josa, Maria Isabel; Navarro De Martino, Eduardo; Pérez-Calero Yzquierdo, Antonio María; Puerta Pelayo, Jesus; Quintario Olmeda, Adrián; Redondo, Ignacio; Romero, Luciano; Senghi Soares, Mara; Albajar, Carmen; de Trocóniz, Jorge F; Missiroli, Marino; Moran, Dermot; Brun, Hugues; Cuevas, Javier; Fernandez Menendez, Javier; Folgueras, Santiago; Gonzalez Caballero, Isidro; Brochero Cifuentes, Javier Andres; Cabrillo, Iban Jose; Calderon, Alicia; Duarte Campderros, Jordi; Fernandez, Marcos; Gomez, Gervasio; Graziano, Alberto; Lopez Virto, Amparo; Marco, Jesus; Marco, Rafael; Martinez Rivero, Celso; Matorras, Francisco; Munoz Sanchez, Francisca Javiela; Piedra Gomez, Jonatan; Rodrigo, Teresa; Rodríguez-Marrero, Ana Yaiza; Ruiz-Jimeno, Alberto; Scodellaro, Luca; Vila, Ivan; Vilar Cortabitarte, Rocio; Abbaneo, Duccio; Auffray, Etiennette; Auzinger, Georg; Bachtis, Michail; Baillon, Paul; Ball, Austin; Barney, David; Benaglia, Andrea; Bendavid, Joshua; Benhabib, Lamia; Benitez, Jose F; Bloch, Philippe; Bocci, Andrea; Bonato, Alessio; Bondu, Olivier; Botta, Cristina; Breuker, Horst; Camporesi, Tiziano; Cerminara, Gianluca; Colafranceschi, Stefano; D'Alfonso, Mariarosaria; D'Enterria, David; Dabrowski, Anne; David Tinoco Mendes, Andre; De Guio, Federico; De Roeck, Albert; De Visscher, Simon; Di Marco, Emanuele; Dobson, Marc; Dordevic, Milos; Dorney, Brian; Dupont-Sagorin, Niels; Elliott-Peisert, Anna; Franzoni, Giovanni; Funk, Wolfgang; Gigi, Dominique; Gill, Karl; Giordano, Domenico; Girone, Maria; Glege, Frank; Guida, Roberto; Gundacker, Stefan; Guthoff, Moritz; Hammer, Josef; Hansen, Magnus; Harris, Philip; Hegeman, Jeroen; Innocente, Vincenzo; Janot, Patrick; Kortelainen, Matti J; Kousouris, Konstantinos; Krajczar, Krisztian; Lecoq, Paul; Lourenco, Carlos; Magini, Nicolo; Malgeri, Luca; Mannelli, Marcello; Marrouche, Jad; Masetti, Lorenzo; Meijers, Frans; Mersi, Stefano; Meschi, Emilio; Moortgat, Filip; Morovic, Srecko; Mulders, Martijn; Orfanelli, Styliani; Orsini, Luciano; Pape, Luc; Perez, Emmanuelle; Petrilli, Achille; Petrucciani, Giovanni; Pfeiffer, Andreas; Pimiä, Martti; Piparo, Danilo; Plagge, Michael; Racz, Attila; Rolandi, Gigi; Rovere, Marco; Sakulin, Hannes; Schäfer, Christoph; Schwick, Christoph; Sharma, Archana; Siegrist, Patrice; Silva, Pedro; Simon, Michal; Sphicas, Paraskevas; Spiga, Daniele; Steggemann, Jan; Stieger, Benjamin; Stoye, Markus; Takahashi, Yuta; Treille, Daniel; Tsirou, Andromachi; Veres, Gabor Istvan; Wardle, Nicholas; Wöhri, Hermine Katharina; Wollny, Heiner; Zeuner, Wolfram Dietrich; Bertl, Willi; Deiters, Konrad; Erdmann, Wolfram; Horisberger, Roland; Ingram, Quentin; Kaestli, Hans-Christian; Kotlinski, Danek; Langenegger, Urs; Renker, Dieter; Rohe, Tilman; Bachmair, Felix; Bäni, Lukas; Bianchini, Lorenzo; Buchmann, Marco-Andrea; Casal, Bruno; Dissertori, Günther; Dittmar, Michael; Donegà, Mauro; Dünser, Marc; Eller, Philipp; Grab, Christoph; Hits, Dmitry; Hoss, Jan; Kasieczka, Gregor; Lustermann, Werner; Mangano, Boris; Marini, Andrea Carlo; Marionneau, Matthieu; Martinez Ruiz del Arbol, Pablo; Masciovecchio, Mario; Meister, Daniel; Mohr, Niklas; Musella, Pasquale; Nägeli, Christoph; Nessi-Tedaldi, Francesca; Pandolfi, Francesco; Pauss, Felicitas; Perrozzi, Luca; Peruzzi, Marco; Quittnat, Milena; Rebane, Liis; Rossini, Marco; Starodumov, Andrei; Takahashi, Maiko; Theofilatos, Konstantinos; Wallny, Rainer; Weber, Hannsjoerg Artur; Amsler, Claude; Canelli, Maria Florencia; Chiochia, Vincenzo; De Cosa, Annapaola; Hinzmann, Andreas; Hreus, Tomas; Kilminster, Benjamin; Lange, Clemens; Ngadiuba, Jennifer; Pinna, Deborah; Robmann, Peter; Ronga, Frederic Jean; Salerno, Daniel; Taroni, Silvia; Yang, Yong; Cardaci, Marco; Chen, Kuan-Hsin; Ferro, Cristina; Kuo, Chia-Ming; Lin, Willis; Lu, Yun-Ju; Volpe, Roberta; Yu, Shin-Shan; Chang, Paoti; Chang, You-Hao; Chao, Yuan; Chen, Kai-Feng; Chen, Po-Hsun; Dietz, Charles; Grundler, Ulysses; Hou, George Wei-Shu; Liu, Yueh-Feng; Lu, Rong-Shyang; Miñano Moya, Mercedes; Petrakou, Eleni; Tsai, Jui-fa; Tzeng, Yeng-Ming; Wilken, Rachel; Asavapibhop, Burin; Singh, Gurpreet; Srimanobhas, Norraphat; Suwonjandee, Narumon; Adiguzel, Aytul; Bakirci, Mustafa Numan; Cerci, Salim; Dozen, Candan; Dumanoglu, Isa; Eskut, Eda; Girgis, Semiray; Gokbulut, Gul; Guler, Yalcin; Gurpinar, Emine; Hos, Ilknur; Kangal, Evrim Ersin; Kayis Topaksu, Aysel; Onengut, Gulsen; Ozdemir, Kadri; Ozturk, Sertac; Polatoz, Ayse; Sunar Cerci, Deniz; Tali, Bayram; Topakli, Huseyin; Vergili, Mehmet; Zorbilmez, Caglar; Akin, Ilina Vasileva; Bilin, Bugra; Bilmis, Selcuk; Gamsizkan, Halil; Isildak, Bora; Karapinar, Guler; Ocalan, Kadir; Sekmen, Sezen; Surat, Ugur Emrah; Yalvac, Metin; Zeyrek, Mehmet; Albayrak, Elif Asli; Gülmez, Erhan; Kaya, Mithat; Kaya, Ozlem; Yetkin, Taylan; Cankocak, Kerem; Vardarlı, Fuat Ilkehan; Levchuk, Leonid; Sorokin, Pavel; Brooke, James John; Clement, Emyr; Cussans, David; Flacher, Henning; Goldstein, Joel; Grimes, Mark; Heath, Greg P; Heath, Helen F; Jacob, Jeson; Kreczko, Lukasz; Lucas, Chris; Meng, Zhaoxia; Newbold, Dave M; Paramesvaran, Sudarshan; Poll, Anthony; Sakuma, Tai; Seif El Nasr-storey, Sarah; Senkin, Sergey; Smith, Vincent J; Bell, Ken W; Belyaev, Alexander; Brew, Christopher; Brown, Robert M; Cockerill, David JA; Coughlan, John A; Harder, Kristian; Harper, Sam; Olaiya, Emmanuel; Petyt, David; Shepherd-Themistocleous, Claire; Thea, Alessandro; Tomalin, Ian R; Williams, Thomas; Womersley, William John; Worm, Steven; Baber, Mark; Bainbridge, Robert; Buchmuller, Oliver; Burton, Darren; Colling, David; Cripps, Nicholas; Dauncey, Paul; Davies, Gavin; De Wit, Adinda; Della Negra, Michel; Dunne, Patrick; Elwood, Adam; Ferguson, William; Fulcher, Jonathan; Futyan, David; Hall, Geoffrey; Iles, Gregory; Jarvis, Martyn; Karapostoli, Georgia; Kenzie, Matthew; Lane, Rebecca; Lucas, Robyn; Lyons, Louis; Magnan, Anne-Marie; Malik, Sarah; Mathias, Bryn; Nash, Jordan; Nikitenko, Alexander; Pela, Joao; Pesaresi, Mark; Petridis, Konstantinos; Raymond, David Mark; Rogerson, Samuel; Rose, Andrew; Seez, Christopher; Sharp, Peter; Tapper, Alexander; Vazquez Acosta, Monica; Virdee, Tejinder; Zenz, Seth Conrad; Cole, Joanne; Hobson, Peter R; Khan, Akram; Kyberd, Paul; Leggat, Duncan; Leslie, Dawn; Reid, Ivan; Symonds, Philip; Teodorescu, Liliana; Turner, Mark; Dittmann, Jay; Hatakeyama, Kenichi; Kasmi, Azeddine; Liu, Hongxuan; Pastika, Nathaniel; Scarborough, Tara; Wu, Zhenbin; Charaf, Otman; Cooper, Seth; Henderson, Conor; Rumerio, Paolo; Avetisyan, Aram; Bose, Tulika; Fantasia, Cory; Lawson, Philip; Richardson, Clint; Rohlf, James; St John, Jason; Sulak, Lawrence; Zou, David; Alimena, Juliette; Berry, Edmund; Bhattacharya, Saptaparna; Christopher, Grant; Cutts, David; Demiragli, Zeynep; Dhingra, Nitish; Ferapontov, Alexey; Garabedian, Alex; Heintz, Ulrich; Laird, Edward; Landsberg, Greg; Mao, Zaixing; Narain, Meenakshi; Sagir, Sinan; Sinthuprasith, Tutanon; Speer, Thomas; Swanson, Joshua; Breedon, Richard; Breto, Guillermo; Calderon De La Barca Sanchez, Manuel; Chauhan, Sushil; Chertok, Maxwell; Conway, John; Conway, Rylan; Cox, Peter Timothy; Erbacher, Robin; Gardner, Michael; Ko, Winston; Lander, Richard; Mulhearn, Michael; Pellett, Dave; Pilot, Justin; Ricci-Tam, Francesca; Shalhout, Shalhout; Smith, John; Squires, Michael; Stolp, Dustin; Tripathi, Mani; Wilbur, Scott; Yohay, Rachel; Cousins, Robert; Everaerts, Pieter; Farrell, Chris; Hauser, Jay; Ignatenko, Mikhail; Rakness, Gregory; Takasugi, Eric; Valuev, Vyacheslav; Weber, Matthias; Burt, Kira; Clare, Robert; Ellison, John Anthony; Gary, J William; Hanson, Gail; Heilman, Jesse; Ivova Rikova, Mirena; Jandir, Pawandeep; Kennedy, Elizabeth; Lacroix, Florent; Long, Owen Rosser; Luthra, Arun; Malberti, Martina; Olmedo Negrete, Manuel; Shrinivas, Amithabh; Sumowidagdo, Suharyo; Wimpenny, Stephen; Branson, James G; Cerati, Giuseppe Benedetto; Cittolin, Sergio; D'Agnolo, Raffaele Tito; Holzner, André; Kelley, Ryan; Klein, Daniel; Letts, James; Macneill, Ian; Olivito, Dominick; Padhi, Sanjay; Palmer, Christopher; Pieri, Marco; Sani, Matteo; Sharma, Vivek; Simon, Sean; Tadel, Matevz; Tu, Yanjun; Vartak, Adish; Welke, Charles; Würthwein, Frank; Yagil, Avraham; Zevi Della Porta, Giovanni; Barge, Derek; Bradmiller-Feld, John; Campagnari, Claudio; Danielson, Thomas; Dishaw, Adam; Dutta, Valentina; Flowers, Kristen; Franco Sevilla, Manuel; Geffert, Paul; George, Christopher; Golf, Frank; Gouskos, Loukas; Incandela, Joe; Justus, Christopher; Mccoll, Nickolas; Mullin, Sam Daniel; Richman, Jeffrey; Stuart, David; To, Wing; West, Christopher; Yoo, Jaehyeok; Apresyan, Artur; Bornheim, Adolf; Bunn, Julian; Chen, Yi; Duarte, Javier; Mott, Alexander; Newman, Harvey B; Pena, Cristian; Pierini, Maurizio; Spiropulu, Maria; Vlimant, Jean-Roch; Wilkinson, Richard; Xie, Si; Zhu, Ren-Yuan; Azzolini, Virginia; Calamba, Aristotle; Carlson, Benjamin; Ferguson, Thomas; Iiyama, Yutaro; Paulini, Manfred; Russ, James; Vogel, Helmut; Vorobiev, Igor; Cumalat, John Perry; Ford, William T; Gaz, Alessandro; Krohn, Michael; Luiggi Lopez, Eduardo; Nauenberg, Uriel; Smith, James; Stenson, Kevin; Wagner, Stephen Robert; Alexander, James; Chatterjee, Avishek; Chaves, Jorge; Chu, Jennifer; Dittmer, Susan; Eggert, Nicholas; Mirman, Nathan; Nicolas Kaufman, Gala; Patterson, Juliet Ritchie; Ryd, Anders; Salvati, Emmanuele; Skinnari, Louise; Sun, Werner; Teo, Wee Don; Thom, Julia; Thompson, Joshua; Tucker, Jordan; Weng, Yao; Winstrom, Lucas; Wittich, Peter; Winn, Dave; Abdullin, Salavat; Albrow, Michael; Anderson, Jacob; Apollinari, Giorgio; Bauerdick, Lothar AT; Beretvas, Andrew; Berryhill, Jeffrey; Bhat, Pushpalatha C; Bolla, Gino; Burkett, Kevin; Butler, Joel Nathan; Cheung, Harry; Chlebana, Frank; Cihangir, Selcuk; Elvira, Victor Daniel; Fisk, Ian; Freeman, Jim; Gottschalk, Erik; Gray, Lindsey; Green, Dan; Grünendahl, Stefan; Gutsche, Oliver; Hanlon, Jim; Hare, Daryl; Harris, Robert M; Hirschauer, James; Hooberman, Benjamin; Jindariani, Sergo; Johnson, Marvin; Joshi, Umesh; Klima, Boaz; Kreis, Benjamin; Kwan, Simon; Linacre, Jacob; Lincoln, Don; Lipton, Ron; Liu, Tiehui; Lopes De Sá, Rafael; Lykken, Joseph; Maeshima, Kaori; Marraffino, John Michael; Martinez Outschoorn, Verena Ingrid; Maruyama, Sho; Mason, David; McBride, Patricia; Merkel, Petra; Mishra, Kalanand; Mrenna, Stephen; Nahn, Steve; Newman-Holmes, Catherine; O'Dell, Vivian; Prokofyev, Oleg; Sexton-Kennedy, Elizabeth; Soha, Aron; Spalding, William J; Spiegel, Leonard; Taylor, Lucas; Tkaczyk, Slawek; Tran, Nhan Viet; Uplegger, Lorenzo; Vaandering, Eric Wayne; Vidal, Richard; Whitbeck, Andrew; Whitmore, Juliana; Yang, Fan; Acosta, Darin; Avery, Paul; Bortignon, Pierluigi; Bourilkov, Dimitri; Carver, Matthew; Curry, David; Das, Souvik; De Gruttola, Michele; Di Giovanni, Gian Piero; Field, Richard D; Fisher, Matthew; Furic, Ivan-Kresimir; Hugon, Justin; Konigsberg, Jacobo; Korytov, Andrey; Kypreos, Theodore; Low, Jia Fu; Matchev, Konstantin; Mei, Hualin; Milenovic, Predrag; Mitselmakher, Guenakh; Muniz, Lana; Rinkevicius, Aurelijus; Shchutska, Lesya; Snowball, Matthew; Sperka, David; Yelton, John; Zakaria, Mohammed; Hewamanage, Samantha; Linn, Stephan; Markowitz, Pete; Martinez, German; Rodriguez, Jorge Luis; Adams, Jordon Rowe; Adams, Todd; Askew, Andrew; Bochenek, Joseph; Diamond, Brendan; Haas, Jeff; Hagopian, Sharon; Hagopian, Vasken; Johnson, Kurtis F; Prosper, Harrison; Veeraraghavan, Venkatesh; Weinberg, Marc; Baarmand, Marc M; Hohlmann, Marcus; Kalakhety, Himali; Yumiceva, Francisco; Adams, Mark Raymond; Apanasevich, Leonard; Berry, Douglas; Betts, Russell Richard; Bucinskaite, Inga; Cavanaugh, Richard; Evdokimov, Olga; Gauthier, Lucie; Gerber, Cecilia Elena; Hofman, David Jonathan; Kurt, Pelin; O'Brien, Christine; Sandoval Gonzalez, Irving Daniel; Silkworth, Christopher; Turner, Paul; Varelas, Nikos; Bilki, Burak; Clarida, Warren; Dilsiz, Kamuran; Haytmyradov, Maksat; Khristenko, Viktor; Merlo, Jean-Pierre; Mermerkaya, Hamit; Mestvirishvili, Alexi; Moeller, Anthony; Nachtman, Jane; Ogul, Hasan; Onel, Yasar; Ozok, Ferhat; Penzo, Aldo; Rahmat, Rahmat; Sen, Sercan; Tan, Ping; Tiras, Emrah; Wetzel, James; Yi, Kai; Anderson, Ian; Barnett, Bruce Arnold; Blumenfeld, Barry; Bolognesi, Sara; Fehling, David; Gritsan, Andrei; Maksimovic, Petar; Martin, Christopher; Swartz, Morris; Xiao, Meng; Baringer, Philip; Bean, Alice; Benelli, Gabriele; Bruner, Christopher; Gray, Julia; Kenny III, Raymond Patrick; Majumder, Devdatta; Malek, Magdalena; Murray, Michael; Noonan, Daniel; Sanders, Stephen; Sekaric, Jadranka; Stringer, Robert; Wang, Quan; Wood, Jeffrey Scott; Chakaberia, Irakli; Ivanov, Andrew; Kaadze, Ketino; Khalil, Sadia; Makouski, Mikhail; Maravin, Yurii; Saini, Lovedeep Kaur; Skhirtladze, Nikoloz; Svintradze, Irakli; Gronberg, Jeffrey; Lange, David; Rebassoo, Finn; Wright, Douglas; Anelli, Christopher; Baden, Drew; Belloni, Alberto; Calvert, Brian; Eno, Sarah Catherine; Gomez, Jaime; Hadley, Nicholas John; Jabeen, Shabnam; Kellogg, Richard G; Kolberg, Ted; Lu, Ying; Mignerey, Alice; Pedro, Kevin; Shin, Young Ho; Skuja, Andris; Tonjes, Marguerite; Tonwar, Suresh C; Apyan, Aram; Barbieri, Richard; Baty, Austin; Bierwagen, Katharina; Brandt, Stephanie; Busza, Wit; Cali, Ivan Amos; Di Matteo, Leonardo; Gomez Ceballos, Guillelmo; Goncharov, Maxim; Gulhan, Doga; Klute, Markus; Lai, Yue Shi; Lee, Yen-Jie; Levin, Andrew; Luckey, Paul David; Paus, Christoph; Ralph, Duncan; Roland, Christof; Roland, Gunther; Stephans, George; Sumorok, Konstanty; Velicanu, Dragos; Veverka, Jan; Wyslouch, Bolek; Yang, Mingming; Zanetti, Marco; Zhukova, Victoria; Dahmes, Bryan; Gude, Alexander; Kao, Shih-Chuan; Klapoetke, Kevin; Kubota, Yuichi; Mans, Jeremy; Nourbakhsh, Shervin; Rusack, Roger; Singovsky, Alexander; Tambe, Norbert; Turkewitz, Jared; Acosta, John Gabriel; Oliveros, Sandra; Avdeeva, Ekaterina; Bloom, Kenneth; Bose, Suvadeep; Claes, Daniel R; Dominguez, Aaron; Gonzalez Suarez, Rebeca; Keller, Jason; Knowlton, Dan; Kravchenko, Ilya; Lazo-Flores, Jose; Meier, Frank; Ratnikov, Fedor; Snow, Gregory R; Zvada, Marian; Dolen, James; Godshalk, Andrew; Iashvili, Ia; Kharchilava, Avto; Kumar, Ashish; Rappoccio, Salvatore; Alverson, George; Barberis, Emanuela; Baumgartel, Darin; Chasco, Matthew; Massironi, Andrea; Morse, David Michael; Nash, David; Orimoto, Toyoko; Trocino, Daniele; Wang, Ren-Jie; Wood, Darien; Zhang, Jinzhong; Hahn, Kristan Allan; Kubik, Andrew; Mucia, Nicholas; Odell, Nathaniel; Pollack, Brian; Pozdnyakov, Andrey; Schmitt, Michael Henry; Stoynev, Stoyan; Sung, Kevin; Trovato, Marco; Velasco, Mayda; Won, Steven; Brinkerhoff, Andrew; Chan, Kwok Ming; Drozdetskiy, Alexey; Hildreth, Michael; Jessop, Colin; Karmgard, Daniel John; Kellams, Nathan; Lannon, Kevin; Lynch, Sean; Marinelli, Nancy; Musienko, Yuri; Pearson, Tessa; Planer, Michael; Ruchti, Randy; Smith, Geoffrey; Valls, Nil; Wayne, Mitchell; Wolf, Matthias; Woodard, Anna; Antonelli, Louis; Brinson, Jessica; Bylsma, Ben; Durkin, Lloyd Stanley; Flowers, Sean; Hart, Andrew; Hill, Christopher; Hughes, Richard; Kotov, Khristian; Ling, Ta-Yung; Luo, Wuming; Puigh, Darren; Rodenburg, Marissa; Winer, Brian L; Wolfe, Homer; Wulsin, Howard Wells; Driga, Olga; Elmer, Peter; Hardenbrook, Joshua; Hebda, Philip; Koay, Sue Ann; Lujan, Paul; Marlow, Daniel; Medvedeva, Tatiana; Mooney, Michael; Olsen, James; Piroué, Pierre; Quan, Xiaohang; Saka, Halil; Stickland, David; Tully, Christopher; Werner, Jeremy Scott; Zuranski, Andrzej; Brownson, Eric; Malik, Sudhir; Mendez, Hector; Ramirez Vargas, Juan Eduardo; Barnes, Virgil E; Benedetti, Daniele; Bortoletto, Daniela; Gutay, Laszlo; Hu, Zhen; Jha, Manoj; Jones, Matthew; Jung, Kurt; Kress, Matthew; Leonardo, Nuno; Miller, David Harry; Neumeister, Norbert; Primavera, Federica; Radburn-Smith, Benjamin Charles; Shi, Xin; Shipsey, Ian; Silvers, David; Svyatkovskiy, Alexey; Wang, Fuqiang; Xie, Wei; Xu, Lingshan; Zablocki, Jakub; Parashar, Neeti; Stupak, John; Adair, Antony; Akgun, Bora; Ecklund, Karl Matthew; Geurts, Frank JM; Li, Wei; Michlin, Benjamin; Padley, Brian Paul; Redjimi, Radia; Roberts, Jay; Zabel, James; Betchart, Burton; Bodek, Arie; de Barbaro, Pawel; Demina, Regina; Eshaq, Yossof; Ferbel, Thomas; Galanti, Mario; Garcia-Bellido, Aran; Goldenzweig, Pablo; Han, Jiyeon; Harel, Amnon; Hindrichs, Otto; Khukhunaishvili, Aleko; Korjenevski, Sergey; Petrillo, Gianluca; Verzetti, Mauro; Vishnevskiy, Dmitry; Ciesielski, Robert; Demortier, Luc; Goulianos, Konstantin; Mesropian, Christina; Arora, Sanjay; Barker, Anthony; Chou, John Paul; Contreras-Campana, Christian; Contreras-Campana, Emmanuel; Duggan, Daniel; Ferencek, Dinko; Gershtein, Yuri; Gray, Richard; Halkiadakis, Eva; Hidas, Dean; Hughes, Elliot; Kaplan, Steven; Kunnawalkam Elayavalli, Raghav; Lath, Amitabh; Panwalkar, Shruti; Park, Michael; Salur, Sevil; Schnetzer, Steve; Sheffield, David; Somalwar, Sunil; Stone, Robert; Thomas, Scott; Thomassen, Peter; Walker, Matthew; Rose, Keith; Spanier, Stefan; York, Andrew; Bouhali, Othmane; Castaneda Hernandez, Alfredo; Dalchenko, Mykhailo; De Mattia, Marco; Dildick, Sven; Eusebi, Ricardo; Flanagan, Will; Gilmore, Jason; Kamon, Teruki; Khotilovich, Vadim; Krutelyov, Vyacheslav; Montalvo, Roy; Osipenkov, Ilya; Pakhotin, Yuriy; Patel, Rishi; Perloff, Alexx; Roe, Jeffrey; Rose, Anthony; Safonov, Alexei; Suarez, Indara; Tatarinov, Aysen; Ulmer, Keith; Akchurin, Nural; Cowden, Christopher; Damgov, Jordan; Dragoiu, Cosmin; Dudero, Phillip Russell; Faulkner, James; Kovitanggoon, Kittikul; Kunori, Shuichi; Lee, Sung Won; Libeiro, Terence; Volobouev, Igor; Appelt, Eric; Delannoy, Andrés G; Greene, Senta; Gurrola, Alfredo; Johns, Willard; Maguire, Charles; Mao, Yaxian; Melo, Andrew; Sharma, Monika; Sheldon, Paul; Snook, Benjamin; Tuo, Shengquan; Velkovska, Julia; Arenton, Michael Wayne; Boutle, Sarah; Cox, Bradley; Francis, Brian; Goodell, Joseph; Hirosky, Robert; Ledovskoy, Alexander; Li, Hengne; Lin, Chuanzhe; Neu, Christopher; Wolfe, Evan; Wood, John; Clarke, Christopher; Harr, Robert; Karchin, Paul Edmund; Kottachchi Kankanamge Don, Chamath; Lamichhane, Pramod; Sturdy, Jared; Belknap, Donald; Carlsmith, Duncan; Cepeda, Maria; Dasu, Sridhara; Dodd, Laura; Duric, Senka; Friis, Evan; Hall-Wilton, Richard; Herndon, Matthew; Hervé, Alain; Klabbers, Pamela; Lanaro, Armando; Lazaridis, Christos; Levine, Aaron; Loveless, Richard; Mohapatra, Ajit; Ojalvo, Isabel; Perry, Thomas; Pierro, Giuseppe Antonio; Polese, Giovanni; Ross, Ian; Sarangi, Tapas; Savin, Alexander; Smith, Wesley H; Taylor, Devin; Vuosalo, Carl; Woods, Nathaniel
2015-06-09
A search for a standard model Higgs boson produced in association with a top-quark pair and decaying to bottom quarks is presented. Events with hadronic jets and one or two oppositely charged leptons are selected from a data sample corresponding to an integrated luminosity of 19.5 fb$^{-1}$ collected by the CMS experiment at the LHC in pp collisions at a centre-of-mass energy of 8 TeV. In order to separate the signal from the larger $\\mathrm{t \\bar{t}}$+jets background, this analysis uses a matrix element method that assigns a probability density value to each reconstructed event under signal or background hypotheses. The ratio between the two values is used in a maximum likelihood fit to extract the signal yield. The results are presented in terms of the measured signal strength modifier, $\\mu$, relative to the standard model prediction for a Higgs boson mass of 125 GeV. The observed (expected) exclusion limit at a 95% confidence level is $\\mu$ lower than 4.2 (3.3), corresponding to a best fit value $\\hat{\\m...
Bone Mineral 31P and Matrix-Bound Water Densities Measured by Solid-State 1H and 31P MRI
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
International Nuclear Information System (INIS)
Yamada, Susumu; Igarashi, Ryo; Machida, Masahiko; Imamura, Toshiyuki; Okumura, Masahiko; Onishi, Hiroaki
2010-01-01
We parallelize the density matrix renormalization group (DMRG) method, which is a ground-state solver for one-dimensional quantum lattice systems. The parallelization allows us to extend the applicable range of the DMRG to n-leg ladders i.e., quasi two-dimension cases. Such an extension is regarded to bring about several breakthroughs in e.g., quantum-physics, chemistry, and nano-engineering. However, the straightforward parallelization requires all-to-all communications between all processes which are unsuitable for multi-core systems, which is a mainstream of current parallel computers. Therefore, we optimize the all-to-all communications by the following two steps. The first one is the elimination of the communications between all processes by only rearranging data distribution with the communication data amount kept. The second one is the avoidance of the communication conflict by rescheduling the calculation and the communication. We evaluate the performance of the DMRG method on multi-core supercomputers and confirm that our two-steps tuning is quite effective. (author)
Energy Technology Data Exchange (ETDEWEB)
Afzali, R., E-mail: afzali@kntu.ac.ir [Department of Physics, K. N. Toosi University of Technology, Tehran, 15418 (Iran, Islamic Republic of); Ebrahimian, N., E-mail: n.ebrahimian@shahed.ac.ir [Department of Physics, Faculty of Basic Sciences, Shahed University, Tehran, 18155-159 (Iran, Islamic Republic of); Eghbalifar, B., E-mail: b.eghbali2011@yahoo.com [Department of Agricultural Management, Marvdasht Branch, Azad University, Marvdasht (Iran, Islamic Republic of)
2016-10-07
Highlights: • In contrast to a s-wave superconductor, the quantum correlation of the d-wave superconductor is sensitive to the change of the gap magnitude. • Quantum discord of the d-wave superconductor oscillates. • Quantum discord becomes zero at a characteristic length of the d-wave superconductor. • Quantum correlation strongly depends on the length of grain. Length of the superconductor lower, the quantum correlation length higher. • Quantum tripartite entanglement for a nano-scale d-wave superconductor is better than for a bulk d-wave superconductor. - Abstract: By approximating the energy gap, entering nano-size effect via gap fluctuation and calculating the Green's functions and the space-spin density matrix, the dependence of quantum correlation (entanglement, discord and tripartite entanglement) on the relative distance of two electron spins forming Cooper pairs, the energy gap and the length of bulk and nano interacting Fermi system (a nodal d-wave superconductor) is determined. In contrast to a s-wave superconductor, quantum correlation of the system is sensitive to the change of the gap magnitude and strongly depends on the length of the grain. Also, quantum discord oscillates. Furthermore, the entanglement length and the correlation length are investigated. Discord becomes zero at a characteristic length of the d-wave superconductor.
Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo
2018-01-18
The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.
Energy Technology Data Exchange (ETDEWEB)
Wald, R M [Chicago Univ., Ill. (USA). Lab. for Astrophysics and Space Research
1975-11-01
Hawking's analysis of particle creation by black holes is extended by explicity obtaining the expression for the quantum mechanical state vector PSI which results from particle creation starting from the vacuum during gravitational collapse. We first discuss the quantum field theory of a Hermitian scalar field in an external potential or in a curved but asymptotically flat spacetime with no horizon present. Making the necessary modification for the case when a horizon is present, we apply this theory for a massless Hermitian scalar field to get the state vector describing the steady state emission at late times for particle creation during gravitational collapse to a Schwarzschild black hole. We find that the state vector describing particle creation from the vacuum decomposes into a simple product of state vectors for each individual mode. The density matrix describing emission of particles to infinity by this particle creation process is found to be identical to that of black body emission. Thus, black hole emission agrees in complete detail with black body emission (orig./BJ).
International Nuclear Information System (INIS)
Mazziotti, David A.
2002-01-01
Atomic and molecular ground-state energies are variationally determined by constraining the two-particle reduced density matrix (2-RDM) to satisfy positivity conditions. Because each positivity condition corresponds to correcting the ground-state energies for a class of Hamiltonians with two-particle interactions, these conditions collectively provide a new approach to many-body theory that, unlike perturbation theory, can capture significantly correlated phenomena including the multireference effects of potential-energy surfaces. The D, Q, and G conditions for the 2-RDM are extended through generalized lifting operators inspired from the formal solution of N-representability. These lifted conditions agree with the hierarchy of positivity conditions presented by Mazziotti and Erdahl [Phys. Rev. A 63, 042113 (2001)]. The connection between positivity and the formal solution explains how constraining higher RDMs to be positive semidefinite improves the N representability of the 2-RDM and suggests using pieces of higher positivity conditions that computationally scale like the D condition. With the D, Q, and G conditions as well as pieces of higher positivity the electronic energies for Be, LiH, H 2 O, and BH are computed through a primal-dual interior-point algorithm for positive semidefinite programming. The variational method produces potential-energy surfaces that are highly accurate even far from the equilibrium geometry where single-reference perturbation-based methods often fail to produce realistic energies
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
De Nardis, J.; Caux, J.-S.
2014-01-01
We apply the logic of the quench action to give an exact analytical expression for the time evolution of the one-body density matrix after an interaction quench in the Lieb-Liniger model from the ground state of the free theory (BEC state) to the infinitely repulsive regime. In this limit there
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.
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.
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.
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.
NNLO QCD corrections to the $B\\to X_s \\gamma$ matrix elements using interpolation in $m_c$
Misiak, M; Misiak, Mikolaj; Steinhauser, Matthias
2007-01-01
One of the most troublesome contributions to the NNLO QCD corrections to B -> X_s gamma originates from three-loop matrix elements of four-quark operators. A part of this contribution that is proportional to the QCD beta-function coefficient beta_0 was found in 2003 as an expansion in m_c/m_b. In the present paper, we evaluate the asymptotic behaviour of the complete contribution for m_c >> m_b/2. The asymptotic form of the beta_0-part matches the small-m_c expansion very well at the threshold m_c = m_b/2. For the remaining part, we perform an interpolation down to the measured value of m_c, assuming that the beta_0-part is a good approximation at m_c=0. Combining our results with other contributions to the NNLO QCD corrections, we find BR(B -> X_s gamma) = (3.15 +_ 0.23) x 10^-4 for E_gamma > 1.6 GeV in the B-meson rest frame. The indicated error has been obtained by adding in quadrature the following uncertainties: non-perturbative (5%), parametric (3%), higher-order perturbative (3%), and the interpolation...
Search for rare processes with a Z+bb signature at the LHC, with the matrix element method
Beluffi, Camille; Lemaitre, Vincent
This thesis presents a detailed study of the final state with the Z boson decaying into two leptons, produced in the CMS detector at the LHC. In order to tag this topology, sophisticated b jet tagging algorithms have been used, and the calibration of one of them, the Jet Probability (JP) tagger is exposed. A study of the tagger degradation at high energy has been done and led to a small gain of performance. This investigation is followed by the search for the associated production of the standard model (SM) Higgs boson with a Z boson and decaying into two b quarks (ZH channel), using the Matrix Element Method (MEM) and two b-taggers: JP and Combined Secondary Vertex (CSV). The MEM is an advanced tool that produces an event-by-event discriminating variable, called weight. To apply it, several sets of transfer function have been produced. The final results give an observed limit on the ZH production cross section with the H → bb branching ratio of 5.46xσSM when using the CSV tagger and 4.89xσSM when using t...
Measurement of the CKM Matrix Element |V sub u sub b | with B -> rho e nu Decays
Wilden, L
2003-01-01
We present a measurement of the branching fraction for the rare decays B -> rho e nu and extract a value for the magnitude of V sub u sub b , one of the smallest elements of the Cabibbo-Kobayashi-Maskawa quark-mixing matrix. The results are given for five different calculations of form factors used to parametrize the hadronic current in semileptonic decays. Using a sample of 55 million B(bar B) meson pairs recorded with the BABAR detector at the PEP-II e sup + e sup - storage ring, we obtain BETA(B sup 0 -> rho sup - sup 1 e sup + nu) = (3.29 +- 0.42 +- 0.47 +- 0.60) x 10 sup - sup 4 and |V sub u sub b | = (3.64 +- 0.22 +- 0.25 sub - sub 0 sub . sub 5 sub 6 sup + sup 0 sup . sup 3 sup 9) x 10 sup - sup 3 , where the uncertainties are statistical, systematic, and theoretical, respectively.
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
International Nuclear Information System (INIS)
Jasielska, A.; Wiktor, S.
1977-01-01
The table of two-particle matrix elements calculated according to the formalism of MSDI approximation for the orbits 1fsub(7/2), 2psub(3/2), 2psub(1/2) and 1fsub(5/2) and published previously is now supplemented by inclusion of the 1gsub(9/2) orbit. (author)
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
Chackerian, C., Jr.
1976-01-01
The electric dipole moment function of the ground electronic state of carbon monoxide has been determined by combining numerical solutions of the radial Schrodinger equation with absolute intensity data of vibration-rotation bands. The derived dipole moment function is used to calculate matrix elements of interest to stellar astronomy and of importance in the carbon monoxide laser.
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.
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.
An Ultra-High Element Density pMUT Array with Low Crosstalk for 3-D Medical Imaging
Directory of Open Access Journals (Sweden)
Tian-Ling Ren
2013-07-01
Full Text Available A ~1 MHz piezoelectric micromachined ultrasonic transducer (pMUT array with ultra-high element density and low crosstalk is proposed for the first time. This novel pMUT array is based on a nano-layer spin-coating lead zirconium titanium film technique and can be fabricated with high element density using a relatively simple process. Accordingly, key fabrication processes such as thick piezoelectric film deposition, low-stress Si-SOI bonding and bulk silicon removal have been successfully developed. The novel fine-pitch 6 × 6 pMUT arrays can all work at the desired frequency (~1 MHz with good uniformity, high performance and potential IC integration compatibility. The minimum interspace is ~20 μm, the smallest that has ever been achieved to the best of our knowledge. These arrays can be potentially used to steer ultrasound beams and implement high quality 3-D medical imaging applications.
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.)
Post irradiation examination of HANARO nucler mini-element fuel (metallographic and density test)
International Nuclear Information System (INIS)
Yoo, Byung Ok; Hong, K. P.; Park, D. G.; Choo, Y. S.; Baik, S. J.; Kim, K. H.; Kim, H. C.; Jung, Y. H.
2001-05-01
The post irradiation examination of a HANARO mini-element nuclear fuel, KH96C-004, was done in June 6, 2000. The purpose of this project is to evaluate the in-core performance and reliability of mini-element nuclear fuel for HANARO developed by the project T he Nuclear Fuel Material Development of Research Reactor . And, in order to examine the performance of mini-element nuclear fuel in normal output condition, the post irradiation examination of a nuclear fuel bundle composed by 6 mini nuclear fuel rods and 12 dummy fuel rods was performed. Based on these examination results, the safety and reliability of HANARO fuel and the basic data on the design of HANARO nuclear fuel can be ensured and obtained,