Communication: A simplified coupled-cluster Lagrangian for polarizable embedding.

Science.gov (United States)

Krause, Katharina; Klopper, Wim

2016-01-28

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian.

Communication: A simplified coupled-cluster Lagrangian for polarizable embedding

International Nuclear Information System (INIS)

Krause, Katharina; Klopper, Wim

2016-01-01

A simplified coupled-cluster Lagrangian, which is linear in the Lagrangian multipliers, is proposed for the coupled-cluster treatment of a quantum mechanical system in a polarizable environment. In the simplified approach, the amplitude equations are decoupled from the Lagrangian multipliers and the energy obtained from the projected coupled-cluster equation corresponds to a stationary point of the Lagrangian

Quadratically convergent MCSCF scheme using Fock operators

International Nuclear Information System (INIS)

Das, G.

1981-01-01

A quadratically convergent formulation of the MCSCF method using Fock operators is presented. Among its advantages the present formulation is quadratically convergent unlike the earlier ones based on Fock operators. In contrast to other quadratically convergent schemes as well as the one based on generalized Brillouin's theorem, this method leads easily to a hybrid scheme where the weakly coupled orbitals (such as the core) are handled purely by Fock equations, while the rest of the orbitals are treated by a quadratically convergent approach with a truncated virtual space obtained by the use of the corresponding Fock equations

Antiferromagnetic exchange coupling measurements on single Co clusters

Science.gov (United States)

Wernsdorfer, W.; Leroy, D.; Portemont, C.; Brenac, A.; Morel, R.; Notin, L.; Mailly, D.

2009-03-01

We report on single-cluster measurements of the angular dependence of the low-temperature ferromagnetic core magnetization switching field in exchange-coupled Co/CoO core-shell clusters (4 nm) using a micro-bridge DC superconducting quantum interference device (μ-SQUID). It is observed that the coupling with the antiferromagnetic shell induces modification in the switching field for clusters with intrinsic uniaxial anisotropy depending on the direction of the magnetic field applied during the cooling. Using a modified Stoner-Wohlfarth model, it is shown that the core interacts with two weakly coupled and asymmetrical antiferromagnetic sublattices. Ref.: C. Portemont, R. Morel, W. Wernsdorfer, D. Mailly, A. Brenac, and L. Notin, Phys. Rev. B 78, 144415 (2008)

BCS superconductivity for weakly coupled clusters

International Nuclear Information System (INIS)

Friedel, J.

1992-01-01

BCS superconductivity is expected to have fairly high critical temperatures when clusters of moderate sizes are weakly coupled to form a crystal. This remark extends to quasi zerodimensional cases, a remark initially made by Labbe for quasi one-dimensional ones and by Hirsch, Bok and Labbe for quasi twodimensional ones. Possible applications are envisaged for twodimensional clusters (fullerene) or threedimensional ones (metal clusters, Chevrel phases). Conditions for optimal applicability of the scheme are somewhat restricted. (orig.)

Predictive coupled-cluster isomer orderings for some SinCm (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

International Nuclear Information System (INIS)

Byrd, Jason N.; Lutz, Jesse J.; Jin, Yifan; Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.; Montgomery, John A.; Duan, Xiaofeng F.; Burggraf, Larry W.; Sanders, Beverly A.

2016-01-01

The accurate determination of the preferred Si 12 C 12 isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly efficient exciton materials for the opto-electronic devices. In order to definitively identify preferred isomeric structures for silicon carbon nano-clusters, highly accurate geometries, energies, and harmonic zero point energies have been computed using coupled-cluster theory with systematic extrapolation to the complete basis limit for set of silicon carbon clusters ranging in size from SiC 3 to Si 12 C 12 . It is found that post-MBPT(2) correlation energy plays a significant role in obtaining converged relative isomer energies, suggesting that predictions using low rung density functional methods will not have adequate accuracy. Utilizing the best composite coupled-cluster energy that is still computationally feasible, entailing a 3-4 SCF and coupled-cluster theory with singles and doubles extrapolation with triple-ζ (T) correlation, the closo Si 12 C 12 isomer is identified to be the preferred isomer in the support of previous calculations [X. F. Duan and L. W. Burggraf, J. Chem. Phys. 142, 034303 (2015)]. Additionally we have investigated more pragmatic approaches to obtaining accurate silicon carbide isomer energies, including the use of frozen natural orbital coupled-cluster theory and several rungs of standard and double-hybrid density functional theory. Frozen natural orbitals as a way to compute post-MBPT(2) correlation energy are found to be an excellent balance between efficiency and accuracy.

Delay-induced cluster patterns in coupled Cayley tree networks

Science.gov (United States)

Singh, A.; Jalan, S.

2013-07-01

We study effects of delay in diffusively coupled logistic maps on the Cayley tree networks. We find that smaller coupling values exhibit sensitiveness to value of delay, and lead to different cluster patterns of self-organized and driven types. Whereas larger coupling strengths exhibit robustness against change in delay values, and lead to stable driven clusters comprising nodes from last generation of the Cayley tree. Furthermore, introduction of delay exhibits suppression as well as enhancement of synchronization depending upon coupling strength values. To the end we discuss the importance of results to understand conflicts and cooperations observed in family business.

Quadratic Functionals with General Boundary Conditions

International Nuclear Information System (INIS)

Dosla, Z.; Dosly, O.

1997-01-01

The purpose of this paper is to give the Reid 'Roundabout Theorem' for quadratic functionals with general boundary conditions. In particular, we describe the so-called coupled point and regularity condition introduced in terms of Riccati equation solutions

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

Science.gov (United States)

Bozkaya, Uǧur; Turney, Justin M.; Yamaguchi, Yukio; Schaefer, Henry F.; Sherrill, C. David

2011-09-01

Using a Lagrangian-based approach, we present a more elegant derivation of the equations necessary for the variational optimization of the molecular orbitals (MOs) for the coupled-cluster doubles (CCD) method and second-order Møller-Plesset perturbation theory (MP2). These orbital-optimized theories are referred to as OO-CCD and OO-MP2 (or simply "OD" and "OMP2" for short), respectively. We also present an improved algorithm for orbital optimization in these methods. Explicit equations for response density matrices, the MO gradient, and the MO Hessian are reported both in spin-orbital and closed-shell spin-adapted forms. The Newton-Raphson algorithm is used for the optimization procedure using the MO gradient and Hessian. Further, orbital stability analyses are also carried out at correlated levels. The OD and OMP2 approaches are compared with the standard MP2, CCD, CCSD, and CCSD(T) methods. All these methods are applied to H2O, three diatomics, and the O_4^+ molecule. Results demonstrate that the CCSD and OD methods give nearly identical results for H2O and diatomics; however, in symmetry-breaking problems as exemplified by O_4^+, the OD method provides better results for vibrational frequencies. The OD method has further advantages over CCSD: its analytic gradients are easier to compute since there is no need to solve the coupled-perturbed equations for the orbital response, the computation of one-electron properties are easier because there is no response contribution to the particle density matrices, the variational optimized orbitals can be readily extended to allow inactive orbitals, it avoids spurious second-order poles in its response function, and its transition dipole moments are gauge invariant. The OMP2 has these same advantages over canonical MP2, making it promising for excited state properties via linear response theory. The quadratically convergent orbital-optimization procedure converges quickly for OMP2, and provides molecular properties that

Indirect quantum tomography of quadratic Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

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

2011-01-15

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

Equation-of-motion coupled cluster perturbation theory revisited

DEFF Research Database (Denmark)

Eriksen, Janus Juul; Jørgensen, Poul; Olsen, Jeppe

2014-01-01

The equation-of-motion coupled cluster (EOM-CC) framework has been used for deriving a novel series of perturbative corrections to the coupled cluster singles and doubles energy that formally con- verges towards the full configuration interaction energy limit. The series is based on a Møller-Ples......-Plesset partitioning of the Hamiltonian and thus size extensive at any order in the perturbation, thereby rem- edying the major deficiency inherent to previous perturbation series based on the EOM-CC ansatz. © 2014 AIP Publishing LLC. [http://dx.doi.org/10.1063/1.4873138]...

Emergent organization of oscillator clusters in coupled self ...

Indian Academy of Sciences (India)

Additionally, the maps are coupled sequentially and unidirectionally, to their nearest neighbor, through the difference of their parametric variations. Interestingly we find that this model asymptotically yields clusters of superstable oscillators with different periods. We observe that the sizes of these oscillator clusters have a ...

Predictive coupled-cluster isomer orderings for some Si{sub n}C{sub m} (m, n ≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

Energy Technology Data Exchange (ETDEWEB)

Byrd, Jason N., E-mail: byrd.jason@ensco.com [Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States); ENSCO, Inc., 4849 North Wickham Road, Melbourne, Florida 32940 (United States); Lutz, Jesse J., E-mail: jesse.lutz.ctr@afit.edu; Jin, Yifan; Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J., E-mail: rodbartl@ufl.edu [Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States); Montgomery, John A. [Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States); Duan, Xiaofeng F. [Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433 (United States); Air Force Research Laboratory DoD Supercomputing Resource Center, Wright-Patterson Air Force Base, Ohio 45433 (United States); Burggraf, Larry W. [Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433 (United States); Sanders, Beverly A. [Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States); Department of Computer and Information Science and Engineering, University of Florida, Gainesville, Florida 32611 (United States)

2016-07-14

The accurate determination of the preferred Si{sub 12}C{sub 12} isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly efficient exciton materials for the opto-electronic devices. In order to definitively identify preferred isomeric structures for silicon carbon nano-clusters, highly accurate geometries, energies, and harmonic zero point energies have been computed using coupled-cluster theory with systematic extrapolation to the complete basis limit for set of silicon carbon clusters ranging in size from SiC{sub 3} to Si{sub 12}C{sub 12}. It is found that post-MBPT(2) correlation energy plays a significant role in obtaining converged relative isomer energies, suggesting that predictions using low rung density functional methods will not have adequate accuracy. Utilizing the best composite coupled-cluster energy that is still computationally feasible, entailing a 3-4 SCF and coupled-cluster theory with singles and doubles extrapolation with triple-ζ (T) correlation, the closo Si{sub 12}C{sub 12} isomer is identified to be the preferred isomer in the support of previous calculations [X. F. Duan and L. W. Burggraf, J. Chem. Phys. 142, 034303 (2015)]. Additionally we have investigated more pragmatic approaches to obtaining accurate silicon carbide isomer energies, including the use of frozen natural orbital coupled-cluster theory and several rungs of standard and double-hybrid density functional theory. Frozen natural orbitals as a way to compute post-MBPT(2) correlation energy are found to be an excellent balance between efficiency and accuracy.

Coupled Cluster Theory for Large Molecules

DEFF Research Database (Denmark)

Baudin, Pablo

This thesis describes the development of local approximations to coupled cluster (CC) theory for large molecules. Two different methods are presented, the divide–expand–consolidate scheme (DEC), for the calculation of ground state energies, and a local framework denoted LoFEx, for the calculation...

The polarizable embedding coupled cluster method

DEFF Research Database (Denmark)

Sneskov, Kristian; Schwabe, Tobias; Kongsted, Jacob

2011-01-01

We formulate a new combined quantum mechanics/molecular mechanics (QM/MM) method based on a self-consistent polarizable embedding (PE) scheme. For the description of the QM region, we apply the popular coupled cluster (CC) method detailing the inclusion of electrostatic and polarization effects...

A coupled-cluster study of photodetachment cross sections of closed-shell anions

Science.gov (United States)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Seniority zero pair coupled cluster doubles theory

International Nuclear Information System (INIS)

Stein, Tamar; Henderson, Thomas M.; Scuseria, Gustavo E.

2014-01-01

Coupled cluster theory with single and double excitations accurately describes weak electron correlation but is known to fail in cases of strong static correlation. Fascinatingly, however, pair coupled cluster doubles (p-CCD), a simplified version of the theory limited to pair excitations that preserve the seniority of the reference determinant (i.e., the number of unpaired electrons), has mean field computational cost and is an excellent approximation to the full configuration interaction (FCI) of the paired space provided that the orbital basis defining the pairing scheme is adequately optimized. In previous work, we have shown that optimization of the pairing scheme in the seniority zero FCI leads to a very accurate description of static correlation. The same conclusion extends to p-CCD if the orbitals are optimized to make the p-CCD energy stationary. We here demonstrate these results with numerous examples. We also explore the contributions of different seniority sectors to the coupled cluster doubles (CCD) correlation energy using different orbital bases. We consider both Hartree-Fock and Brueckner orbitals, and the role of orbital localization. We show how one can pair the orbitals so that the role of the Brueckner orbitals at the CCD level is retained at the p-CCD level. Moreover, we explore ways of extending CCD to accurately describe strongly correlated systems

A coupled-cluster study of photodetachment cross sections of closed-shell anions

International Nuclear Information System (INIS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-01-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H − , Li − , Na − , F − , Cl − , and OH − . The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species

One- and two-cluster synchronized dynamics of non-diffusively coupled Tchebycheff map networks

International Nuclear Information System (INIS)

Schäfer, Mirko; Greiner, Martin

2012-01-01

We use the master stability formalism to discuss one- and two-cluster synchronization of coupled Tchebycheff map networks. For diffusively coupled map systems, the one-cluster synchronized dynamics is given by the behaviour of the individual maps, and the coupling only determines the stability of the coherent state. For the case of non-diffusive coupling and for two-cluster synchronization, the synchronized dynamics on networks is different from the behaviour of the single individual map. Depending on the coupling, we study numerically the characteristics of various forms of the resulting synchronized dynamics. The stability properties of the respective one-cluster synchronized states are discussed for arbitrary network structures. For the case of two-cluster synchronization on bipartite networks we also present analytical expressions for fixed points and zig-zag patterns, and explicitly determine the linear stability of these orbits for the special case of ring-networks.

Binary classification posed as a quadratically constrained quadratic ...

Indian Academy of Sciences (India)

Binary classification is posed as a quadratically constrained quadratic problem and solved using the proposed method. Each class in the binary classification problem is modeled as a multidimensional ellipsoid to forma quadratic constraint in the problem. Particle swarms help in determining the optimal hyperplane or ...

A coupled-cluster study of photodetachment cross sections of closed-shell anions

Energy Technology Data Exchange (ETDEWEB)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia, E-mail: coriani@units.it [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, via L. Giorgieri 1, I-34127, Trieste (Italy)

2014-11-07

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H{sup −}, Li{sup −}, Na{sup −}, F{sup −}, Cl{sup −}, and OH{sup −}. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Noise-induced synchronization, desynchronization, and clustering in globally coupled nonidentical oscillators

KAUST Repository

Lai, Yi Ming

2013-07-09

We study ensembles of globally coupled, nonidentical phase oscillators subject to correlated noise, and we identify several important factors that cause noise and coupling to synchronize or desynchronize a system. By introducing noise in various ways, we find an estimate for the onset of synchrony of a system in terms of the coupling strength, noise strength, and width of the frequency distribution of its natural oscillations. We also demonstrate that noise alone can be sufficient to synchronize nonidentical oscillators. However, this synchrony depends on the first Fourier mode of a phase-sensitivity function, through which we introduce common noise into the system. We show that higher Fourier modes can cause desynchronization due to clustering effects, and that this can reinforce clustering caused by different forms of coupling. Finally, we discuss the effects of noise on an ensemble in which antiferromagnetic coupling causes oscillators to form two clusters in the absence of noise. © 2013 American Physical Society.

Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level

DEFF Research Database (Denmark)

Zoccante, Alberto; Seidler, Peter; Christiansen, Ove

2011-01-01

In this work we show how the vibrational coupled-cluster method at the two-mode coupling level can be used to calculate zero-point vibrational averages of properties. A technique is presented, where any expectation value can be calculated using a single set of Lagrangian multipliers computed...

Phase correlation and clustering of a nearest neighbour coupled oscillators system

CERN Document Server

Ei-Nashar, H F

2002-01-01

We investigated the phases in a system of nearest neighbour coupled oscillators before complete synchronization in frequency occurs. We found that when oscillators under the influence of coupling form a cluster of the same time-average frequency, their phases start to correlate. An order parameter, which measures this correlation, starts to grow at this stage until it reaches maximum. This means that a time-average phase locked state is reached between the oscillators inside the cluster of the same time- average frequency. At this strength the cluster attracts individual oscillators or a cluster to join in. We also observe that clustering in averaged frequencies orders the phases of the oscillators. This behavior is found at all the transition points studied.

Phase correlation and clustering of a nearest neighbour coupled oscillators system

International Nuclear Information System (INIS)

EI-Nashar, Hassan F.

2002-09-01

We investigated the phases in a system of nearest neighbour coupled oscillators before complete synchronization in frequency occurs. We found that when oscillators under the influence of coupling form a cluster of the same time-average frequency, their phases start to correlate. An order parameter, which measures this correlation, starts to grow at this stage until it reaches maximum. This means that a time-average phase locked state is reached between the oscillators inside the cluster of the same time- average frequency. At this strength the cluster attracts individual oscillators or a cluster to join in. We also observe that clustering in averaged frequencies orders the phases of the oscillators. This behavior is found at all the transition points studied. (author)

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

Science.gov (United States)

Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

2013-09-01

A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H2, H2O, NH3, HF, CO, and CO2.

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

International Nuclear Information System (INIS)

Cukras, Janusz; Coriani, Sonia; Decleva, Piero; Christiansen, Ove; Norman, Patrick

2013-01-01

A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H 2 , H 2 O, NH 3 , HF, CO, and CO 2

Exponential quadratic operators and evolution of bosonic systems coupled to a heat bath

International Nuclear Information System (INIS)

Ni Xiaotong; Liu Yuxi; Kwek, L. C.; Wang Xiangbin

2010-01-01

Using exponential quadratic operators, we present a general framework for studying the exact dynamics of system-bath interaction in which the Hamiltonian is described by the quadratic form of bosonic operators. To demonstrate the versatility of the approach, we study how the environment affects the squeezing of quadrature components of the system. We further propose that the squeezing can be enhanced when parity kicks are applied to the system.

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra

Energy Technology Data Exchange (ETDEWEB)

Cukras, Janusz; Coriani, Sonia; Decleva, Piero [Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, via L. Giorgieri 1, I-34127 Trieste (Italy); Christiansen, Ove [Department of Chemistry, Aarhus University, DK-8000 Aarhus C (Denmark); Norman, Patrick [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping (Sweden)

2013-09-07

A recently implemented asymmetric Lanczos algorithm for computing (complex) linear response functions within the coupled cluster singles (CCS), coupled cluster singles and iterative approximate doubles (CC2), and coupled cluster singles and doubles (CCSD) is coupled to a Stieltjes imaging technique in order to describe the photoionization cross section of atoms and molecules, in the spirit of a similar procedure recently proposed by Averbukh and co-workers within the Algebraic Diagrammatic Construction approach. Pilot results are reported for the atoms He, Ne, and Ar and for the molecules H{sub 2}, H{sub 2}O, NH{sub 3}, HF, CO, and CO{sub 2}.

A quasiparticle-based multi-reference coupled-cluster method.

Science.gov (United States)

Rolik, Zoltán; Kállay, Mihály

2014-10-07

The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.

Large N saddle formulation of quadratic building block theories

International Nuclear Information System (INIS)

Halpern, M.B.

1980-01-01

I develop a large N saddle point formulation for the broad class of 'theories of quadratic building blocks'. Such theories are those on which the sums over internal indices are contained in quadratic building blocks, e.g. PHI 2 = Σsup(N)sub(a-1)PHi sup(a)sup(a). The formulation applies as well to fermions, derivative coupling and non-polynomial interactions. In a related development, closed Schwinger-Dyson equations for Green functions of the building blocks are derived and solved for large N. (orig.)

Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation

International Nuclear Information System (INIS)

Neuscamman, Eric

2013-01-01

We present a Jastrow-factor-inspired variant of coupled cluster theory that accurately describes both weak and strong electron correlation. Compatibility with quantum Monte Carlo allows for variational energy evaluations and an antisymmetric geminal power reference, two features not present in traditional coupled cluster that facilitate a nearly exact description of the strong electron correlations in minimal-basis N 2 bond breaking. In double-ζ treatments of the HF and H 2 O bond dissociations, where both weak and strong correlations are important, this polynomial cost method proves more accurate than either traditional coupled cluster or complete active space perturbation theory. These preliminary successes suggest a deep connection between the ways in which cluster operators and Jastrow factors encode correlation

Hidden conic quadratic representation of some nonconvex quadratic optimization problems

NARCIS (Netherlands)

Ben-Tal, A.; den Hertog, D.

The problem of minimizing a quadratic objective function subject to one or two quadratic constraints is known to have a hidden convexity property, even when the quadratic forms are indefinite. The equivalent convex problem is a semidefinite one, and the equivalence is based on the celebrated

Application of Bibliographic Coupling versus Cited Titles Words in Patent Fuzzy Clustering

Directory of Open Access Journals (Sweden)

Anahita Kermani

2013-03-01

Full Text Available Attribute selection is one of the steps before patent clustering. Various attributes can be used for clustering. In this study, the effect of using citation and citation title words, respectively, in form of bibliographic coupling and citation title words sharing, were measured and compared with each other, as patent attributes. This study was done in an experimental method, on a collection of 717 US Patent cited in the patents belong to 977/774 subclass of US Patent Classification. Fuzzy C-means was used for patent clustering and extended BCubed precision and extended BCubed recall were used as evaluation measure. The results showed that the clustering produced by bibliographic coupling had better performance than clustering used citation title words and existence of cluster structure were in a wider range of exhaustivity than citation title words.

Phase models and clustering in networks of oscillators with delayed coupling

Science.gov (United States)

Campbell, Sue Ann; Wang, Zhen

2018-01-01

We consider a general model for a network of oscillators with time delayed coupling where the coupling matrix is circulant. We use the theory of weakly coupled oscillators to reduce the system of delay differential equations to a phase model where the time delay enters as a phase shift. We use the phase model to determine model independent existence and stability results for symmetric cluster solutions. Our results extend previous work to systems with time delay and a more general coupling matrix. We show that the presence of the time delay can lead to the coexistence of multiple stable clustering solutions. We apply our analytical results to a network of Morris Lecar neurons and compare these results with numerical continuation and simulation studies.

Time-dependent risks of cancer clustering among couples: a nationwide population-based cohort study in Taiwan.

Science.gov (United States)

Wang, Jong-Yi; Liang, Yia-Wen; Yeh, Chun-Chen; Liu, Chiu-Shong; Wang, Chen-Yu

2018-02-21

Spousal clustering of cancer warrants attention. Whether the common environment or high-age vulnerability determines cancer clustering is unclear. The risk of clustering in couples versus non-couples is undetermined. The time to cancer clustering after the first cancer diagnosis is yet to be reported. This study investigated cancer clustering over time among couples by using nationwide data. A cohort of 5643 married couples in the 2002-2013 Taiwan National Health Insurance Research Database was identified and randomly matched with 5643 non-couple pairs through dual propensity score matching. Factors associated with clustering (both spouses with tumours) were analysed by using the Cox proportional hazard model. Propensity-matched analysis revealed that the risk of clustering of all tumours among couples (13.70%) was significantly higher than that among non-couples (11.84%) (OR=1.182, 95% CI 1.058 to 1.321, P=0.0031). The median time to clustering of all tumours and of malignant tumours was 2.92 and 2.32 years, respectively. Risk characteristics associated with clustering included high age and comorbidity. Shared environmental factors among spouses might be linked to a high incidence of cancer clustering. Cancer incidence in one spouse may signal cancer vulnerability in the other spouse. Promoting family-oriented cancer care in vulnerable families and preventing shared lifestyle risk factors for cancer are suggested. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Dynamic interaction of monowheel inclined vehicle-vibration platform coupled system with quadratic and cubic nonlinearities

Science.gov (United States)

Zhou, Shihua; Song, Guiqiu; Sun, Maojun; Ren, Zhaohui; Wen, Bangchun

2018-01-01

In order to analyze the nonlinear dynamics and stability of a novel design for the monowheel inclined vehicle-vibration platform coupled system (MIV-VPCS) with intermediate nonlinearity support subjected to a harmonic excitation, a multi-degree of freedom lumped parameter dynamic model taking into account the dynamic interaction of the MIV-VPCS with quadratic and cubic nonlinearities is presented. The dynamical equations of the coupled system are derived by applying the displacement relationship, interaction force relationship at the contact position and Lagrange's equation, which are further discretized into a set of nonlinear ordinary differential equations with coupled terms by Galerkin's truncation. Based on the mathematical model, the coupled multi-body nonlinear dynamics of the vibration system is investigated by numerical method, and the parameters influences of excitation amplitude, mass ratio and inclined angle on the dynamic characteristics are precisely analyzed and discussed by bifurcation diagram, Largest Lyapunov exponent and 3-D frequency spectrum. Depending on different ranges of system parameters, the results show that the different motions and jump discontinuity appear, and the coupled system enters into chaotic behavior through different routes (period-doubling bifurcation, inverse period-doubling bifurcation, saddle-node bifurcation and Hopf bifurcation), which are strongly attributed to the dynamic interaction of the MIV-VPCS. The decreasing excitation amplitude and inclined angle could reduce the higher order bifurcations, and effectively control the complicated nonlinear dynamic behaviors under the perturbation of low rotational speed. The first bifurcation and chaotic motion occur at lower value of inclined angle, and the chaotic behavior lasts for larger intervals with higher rotational speed. The investigation results could provide a better understanding of the nonlinear dynamic behaviors for the dynamic interaction of the MIV-VPCS.

Cluster synchronization in community network with hybrid coupling

International Nuclear Information System (INIS)

Yang, Lixin; Jiang, Jun; Liu, Xiaojun

2016-01-01

Highlights: • A community network model with hybrid coupling is proposed. • Control scheme is designed via combining adaptive external coupling strength and feedback control. • The influence of topology structure on synchronization of community network is discussed. - Abstract: A general model of community network with hybrid coupling is proposed in this paper. In the community network model with hybrid coupling, the inner connections are in the same type of coupling within the same community and in different types of coupling in different communities. The connections between different pair of communities are also nonidentical. Cluster synchronization of community network with hybrid coupling is investigated via adaptive couplings control scheme. Effective controllers are designed for constructing an effective control scheme and adjusting automatically the adaptive external coupling strength by taking external coupling strength as adaptive variables on a small fraction of network edges. Moreover, the impact of the topology on the synchronizability of community network is investigated. The numerical results reveal that the number of links between communities and the degree of the connector nodes have significant effects on the synchronization performance.

Competition between Chaotic and Nonchaotic Phases in a Quadratically Coupled Sachdev-Ye-Kitaev Model.

Science.gov (United States)

Chen, Xin; Fan, Ruihua; Chen, Yiming; Zhai, Hui; Zhang, Pengfei

2017-11-17

The Sachdev-Ye-Kitaev (SYK) model is a concrete solvable model to study non-Fermi liquid properties, holographic duality, and maximally chaotic behavior. In this work, we consider a generalization of the SYK model that contains two SYK models with a different number of Majorana modes coupled by quadratic terms. This model is also solvable, and the solution shows a zero-temperature quantum phase transition between two non-Fermi liquid chaotic phases. This phase transition is driven by tuning the ratio of two mode numbers, and a nonchaotic Fermi liquid sits at the critical point with an equal number of modes. At a finite temperature, the Fermi liquid phase expands to a finite regime. More intriguingly, a different non-Fermi liquid phase emerges at a finite temperature. We characterize the phase diagram in terms of the spectral function, the Lyapunov exponent, and the entropy. Our results illustrate a concrete example of the quantum phase transition and critical behavior between two non-Fermi liquid phases.

The quadratic-form identity for constructing Hamiltonian structures of the NLS-MKdV hierarchy and multi-component Levi hierarchy

International Nuclear Information System (INIS)

Dong Huanhe; Wang Xiangrong

2008-01-01

The trace identity is extended to the quadratic-form identity. The Hamiltonian structures of the NLS-MKdV hierarchy, and integrable coupling of multi-component Levi hierarchy are obtained by the quadratic-form identity. The method can be used to produce the Hamiltonian structures of the other integrable couplings or multi-component hierarchies

Synchronization as Aggregation: Cluster Kinetics of Pulse-Coupled Oscillators.

Science.gov (United States)

O'Keeffe, Kevin P; Krapivsky, P L; Strogatz, Steven H

2015-08-07

We consider models of identical pulse-coupled oscillators with global interactions. Previous work showed that under certain conditions such systems always end up in sync, but did not quantify how small clusters of synchronized oscillators progressively coalesce into larger ones. Using tools from the study of aggregation phenomena, we obtain exact results for the time-dependent distribution of cluster sizes as the system evolves from disorder to synchrony.

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

Energy Technology Data Exchange (ETDEWEB)

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

2018-01-03

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

Comparison of Cluster C personality disorders in couples with ...

African Journals Online (AJOL)

Comparison of Cluster C personality disorders in couples with normal divorce. ... Also purposeful sampling was used to select individuals. ... that the personality disorder group C, there is no significant difference between men and women.

Self-Replicating Quadratics

Science.gov (United States)

Withers, Christopher S.; Nadarajah, Saralees

2012-01-01

We show that there are exactly four quadratic polynomials, Q(x) = x [superscript 2] + ax + b, such that (x[superscript 2] + ax + b) (x[superscript 2] - ax + b) = (x[superscript 4] + ax[superscript 2] + b). For n = 1, 2, ..., these quadratic polynomials can be written as the product of N = 2[superscript n] quadratic polynomials in x[superscript…

Correlation effects beyond coupled cluster singles and doubles approximation through Fock matrix dressing.

Science.gov (United States)

Maitra, Rahul; Nakajima, Takahito

2017-11-28

We present an accurate single reference coupled cluster theory in which the conventional Fock operator matrix is suitably dressed to simulate the effect of triple and higher excitations within a singles and doubles framework. The dressing thus invoked originates from a second-order perturbative approximation of a similarity transformed Hamiltonian and induces higher rank excitations through local renormalization of individual occupied and unoccupied orbital lines. Such a dressing is able to recover a significant amount of correlation effects beyond singles and doubles approximation, but only with an economic n 5 additional cost. Due to the inclusion of higher rank excitations via the Fock matrix dressing, this method is a natural improvement over conventional coupled cluster theory with singles and doubles approximation, and this method would be demonstrated via applications on some challenging systems. This highly promising scheme has a conceptually simple structure which is also easily generalizable to a multi-reference coupled cluster scheme for treating strong degeneracy. We shall demonstrate that this method is a natural lowest order perturbative approximation to the recently developed iterative n-body excitation inclusive coupled cluster singles and doubles scheme [R. Maitra et al., J. Chem. Phys. 147, 074103 (2017)].

Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics

Science.gov (United States)

Sato, Takeshi; Pathak, Himadri; Orimo, Yuki; Ishikawa, Kenichi L.

2018-02-01

Time-dependent coupled-cluster method with time-varying orbital functions, called time-dependent optimized coupled-cluster (TD-OCC) method, is formulated for multielectron dynamics in an intense laser field. We have successfully derived the equations of motion for CC amplitudes and orthonormal orbital functions based on the real action functional, and implemented the method including double excitations (TD-OCCD) and double and triple excitations (TD-OCCDT) within the optimized active orbitals. The present method is size extensive and gauge invariant, a polynomial cost-scaling alternative to the time-dependent multiconfiguration self-consistent-field method. The first application of the TD-OCC method of intense-laser driven correlated electron dynamics in Ar atom is reported.

Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

Science.gov (United States)

Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

2017-06-01

The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

Consensus of satellite cluster flight using an energy-matching optimal control method

Science.gov (United States)

Luo, Jianjun; Zhou, Liang; Zhang, Bo

2017-11-01

This paper presents an optimal control method for consensus of satellite cluster flight under a kind of energy matching condition. Firstly, the relation between energy matching and satellite periodically bounded relative motion is analyzed, and the satellite energy matching principle is applied to configure the initial conditions. Then, period-delayed errors are adopted as state variables to establish the period-delayed errors dynamics models of a single satellite and the cluster. Next a novel satellite cluster feedback control protocol with coupling gain is designed, so that the satellite cluster periodically bounded relative motion consensus problem (period-delayed errors state consensus problem) is transformed to the stability of a set of matrices with the same low dimension. Based on the consensus region theory in the research of multi-agent system consensus issues, the coupling gain can be obtained to satisfy the requirement of consensus region and decouple the satellite cluster information topology and the feedback control gain matrix, which can be determined by Linear quadratic regulator (LQR) optimal method. This method can realize the consensus of satellite cluster period-delayed errors, leading to the consistency of semi-major axes (SMA) and the energy-matching of satellite cluster. Then satellites can emerge the global coordinative cluster behavior. Finally the feasibility and effectiveness of the present energy-matching optimal consensus for satellite cluster flight is verified through numerical simulations.

A Sequential Quadratically Constrained Quadratic Programming Method of Feasible Directions

International Nuclear Information System (INIS)

Jian Jinbao; Hu Qingjie; Tang Chunming; Zheng Haiyan

2007-01-01

In this paper, a sequential quadratically constrained quadratic programming method of feasible directions is proposed for the optimization problems with nonlinear inequality constraints. At each iteration of the proposed algorithm, a feasible direction of descent is obtained by solving only one subproblem which consist of a convex quadratic objective function and simple quadratic inequality constraints without the second derivatives of the functions of the discussed problems, and such a subproblem can be formulated as a second-order cone programming which can be solved by interior point methods. To overcome the Maratos effect, an efficient higher-order correction direction is obtained by only one explicit computation formula. The algorithm is proved to be globally convergent and superlinearly convergent under some mild conditions without the strict complementarity. Finally, some preliminary numerical results are reported

Quadratic Damping

Science.gov (United States)

Fay, Temple H.

2012-01-01

Quadratic friction involves a discontinuous damping term in equations of motion in order that the frictional force always opposes the direction of the motion. Perhaps for this reason this topic is usually omitted from beginning texts in differential equations and physics. However, quadratic damping is more realistic than viscous damping in many…

Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

Science.gov (United States)

Wladyslawski, Mark; Nooijen, Marcel

The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit

Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei

International Nuclear Information System (INIS)

Horoi, M.; Gour, J. R.; Wloch, M.; Lodriguito, M. D.; Brown, B. A.; Piecuch, P.

2007-01-01

We compare coupled-cluster (CC) and configuration-interaction (CI) results for 56 Ni obtained in the pf-shell basis, focusing on practical CC approximations that can be applied to systems with dozens or hundreds of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f 7/2 orbit and the f 5/2 , p 3/2 , p 1/2 orbits. Independent of the gap, the CC method with 1p-1h and 2p-2h clusters and a noniterative treatment of 3p-3h clusters is as accurate as the more demanding CI approach truncated at the 4p-4h level

Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory.

Science.gov (United States)

Myhre, Rolf H; Coriani, Sonia; Koch, Henrik

2016-06-14

Core excited states are challenging to calculate, mainly because they are embedded in a manifold of high-energy valence-excited states. However, their locality makes their determination ideal for local correlation methods. In this paper, we demonstrate the performance of multilevel coupled cluster theory in computing core spectra both within the core-valence separated and the asymmetric Lanczos implementations of coupled cluster linear response theory. We also propose a visualization tool to analyze the excitations using the difference between the ground-state and excited-state electron densities.

Quadratic soliton self-reflection at a quadratically nonlinear interface

Science.gov (United States)

Jankovic, Ladislav; Kim, Hongki; Stegeman, George; Carrasco, Silvia; Torner, Lluis; Katz, Mordechai

2003-11-01

The reflection of bulk quadratic solutions incident onto a quadratically nonlinear interface in periodically poled potassium titanyl phosphate was observed. The interface consisted of the boundary between two quasi-phase-matched regions displaced from each other by a half-period. At high intensities and small angles of incidence the soliton is reflected.

Communication: Biological applications of coupled-cluster frozen-density embedding

Science.gov (United States)

Heuser, Johannes; Höfener, Sebastian

2018-04-01

We report the implementation of the Laplace-transform scaled opposite-spin (LT-SOS) resolution-of-the-identity second-order approximate coupled-cluster singles and doubles (RICC2) combined with frozen-density embedding for excitation energies and molecular properties. In the present work, we furthermore employ the Hartree-Fock density for the interaction energy leading to a simplified Lagrangian which is linear in the Lagrangian multipliers. This approximation has the key advantage of a decoupling of the coupled-cluster amplitude and multipliers, leading also to a significant reduction in computation time. Using the new simplified Lagrangian in combination with efficient wavefunction models such as RICC2 or LT-SOS-RICC2 and density-functional theory (DFT) for the environment molecules (CC2-in-DFT) enables the efficient study of biological applications such as the rhodopsin and visual cone pigments using ab initio methods as routine applications.

Recent advances in coupled-cluster methods

CERN Document Server

Bartlett, Rodney J

1997-01-01

Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for the correlation problem in molecules. Furthermore, the correct scaling of the energy and wavefunction with size (i.e. extensivity) recommends it for studies of polymers and crystals as well as molecules. CC methods have also paid dividends for nuclei, and for certain strongly correlated systems of interest in field theory.In order for CC methods to have achieved this distinction, it has been necessary to formulate new, theoretical approaches for the treatment of a variety of essential quantities

Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

Science.gov (United States)

Black, Joshua A.; Knowles, Peter J.

2018-06-01

The performance of quasi-variational coupled-cluster (QV) theory applied to the calculation of activation and reaction energies has been investigated. A statistical analysis of results obtained for six different sets of reactions has been carried out, and the results have been compared to those from standard single-reference methods. In general, the QV methods lead to increased activation energies and larger absolute reaction energies compared to those obtained with traditional coupled-cluster theory.

Optimal Quadratic Programming Algorithms

CERN Document Server

Dostal, Zdenek

2009-01-01

Quadratic programming (QP) is one technique that allows for the optimization of a quadratic function in several variables in the presence of linear constraints. This title presents various algorithms for solving large QP problems. It is suitable as an introductory text on quadratic programming for graduate students and researchers

Linear-quadratic control and quadratic differential forms for multidimensional behaviors

NARCIS (Netherlands)

Napp, D.; Trentelman, H.L.

2011-01-01

This paper deals with systems described by constant coefficient linear partial differential equations (nD-systems) from a behavioral point of view. In this context we treat the linear-quadratic control problem where the performance functional is the integral of a quadratic differential form. We look

Rescuing Quadratic Inflation

CERN Document Server

Ellis, John; Sueiro, Maria

2014-01-01

Inflationary models based on a single scalar field $\\phi$ with a quadratic potential $V = \\frac{1}{2} m^2 \\phi^2$ are disfavoured by the recent Planck constraints on the scalar index, $n_s$, and the tensor-to-scalar ratio for cosmological density perturbations, $r_T$. In this paper we study how such a quadratic inflationary model can be rescued by postulating additional fields with quadratic potentials, such as might occur in sneutrino models, which might serve as either curvatons or supplementary inflatons. Introducing a second scalar field reduces but does not remove the pressure on quadratic inflation, but we find a sample of three-field models that are highly compatible with the Planck data on $n_s$ and $r_T$. We exhibit a specific three-sneutrino example that is also compatible with the data on neutrino mass difference and mixing angles.

Robust Weak Chimeras in Oscillator Networks with Delayed Linear and Quadratic Interactions

Science.gov (United States)

Bick, Christian; Sebek, Michael; Kiss, István Z.

2017-10-01

We present an approach to generate chimera dynamics (localized frequency synchrony) in oscillator networks with two populations of (at least) two elements using a general method based on a delayed interaction with linear and quadratic terms. The coupling design yields robust chimeras through a phase-model-based design of the delay and the ratio of linear and quadratic components of the interactions. We demonstrate the method in the Brusselator model and experiments with electrochemical oscillators. The technique opens the way to directly bridge chimera dynamics in phase models and real-world oscillator networks.

Event-based cluster synchronization of coupled genetic regulatory networks

Science.gov (United States)

Yue, Dandan; Guan, Zhi-Hong; Li, Tao; Liao, Rui-Quan; Liu, Feng; Lai, Qiang

2017-09-01

In this paper, the cluster synchronization of coupled genetic regulatory networks with a directed topology is studied by using the event-based strategy and pinning control. An event-triggered condition with a threshold consisting of the neighbors' discrete states at their own event time instants and a state-independent exponential decay function is proposed. The intra-cluster states information and extra-cluster states information are involved in the threshold in different ways. By using the Lyapunov function approach and the theories of matrices and inequalities, we establish the cluster synchronization criterion. It is shown that both the avoidance of continuous transmission of information and the exclusion of the Zeno behavior are ensured under the presented triggering condition. Explicit conditions on the parameters in the threshold are obtained for synchronization. The stability criterion of a single GRN is also given under the reduced triggering condition. Numerical examples are provided to validate the theoretical results.

Cluster synchronization modes in an ensemble of coupled chaotic oscillators

DEFF Research Database (Denmark)

Belykh, Vladimir N.; Belykh, Igor V.; Mosekilde, Erik

2001-01-01

Considering systems of diffusively coupled identical chaotic oscillators, an effective method to determine the possible states of cluster synchronization and ensure their stability is presented. The method, which may find applications in communication engineering and other fields of science...

Quadratic algebras

CERN Document Server

Polishchuk, Alexander

2005-01-01

Quadratic algebras, i.e., algebras defined by quadratic relations, often occur in various areas of mathematics. One of the main problems in the study of these (and similarly defined) algebras is how to control their size. A central notion in solving this problem is the notion of a Koszul algebra, which was introduced in 1970 by S. Priddy and then appeared in many areas of mathematics, such as algebraic geometry, representation theory, noncommutative geometry, K-theory, number theory, and noncommutative linear algebra. The book offers a coherent exposition of the theory of quadratic and Koszul algebras, including various definitions of Koszulness, duality theory, Poincar�-Birkhoff-Witt-type theorems for Koszul algebras, and the Koszul deformation principle. In the concluding chapter of the book, they explain a surprising connection between Koszul algebras and one-dependent discrete-time stochastic processes.

Faithfully quadratic rings

CERN Document Server

Dickmann, M

2015-01-01

In this monograph the authors extend the classical algebraic theory of quadratic forms over fields to diagonal quadratic forms with invertible entries over broad classes of commutative, unitary rings where -1 is not a sum of squares and 2 is invertible. They accomplish this by: (1) Extending the classical notion of matrix isometry of forms to a suitable notion of T-isometry, where T is a preorder of the given ring, A, or T = A^2. (2) Introducing in this context three axioms expressing simple properties of (value) representation of elements of the ring by quadratic forms, well-known to hold in

Gravitation and quadratic forms

International Nuclear Information System (INIS)

Ananth, Sudarshan; Brink, Lars; Majumdar, Sucheta; Mali, Mahendra; Shah, Nabha

2017-01-01

The light-cone Hamiltonians describing both pure (N=0) Yang-Mills and N=4 super Yang-Mills may be expressed as quadratic forms. Here, we show that this feature extends to theories of gravity. We demonstrate how the Hamiltonians of both pure gravity and N=8 supergravity, in four dimensions, may be written as quadratic forms. We examine the effect of residual reparametrizations on the Hamiltonian and the resulting quadratic form.

Gravitation and quadratic forms

Energy Technology Data Exchange (ETDEWEB)

Ananth, Sudarshan [Indian Institute of Science Education and Research,Pune 411008 (India); Brink, Lars [Department of Physics, Chalmers University of Technology,S-41296 Göteborg (Sweden); Institute of Advanced Studies and Department of Physics & Applied Physics,Nanyang Technological University,Singapore 637371 (Singapore); Majumdar, Sucheta [Indian Institute of Science Education and Research,Pune 411008 (India); Mali, Mahendra [School of Physics, Indian Institute of Science Education and Research,Thiruvananthapuram, Trivandrum 695016 (India); Shah, Nabha [Indian Institute of Science Education and Research,Pune 411008 (India)

2017-03-31

The light-cone Hamiltonians describing both pure (N=0) Yang-Mills and N=4 super Yang-Mills may be expressed as quadratic forms. Here, we show that this feature extends to theories of gravity. We demonstrate how the Hamiltonians of both pure gravity and N=8 supergravity, in four dimensions, may be written as quadratic forms. We examine the effect of residual reparametrizations on the Hamiltonian and the resulting quadratic form.

Separable quadratic stochastic operators

International Nuclear Information System (INIS)

Rozikov, U.A.; Nazir, S.

2009-04-01

We consider quadratic stochastic operators, which are separable as a product of two linear operators. Depending on properties of these linear operators we classify the set of the separable quadratic stochastic operators: first class of constant operators, second class of linear and third class of nonlinear (separable) quadratic stochastic operators. Since the properties of operators from the first and second classes are well known, we mainly study the properties of the operators of the third class. We describe some Lyapunov functions of the operators and apply them to study ω-limit sets of the trajectories generated by the operators. We also compare our results with known results of the theory of quadratic operators and give some open problems. (author)

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

Science.gov (United States)

Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Relativistic coupled-cluster calculations of 20Ne, 40Ar, 84Kr, and 129Xe: Correlation energies and dipole polarizabilities

International Nuclear Information System (INIS)

Mani, B. K.; Angom, D.; Latha, K. V. P.

2009-01-01

We have carried out a detailed and systematic study of the correlation energies of inert gas atoms Ne, Ar, Kr, and Xe using relativistic many-body perturbation theory and relativistic coupled-cluster theory. In the relativistic coupled-cluster calculations, we implement perturbative triples and include these in the correlation energy calculations. We then calculate the dipole polarizability of the ground states using perturbed coupled-cluster theory.

Quadratic time dependent Hamiltonians and separation of variables

International Nuclear Information System (INIS)

Anzaldo-Meneses, A.

2017-01-01

Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green’s function is obtained and a comparison with the classical Hamilton–Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei–Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü–Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems. - Highlights: • Exact unitary transformation reducing time dependent quadratic quantum Hamiltonian to zero. • New separation of variables method and simultaneous uncoupling of modes. • Explicit examples of transformations for one to four dimensional problems. • New general evolution equation for quadratic form in the action, respectively Green’s function.

Pulse-coupled mixed-mode oscillators: Cluster states and extreme noise sensitivity

Science.gov (United States)

Karamchandani, Avinash J.; Graham, James N.; Riecke, Hermann

2018-04-01

Motivated by rhythms in the olfactory system of the brain, we investigate the synchronization of all-to-all pulse-coupled neuronal oscillators exhibiting various types of mixed-mode oscillations (MMOs) composed of sub-threshold oscillations (STOs) and action potentials ("spikes"). We focus particularly on the impact of the delay in the interaction. In the weak-coupling regime, we reduce the system to a Kuramoto-type equation with non-sinusoidal phase coupling and the associated Fokker-Planck equation. Its linear stability analysis identifies the appearance of various cluster states. Their type depends sensitively on the delay and the width of the pulses. Interestingly, long delays do not imply slow population rhythms, and the number of emerging clusters only loosely depends on the number of STOs. Direct simulations of the oscillator equations reveal that for quantitative agreement of the weak-coupling theory the coupling strength and the noise have to be extremely small. Even moderate noise leads to significant skipping of STO cycles, which can enhance the diffusion coefficient in the Fokker-Planck equation by two orders of magnitude. Introducing an effective diffusion coefficient extends the range of agreement significantly. Numerical simulations of the Fokker-Planck equation reveal bistability and solutions with oscillatory order parameters that result from nonlinear mode interactions. These are confirmed in simulations of the full spiking model.

Synchronising chaotic Chua's circuit using switching feedback control based on piecewise quadratic Lyapunov functions

International Nuclear Information System (INIS)

Hong-Bin, Zhang; Jian-Wei, Xia; Yong-Bin, Yu; Chuang-Yin, Dang

2010-01-01

This paper investigates the chaos synchronisation between two coupled chaotic Chua's circuits. The sufficient condition presented by linear matrix inequalities (LMIs) of global asymptotic synchronisation is attained based on piecewise quadratic Lyapunov functions. First, we obtain the piecewise linear differential inclusions (pwLDIs) model of synchronisation error dynamics, then we design a switching (piecewise-linear) feedback control law to stabilise it based on the piecewise quadratic Laypunov functions. Then we give some numerical simulations to demonstrate the effectiveness of our theoretical results

On the Coupling Time of the Heat-Bath Process for the Fortuin-Kasteleyn Random-Cluster Model

Science.gov (United States)

Collevecchio, Andrea; Elçi, Eren Metin; Garoni, Timothy M.; Weigel, Martin

2018-01-01

We consider the coupling from the past implementation of the random-cluster heat-bath process, and study its random running time, or coupling time. We focus on hypercubic lattices embedded on tori, in dimensions one to three, with cluster fugacity at least one. We make a number of conjectures regarding the asymptotic behaviour of the coupling time, motivated by rigorous results in one dimension and Monte Carlo simulations in dimensions two and three. Amongst our findings, we observe that, for generic parameter values, the distribution of the appropriately standardized coupling time converges to a Gumbel distribution, and that the standard deviation of the coupling time is asymptotic to an explicit universal constant multiple of the relaxation time. Perhaps surprisingly, we observe these results to hold both off criticality, where the coupling time closely mimics the coupon collector's problem, and also at the critical point, provided the cluster fugacity is below the value at which the transition becomes discontinuous. Finally, we consider analogous questions for the single-spin Ising heat-bath process.

Application of a Light-Front Coupled Cluster Method

International Nuclear Information System (INIS)

Chabysheva, S.S.; Hiller, J.R.

2012-01-01

As a test of the new light-front coupled-cluster method in a gauge theory, we apply it to the nonperturbative construction of the dressed-electron state in QED, for an arbitrary covariant gauge, and compute the electron's anomalous magnetic moment. The construction illustrates the spectator and Fock-sector independence of vertex and self-energy contributions and indicates resolution of the difficulties with uncanceled divergences that plague methods based on Fock-space truncation. (author)

Experimental observation of chimera and cluster states in a minimal globally coupled network

Energy Technology Data Exchange (ETDEWEB)

Hart, Joseph D. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Physics, University of Maryland, College Park, Maryland 20742 (United States); Bansal, Kanika [Department of Mathematics, University at Buffalo, SUNY Buffalo, New York 14260 (United States); US Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Murphy, Thomas E. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Electrical and Computer Engineering, University of Maryland, College Park, Maryland 20742 (United States); Roy, Rajarshi [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Physics, University of Maryland, College Park, Maryland 20742 (United States); Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States)

2016-09-15

A “chimera state” is a dynamical pattern that occurs in a network of coupled identical oscillators when the symmetry of the oscillator population is broken into synchronous and asynchronous parts. We report the experimental observation of chimera and cluster states in a network of four globally coupled chaotic opto-electronic oscillators. This is the minimal network that can support chimera states, and our study provides new insight into the fundamental mechanisms underlying their formation. We use a unified approach to determine the stability of all the observed partially synchronous patterns, highlighting the close relationship between chimera and cluster states as belonging to the broader phenomenon of partial synchronization. Our approach is general in terms of network size and connectivity. We also find that chimera states often appear in regions of multistability between global, cluster, and desynchronized states.

Precise measurement of coupling strength and high temperature quantum effect in a nonlinearly coupled qubit-oscillator system

Science.gov (United States)

Ge, Li; Zhao, Nan

2018-04-01

We study the coherence dynamics of a qubit coupled to a harmonic oscillator with both linear and quadratic interactions. As long as the linear coupling strength is much smaller than the oscillator frequency, the long time behavior of the coherence is dominated by the quadratic coupling strength g 2. The coherence decays and revives at a period , with the width of coherence peak decreasing as the temperature increases, hence providing a way to measure g 2 precisely without cooling. Unlike the case of linear coupling, here the coherence dynamics never reduces to the classical limit in which the oscillator is classical. Finally, the validity of linear coupling approximation is discussed and the coherence under Hahn-echo is evaluated.

Hydrodynamical simulations of coupled and uncoupled quintessence models - II. Galaxy clusters

Science.gov (United States)

Carlesi, Edoardo; Knebe, Alexander; Lewis, Geraint F.; Yepes, Gustavo

2014-04-01

We study the z = 0 properties of clusters (and large groups) of galaxies within the context of interacting and non-interacting quintessence cosmological models, using a series of adiabatic SPH simulations. Initially, we examine the average properties of groups and clusters, quantifying their differences in ΛCold Dark Matter (ΛCDM), uncoupled Dark Energy (uDE) and coupled Dark Energy (cDE) cosmologies. In particular, we focus upon radial profiles of the gas density, temperature and pressure, and we also investigate how the standard hydrodynamic equilibrium hypothesis holds in quintessence cosmologies. While we are able to confirm previous results about the distribution of baryons, we also find that the main discrepancy (with differences up to 20 per cent) can be seen in cluster pressure profiles. We then switch attention to individual structures, mapping each halo in quintessence cosmology to its ΛCDM counterpart. We are able to identify a series of small correlations between the coupling in the dark sector and halo spin, triaxiality and virialization ratio. When looking at spin and virialization of dark matter haloes, we find a weak (5 per cent) but systematic deviation in fifth force scenarios from ΛCDM.

Explicitly-correlated ring-coupled-cluster-doubles theory: Including exchange for computations on closed-shell systems

Energy Technology Data Exchange (ETDEWEB)

Hehn, Anna-Sophia; Holzer, Christof; Klopper, Wim, E-mail: klopper@kit.edu

2016-11-10

Highlights: • Ring-coupled-cluster-doubles approach now implemented with exchange terms. • Ring-coupled-cluster-doubles approach now implemented with F12 functions. • Szabo–Ostlund scheme (SO2) implemented for use in SAPT. • Fast convergence to the limit of a complete basis. • Implementation in the TURBOMOLE program system. - Abstract: Random-phase-approximation (RPA) methods have proven to be powerful tools in electronic-structure theory, being non-empirical, computationally efficient and broadly applicable to a variety of molecular systems including small-gap systems, transition-metal compounds and dispersion-dominated complexes. Applications are however hindered due to the slow basis-set convergence of the electron-correlation energy with the one-electron basis. As a remedy, we present approximate explicitly-correlated RPA approaches based on the ring-coupled-cluster-doubles formulation including exchange contributions. Test calculations demonstrate that the basis-set convergence of correlation energies is drastically accelerated through the explicitly-correlated approach, reaching 99% of the basis-set limit with triple-zeta basis sets. When implemented in close analogy to early work by Szabo and Ostlund [36], the new explicitly-correlated ring-coupled-cluster-doubles approach including exchange has the perspective to become a valuable tool in the framework of symmetry-adapted perturbation theory (SAPT) for the computation of dispersion energies of molecular complexes of weakly interacting closed-shell systems.

A Coupled User Clustering Algorithm Based on Mixed Data for Web-Based Learning Systems

Directory of Open Access Journals (Sweden)

Ke Niu

2015-01-01

Full Text Available In traditional Web-based learning systems, due to insufficient learning behaviors analysis and personalized study guides, a few user clustering algorithms are introduced. While analyzing the behaviors with these algorithms, researchers generally focus on continuous data but easily neglect discrete data, each of which is generated from online learning actions. Moreover, there are implicit coupled interactions among the data but are frequently ignored in the introduced algorithms. Therefore, a mass of significant information which can positively affect clustering accuracy is neglected. To solve the above issues, we proposed a coupled user clustering algorithm for Wed-based learning systems by taking into account both discrete and continuous data, as well as intracoupled and intercoupled interactions of the data. The experiment result in this paper demonstrates the outperformance of the proposed algorithm.

Aspects of Quadratic Gravity

CERN Document Server

Alvarez-Gaume, Luis; Kounnas, Costas; Lust, Dieter; Riotto, Antonio

2016-01-01

We discuss quadratic gravity where terms quadratic in the curvature tensor are included in the action. After reviewing the corresponding field equations, we analyze in detail the physical propagating modes in some specific backgrounds. First we confirm that the pure $R^2$ theory is indeed ghost free. Then we point out that for flat backgrounds the pure $R^2$ theory propagates only a scalar massless mode and no spin-two tensor mode. However, the latter emerges either by expanding the theory around curved backgrounds like de Sitter or anti-de Sitter, or by changing the long-distance dynamics by introducing the standard Einstein term. In both cases, the theory is modified in the infrared and a propagating graviton is recovered. Hence we recognize a subtle interplay between the UV and IR properties of higher order gravity. We also calculate the corresponding Newton's law for general quadratic curvature theories. Finally, we discuss how quadratic actions may be obtained from a fundamental theory like string- or M-...

Fourth-order perturbative extension of the single-double excitation coupled-cluster method

International Nuclear Information System (INIS)

Derevianko, Andrei; Emmons, Erik D.

2002-01-01

Fourth-order many-body corrections to matrix elements for atoms with one valence electron are derived. The obtained diagrams are classified using coupled-cluster-inspired separation into contributions from n-particle excitations from the lowest-order wave function. The complete set of fourth-order diagrams involves only connected single, double, and triple excitations and disconnected quadruple excitations. Approximately half of the fourth-order diagrams are not accounted for by the popular coupled-cluster method truncated at single and double excitations (CCSD). Explicit formulas are tabulated for the entire set of fourth-order diagrams missed by the CCSD method and its linearized version, i.e., contributions from connected triple and disconnected quadruple excitations. A partial summation scheme of the derived fourth-order contributions to all orders of perturbation theory is proposed

Bridging quantum chemistry and nuclear structure theory: Coupled-cluster calculations for closed- and open-shell nuclei

International Nuclear Information System (INIS)

Piecuch, Piotr; Wloch, Marta; Gour, Jeffrey R.; Dean, David J.; Papenbrock, Thomas; Hjorth-Jensen, Morten

2005-01-01

We review basic elements of the single-reference coupled-cluster theory and discuss large scale ab initio calculations of ground and excited states of 15O, 16O, and 17O using coupled-cluster methods and algorithms developed in quantum chemistry. By using realistic two-body interactions and the renormalized form of the Hamiltonian obtained with a no-core G-matrix approach, we obtain the converged results for 16O and promising preliminary results for 15O and 17O at the level of two-body interactions. The calculated properties other than energies include matter density, charge radius, and charge form factor. The relatively low costs of coupled-cluster calculations, which are characterized by the low-order polynomial scaling with the system size, enable us to probe large model spaces with up to 7 or 8 major oscillator shells, for which non-truncated shell-model calculations for nuclei with A = 15 17 active particles are presently not possible. We argue that the use of coupled-cluster methods and computer algorithms developed by quantum chemists to calculate properties of nuclei is an important step toward the development of accurate and affordable many-body theories that cross the boundaries of various physical sciences

Nonequilibrium dynamics of polariton entanglement in a cluster of coupled traps

Energy Technology Data Exchange (ETDEWEB)

Quiroga, L [Departamento de Fisica, Universidad de Los Andes, A.A.4976, Bogota D.C. (Colombia); Tejedor, C, E-mail: lquiroga@uniandes.edu.c [Departamento de Fisica Teorica de la Materia Condensada, Universidad Autonoma de Madrid, Cantoblanco, E-28049, Madrid (Spain)

2009-05-01

We study in detail the generation and relaxation of quantum coherences (entanglement) in a system of coupled polariton traps. By exploiting a Lie algebraic based super-operator technique we provide an analytical exact solution for the Markovian dissipative dynamics (Master equation) of such system which is valid for arbitrary cluster size, polariton-polariton interaction strength, temperature and initial state. Based on the exact solution of the Master equation at T = OK, we discuss how dissipation affects the quantum entanglement dynamics of coupled polariton systems.

High-accuracy coupled cluster calculations of atomic properties

Energy Technology Data Exchange (ETDEWEB)

Borschevsky, A. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel and Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Private Bag 102904, 0745 Auckland (New Zealand); Yakobi, H.; Eliav, E.; Kaldor, U. [School of Chemistry, Tel Aviv University, 69978 Tel Aviv (Israel)

2015-01-22

The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

High-accuracy coupled cluster calculations of atomic properties

International Nuclear Information System (INIS)

Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

2015-01-01

The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm −1 , the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues

Toward enabling large-scale open-shell equation-of-motion coupled cluster calculations: triplet states of β-carotene

Energy Technology Data Exchange (ETDEWEB)

Hu, Hanshi; Bhaskaran-Nair, Kiran; Apra, Edoardo; Govind, Niranjan; Kowalski, Karol

2014-10-02

In this paper we discuss the application of novel parallel implementation of the coupled cluster (CC) and equation-of-motion coupled cluster methods (EOMCC) in calculations of excitation energies of triplet states in beta-carotene. Calculated excitation energies are compared with experimental data, where available. We also provide a detailed description of the new parallel algorithms for iterative CC and EOMCC models involving single and doubles excitations.

On Characterization of Quadratic Splines

DEFF Research Database (Denmark)

Chen, B. T.; Madsen, Kaj; Zhang, Shuzhong

2005-01-01

that the representation can be refined in a neighborhood of a non-degenerate point and a set of non-degenerate minimizers. Based on these characterizations, many existing algorithms for specific convex quadratic splines are also finite convergent for a general convex quadratic spline. Finally, we study the relationship...... between the convexity of a quadratic spline function and the monotonicity of the corresponding LCP problem. It is shown that, although both conditions lead to easy solvability of the problem, they are different in general....

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

Science.gov (United States)

Gruber, Thomas; Liao, Ke; Tsatsoulis, Theodoros; Hummel, Felix; Grüneis, Andreas

2018-04-01

Modern electronic structure theories can predict and simulate a wealth of phenomena in surface science and solid-state physics. In order to allow for a direct comparison with experiment, such ab initio predictions have to be made in the thermodynamic limit, substantially increasing the computational cost of many-electron wave-function theories. Here, we present a method that achieves thermodynamic limit results for solids and surfaces using the "gold standard" coupled cluster ansatz of quantum chemistry with unprecedented efficiency. We study the energy difference between carbon diamond and graphite crystals, adsorption energies of water on h -BN, as well as the cohesive energy of the Ne solid, demonstrating the increased efficiency and accuracy of coupled cluster theory for solids and surfaces.

Four-cluster chimera state in non-locally coupled phase oscillator systems with an external potential

International Nuclear Information System (INIS)

Zhu Yun; Zheng Zhi-Gang; Yang Jun-Zhong

2013-01-01

Dynamics of a one-dimensional array of non-locally coupled Kuramoto phase oscillators with an external potential is studied. A four-cluster chimera state is observed for the moderate strength of the external potential. Different from the clustered chimera states studied before, the instantaneous frequencies of the oscillators in a synchronized cluster are different in the presence of the external potential. As the strength of the external potential increases, a bifurcation from the two-cluster chimera state to the four-cluster chimera states can be found. These phenomena are well predicted analytically with the help of the Ott—Antonsen ansatz. (general)

Quadratic third-order tensor optimization problem with quadratic constraints

Directory of Open Access Journals (Sweden)

Lixing Yang

2014-05-01

Full Text Available Quadratically constrained quadratic programs (QQPs problems play an important modeling role for many diverse problems. These problems are in general NP hard and numerically intractable. Semidenite programming (SDP relaxations often provide good approximate solutions to these hard problems. For several special cases of QQP, e.g., convex programs and trust region subproblems, SDP relaxation provides the exact optimal value, i.e., there is a zero duality gap. However, this is not true for the general QQP, or even the QQP with two convex constraints, but a nonconvex objective.In this paper, we consider a certain QQP where the variable is neither vector nor matrix but a third-order tensor. This problem can be viewed as a generalization of the ordinary QQP with vector or matrix as it's variant. Under some mild conditions, we rst show that SDP relaxation provides exact optimal solutions for the original problem. Then we focus on two classes of homogeneous quadratic tensor programming problems which have no requirements on the constraints number. For one, we provide an easily implemental polynomial time algorithm to approximately solve the problem and discuss the approximation ratio. For the other, we show there is no gap between the SDP relaxation and itself.

On the Interpretation of Gravitational Corrections to Gauge Couplings

CERN Document Server

Ellis, John

2012-01-01

Several recent papers discuss gravitational corrections to gauge couplings that depend quadratically on the energy. In the framework of the background-field approach, these correspond in general to adding to the effective action terms quadratic in the field strength but with higher-order space-time derivatives. We observe that such terms can be removed by appropriate local field redefinitions, and do not contribute to physical scattering-matrix elements. We illustrate this observation in the context of open string theory, where the effective action includes, among other terms, the well-known Born-Infeld form of non-linear electrodynamics. We conclude that the quadratically energy-dependent gravitational corrections are \\emph{not} physical in the sense of contributing to the running of a physically-measurable gauge coupling, or of unifying couplings as in string theory.

Two healing lengths in a two-band GL-model with quadratic terms: Numerical results

Science.gov (United States)

Macias-Medri, A. E.; Rodríguez-Núñez, J. J.

2018-05-01

A two-band and quartic interaction order Ginzburg-Landau model in the presence of a single vortex is studied in this work. Interactions of second (quadratic, with coupling parameter γ) and fourth (quartic, with coupling parameter γ˜) order between the two superconducting order parameters (fi with i = 1,2) are incorporated in a functional. Terms beyond quadratic gradient contributions are neglected in the corresponding minimized free energy. The solution of the system of coupled equations is solved by numerical methods to obtain the fi-profiles, where our starting point was the calculation of the superconducting critical temperature Tc. With this at hand, we evaluate fi and the magnetic field along the z-axis, B0, as function of γ, γ˜, the radial distance r/λ1(0) and the temperature T, for T ≈ Tc. The self-consistent equations allow us to compute λ (penetration depth) and the healing lengths of fi (Lhi with i = 1,2) as functions of T, γ and γ˜. At the end, relevant discussions about type-1.5 superconductivity in the compounds we have studied are presented.

Coupled-cluster treatment of molecular strong-field ionization

Science.gov (United States)

Jagau, Thomas-C.

2018-05-01

Ionization rates and Stark shifts of H2, CO, O2, H2O, and CH4 in static electric fields have been computed with coupled-cluster methods in a basis set of atom-centered Gaussian functions with a complex-scaled exponent. Consideration of electron correlation is found to be of great importance even for a qualitatively correct description of the dependence of ionization rates and Stark shifts on the strength and orientation of the external field. The analysis of the second moments of the molecular charge distribution suggests a simple criterion for distinguishing tunnel and barrier suppression ionization in polyatomic molecules.

Non normal and non quadratic anisotropic plasticity coupled with ductile damage in sheet metal forming: Application to the hydro bulging test

International Nuclear Information System (INIS)

Badreddine, Houssem; Saanouni, Khemaies; Dogui, Abdelwaheb

2007-01-01

In this work an improved material model is proposed that shows good agreement with experimental data for both hardening curves and plastic strain ratios in uniaxial and equibiaxial proportional loading paths for steel metal until the final fracture. This model is based on non associative and non normal flow rule using two different orthotropic equivalent stresses in both yield criterion and plastic potential functions. For the plastic potential the classical Hill 1948 quadratic equivalent stress is considered while for the yield criterion the Karafillis and Boyce 1993 non quadratic equivalent stress is used taking into account the non linear mixed (kinematic and isotropic) hardening. Applications are made to hydro bulging tests using both circular and elliptical dies. The results obtained with different particular cases of the model such as the normal quadratic and the non normal non quadratic cases are compared and discussed with respect to the experimental results

Extending the Scope of Robust Quadratic Optimization

NARCIS (Netherlands)

Marandi, Ahmadreza; Ben-Tal, A.; den Hertog, Dick; Melenberg, Bertrand

In this paper, we derive tractable reformulations of the robust counterparts of convex quadratic and conic quadratic constraints with concave uncertainties for a broad range of uncertainty sets. For quadratic constraints with convex uncertainty, it is well-known that the robust counterpart is, in

A numerical algorithm to find all feedback Nash equilibria in scalar affine quadratic differential games

NARCIS (Netherlands)

Engwerda, Jacob

2015-01-01

This note deals with solving scalar coupled algebraic Riccati equations. These equations arise in finding linear feedback Nash equilibria of the scalar N-player affine quadratic differential game. A numerical procedure is provided to compute all the stabilizing solutions. The main idea is to

Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors

Science.gov (United States)

Bokhan, Denis; Trubnikov, Dmitrii N.; Perera, Ajith; Bartlett, Rodney J.

2018-04-01

An explicitly-correlated method of calculation of excited states with spin-orbit couplings, has been formulated and implemented. Developed approach utilizes left and right eigenvectors of equation-of-motion coupled-cluster model, which is based on the linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] method. The spin-orbit interactions are introduced by using the spin-orbit mean field (SOMF) approximation of the Breit-Pauli Hamiltonian. Numerical tests for several atoms and molecules show good agreement between explicitly-correlated results and the corresponding values, calculated in complete basis set limit (CBS); the highly-accurate excitation energies can be obtained already at triple- ζ level.

Quadratic residues and non-residues selected topics

CERN Document Server

Wright, Steve

2016-01-01

This book offers an account of the classical theory of quadratic residues and non-residues with the goal of using that theory as a lens through which to view the development of some of the fundamental methods employed in modern elementary, algebraic, and analytic number theory. The first three chapters present some basic facts and the history of quadratic residues and non-residues and discuss various proofs of the Law of Quadratic Reciprosity in depth, with an emphasis on the six proofs that Gauss published. The remaining seven chapters explore some interesting applications of the Law of Quadratic Reciprocity, prove some results concerning the distribution and arithmetic structure of quadratic residues and non-residues, provide a detailed proof of Dirichlet’s Class-Number Formula, and discuss the question of whether quadratic residues are randomly distributed. The text is a valuable resource for graduate and advanced undergraduate students as well as for mathematicians interested in number theory.

Students' Understanding of Quadratic Equations

Science.gov (United States)

López, Jonathan; Robles, Izraim; Martínez-Planell, Rafael

2016-01-01

Action-Process-Object-Schema theory (APOS) was applied to study student understanding of quadratic equations in one variable. This required proposing a detailed conjecture (called a genetic decomposition) of mental constructions students may do to understand quadratic equations. The genetic decomposition which was proposed can contribute to help…

Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations.

Science.gov (United States)

Lutnaes, Ola B; Teale, Andrew M; Helgaker, Trygve; Tozer, David J; Ruud, Kenneth; Gauss, Jürgen

2009-10-14

An accurate set of benchmark rotational g tensors and magnetizabilities are calculated using coupled-cluster singles-doubles (CCSD) theory and coupled-cluster single-doubles-perturbative-triples [CCSD(T)] theory, in a variety of basis sets consisting of (rotational) London atomic orbitals. The accuracy of the results obtained is established for the rotational g tensors by careful comparison with experimental data, taking into account zero-point vibrational corrections. After an analysis of the basis sets employed, extrapolation techniques are used to provide estimates of the basis-set-limit quantities, thereby establishing an accurate benchmark data set. The utility of the data set is demonstrated by examining a wide variety of density functionals for the calculation of these properties. None of the density-functional methods are competitive with the CCSD or CCSD(T) methods. The need for a careful consideration of vibrational effects is clearly illustrated. Finally, the pure coupled-cluster results are compared with the results of density-functional calculations constrained to give the same electronic density. The importance of current dependence in exchange-correlation functionals is discussed in light of this comparison.

Selective Linear or Quadratic Optomechanical Coupling via Measurement

Directory of Open Access Journals (Sweden)

Michael R. Vanner

2011-11-01

Full Text Available The ability to engineer both linear and nonlinear coupling with a mechanical resonator is an important goal for the preparation and investigation of macroscopic mechanical quantum behavior. In this work, a measurement based scheme is presented where linear or square mechanical-displacement coupling can be achieved using the optomechanical interaction that is linearly proportional to the mechanical position. The resulting square-displacement measurement strength is compared to that attainable in the dispersive case that has a direct interaction with the mechanical-displacement squared. An experimental protocol and parameter set are discussed for the generation and observation of non-Gaussian states of motion of the mechanical element.

A Coupled Hidden Markov Random Field Model for Simultaneous Face Clustering and Tracking in Videos

KAUST Repository

Wu, Baoyuan

2016-10-25

Face clustering and face tracking are two areas of active research in automatic facial video processing. They, however, have long been studied separately, despite the inherent link between them. In this paper, we propose to perform simultaneous face clustering and face tracking from real world videos. The motivation for the proposed research is that face clustering and face tracking can provide useful information and constraints to each other, thus can bootstrap and improve the performances of each other. To this end, we introduce a Coupled Hidden Markov Random Field (CHMRF) to simultaneously model face clustering, face tracking, and their interactions. We provide an effective algorithm based on constrained clustering and optimal tracking for the joint optimization of cluster labels and face tracking. We demonstrate significant improvements over state-of-the-art results in face clustering and tracking on several videos.

Dynamical invariants for variable quadratic Hamiltonians

International Nuclear Information System (INIS)

Suslov, Sergei K

2010-01-01

We consider linear and quadratic integrals of motion for general variable quadratic Hamiltonians. Fundamental relations between the eigenvalue problem for linear dynamical invariants and solutions of the corresponding Cauchy initial value problem for the time-dependent Schroedinger equation are emphasized. An eigenfunction expansion of the solution of the initial value problem is also found. A nonlinear superposition principle for generalized Ermakov systems is established as a result of decomposition of the general quadratic invariant in terms of the linear ones.

Perturbative triples correction for explicitly correlated Mukherjee's state-specific coupled cluster method

Czech Academy of Sciences Publication Activity Database

Demel, Ondřej; Kedžuch, S.; Noga, J.; Pittner, Jiří

2013-01-01

Roč. 111, 16-17 (2013), s. 2477-2488 ISSN 0026-8976 R&D Projects: GA ČR GPP208/10/P041; GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : explicitly correlated * coupled cluster * multireference Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.642, year: 2013

Orthogonality preserving infinite dimensional quadratic stochastic operators

International Nuclear Information System (INIS)

Akın, Hasan; Mukhamedov, Farrukh

2015-01-01

In the present paper, we consider a notion of orthogonal preserving nonlinear operators. We introduce π-Volterra quadratic operators finite and infinite dimensional settings. It is proved that any orthogonal preserving quadratic operator on finite dimensional simplex is π-Volterra quadratic operator. In infinite dimensional setting, we describe all π-Volterra operators in terms orthogonal preserving operators

Polyhedral combinatorics of the cardinality constrained quadratic knapsack problem and the quadratic selective travelling salesman problem

DEFF Research Database (Denmark)

Mak, Vicky; Thomadsen, Tommy

2006-01-01

This paper considers the cardinality constrained quadratic knapsack problem (QKP) and the quadratic selective travelling salesman problem (QSTSP). The QKP is a generalization of the knapsack problem and the QSTSP is a generalization of the travelling salesman problem. Thus, both problems are NP...

Quadratic brackets from symplectic forms

International Nuclear Information System (INIS)

Alekseev, Anton Yu.; Todorov, Ivan T.

1994-01-01

We give a physicist oriented survey of Poisson-Lie symmetries of classical systems. We consider finite-dimensional geometric actions and the chiral WZNW model as examples for the general construction. An essential point is the appearance of quadratic Poisson brackets for group-like variables. It is believed that upon quantization they lead to quadratic exchange algebras. ((orig.))

Large-Scale Multi-Dimensional Document Clustering on GPU Clusters

Energy Technology Data Exchange (ETDEWEB)

Cui, Xiaohui [ORNL; Mueller, Frank [North Carolina State University; Zhang, Yongpeng [ORNL; Potok, Thomas E [ORNL

2010-01-01

Document clustering plays an important role in data mining systems. Recently, a flocking-based document clustering algorithm has been proposed to solve the problem through simulation resembling the flocking behavior of birds in nature. This method is superior to other clustering algorithms, including k-means, in the sense that the outcome is not sensitive to the initial state. One limitation of this approach is that the algorithmic complexity is inherently quadratic in the number of documents. As a result, execution time becomes a bottleneck with large number of documents. In this paper, we assess the benefits of exploiting the computational power of Beowulf-like clusters equipped with contemporary Graphics Processing Units (GPUs) as a means to significantly reduce the runtime of flocking-based document clustering. Our framework scales up to over one million documents processed simultaneously in a sixteennode GPU cluster. Results are also compared to a four-node cluster with higher-end GPUs. On these clusters, we observe 30X-50X speedups, which demonstrates the potential of GPU clusters to efficiently solve massive data mining problems. Such speedups combined with the scalability potential and accelerator-based parallelization are unique in the domain of document-based data mining, to the best of our knowledge.

Cluster synchronization in networks of identical oscillators with α-function pulse coupling.

Science.gov (United States)

Chen, Bolun; Engelbrecht, Jan R; Mirollo, Renato

2017-02-01

We study a network of N identical leaky integrate-and-fire model neurons coupled by α-function pulses, weighted by a coupling parameter K. Studies of the dynamics of this system have mostly focused on the stability of the fully synchronized and the fully asynchronous splay states, which naturally depends on the sign of K, i.e., excitation vs inhibition. We find that there is also a rich set of attractors consisting of clusters of fully synchronized oscillators, such as fixed (N-1,1) states, which have synchronized clusters of sizes N-1 and 1, as well as splay states of clusters with equal sizes greater than 1. Additionally, we find limit cycles that clarify the stability of previously observed quasiperiodic behavior. Our framework exploits the neutrality of the dynamics for K=0 which allows us to implement a dimensional reduction strategy that simplifies the dynamics to a continuous flow on a codimension 3 subspace with the sign of K determining the flow direction. This reduction framework naturally incorporates a hierarchy of partially synchronized subspaces in which the new attracting states lie. Using high-precision numerical simulations, we describe completely the sequence of bifurcations and the stability of all fixed points and limit cycles for N=2-4. The set of possible attracting states can be used to distinguish different classes of neuron models. For instance from our previous work [Chaos 24, 013114 (2014)CHAOEH1054-150010.1063/1.4858458] we know that of the types of partially synchronized states discussed here, only the (N-1,1) states can be stable in systems of identical coupled sinusoidal (i.e., Kuramoto type) oscillators, such as θ-neuron models. Upon introducing a small variation in individual neuron parameters, the attracting fixed points we discuss here generalize to equivalent fixed points in which neurons need not fire coincidently.

Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

Czech Academy of Sciences Publication Activity Database

Brabec, Jiří; Bhaskaran-Neir, K.; Govind, N.; Pittner, Jiří

2012-01-01

Roč. 137, č. 17 (2012), s. 171101 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : coupled cluster calculations * electron correlations * excited states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

A garden of orchids: a generalized Harper equation at quadratic irrational frequencies

International Nuclear Information System (INIS)

Mestel, B D; Osbaldestin, A H

2004-01-01

We consider a generalized Harper equation at quadratic irrational flux, showing, in the strong coupling limit, the fluctuations of the exponentially decaying eigenfunctions are governed by the dynamics of a renormalization operator on a renormalization strange set. This work generalizes previous analyses which have considered only the golden mean case. Projections of the renormalization strange sets are illustrated analogous to the 'orchid' present in the golden mean case

A garden of orchids: a generalized Harper equation at quadratic irrational frequencies

Energy Technology Data Exchange (ETDEWEB)

Mestel, B D [Department of Computing Science and Mathematics, University of Stirling, Stirling FK9 4LA (United Kingdom); Osbaldestin, A H [Department of Mathematics, University of Portsmouth, Portsmouth PO1 3HE (United Kingdom)

2004-10-01

We consider a generalized Harper equation at quadratic irrational flux, showing, in the strong coupling limit, the fluctuations of the exponentially decaying eigenfunctions are governed by the dynamics of a renormalization operator on a renormalization strange set. This work generalizes previous analyses which have considered only the golden mean case. Projections of the renormalization strange sets are illustrated analogous to the 'orchid' present in the golden mean case.

Similarity-transformed equation-of-motion vibrational coupled-cluster theory

Science.gov (United States)

Faucheaux, Jacob A.; Nooijen, Marcel; Hirata, So

2018-02-01

A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green's function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicity.

A revisit to quadratic programming with fuzzy parameters

International Nuclear Information System (INIS)

Liu, S.-T.

2009-01-01

Quadratic programming has been widely applied to solving real-world problems. Recently, Liu describes a solution method for solving a class of fuzzy quadratic programming problems, where the cost coefficients of the linear terms in objective function, constraint coefficients, and right-hand sides are fuzzy numbers [Liu ST. Quadratic programming with fuzzy parameters: a membership function approach. Chaos, Solitons and Fractals 2009;40:237-45]. In this paper, we generalize Liu's method to a more general fuzzy quadratic programming problem, where the cost coefficients in objective function, constraint coefficients, and right-hand sides are all fuzzy numbers. A pair of two-level mathematical programs is formulated to calculate the upper bound and lower bound of the objective values of the fuzzy quadratic program. Based on the duality theorem and by applying the variable transformation technique, the pair of two-level mathematical programs is transformed into a family of conventional one-level quadratic programs. Solving the pair of quadratic programs produces the fuzzy objective values of the problem. With the ability of calculating the fuzzy objective value developed in this paper, it might help initiate wider applications.

Coupling effect on the Berry phase

Directory of Open Access Journals (Sweden)

Lijing Tian

2016-11-01

Full Text Available The Berry phase has universal applications in various fields. Here, we explore the coupling effect on the Berry phase of a two-level system adiabatically driven by a rotating classical field and interacting with a single quantized mode. Our simulations clearly reveal that the Berry phase change is quadratic proportional to the coupling constant if it is less than the level spacing between neighboring instantaneous eigenstates. Remarkably, if the nearest neighbouring level spacing is comparable with the coupling constant, this simple quadratic dependence is lost. Around this resonance, the Berry phase can be significantly tuned by slightly adjusting the parameters, such as the coupling constant, the frequency of the quantized mode, and the transition frequency. These numerical results, agreeing well with the perturbation theory calculations, provide an alternative approach to tune the Berry phase near the resonance, which is useful in quantum information science, i.e. designing quantum logic gates.

Theories of quantum dissipation and nonlinear coupling bath descriptors

Science.gov (United States)

Xu, Rui-Xue; Liu, Yang; Zhang, Hou-Dao; Yan, YiJing

2018-03-01

The quest of an exact and nonperturbative treatment of quantum dissipation in nonlinear coupling environments remains in general an intractable task. In this work, we address the key issues toward the solutions to the lowest nonlinear environment, a harmonic bath coupled both linearly and quadratically with an arbitrary system. To determine the bath coupling descriptors, we propose a physical mapping scheme, together with the prescription reference invariance requirement. We then adopt a recently developed dissipaton equation of motion theory [R. X. Xu et al., Chin. J. Chem. Phys. 30, 395 (2017)], with the underlying statistical quasi-particle ("dissipaton") algebra being extended to the quadratic bath coupling. We report the numerical results on a two-level system dynamics and absorption and emission line shapes.

Stationary solutions and self-trapping in discrete quadratic nonlinear systems

DEFF Research Database (Denmark)

Bang, Ole; Christiansen, Peter Leth; Clausen, Carl A. Balslev

1998-01-01

We consider the simplest equations describing coupled quadratic nonlinear (chi((2))) systems, which each consists of a fundamental mode resonantly interacting with its second harmonic. Such discrete equations apply, e.g., to optics, where they can describe arrays of chi((2)) waveguides...... the nonintegrable dimer reduce to the discrete nonlinear Schrodinger (DNLS) equation with two degrees of freedom, which is integrable. We show how the stationary solutions to the two systems correspond to each other and how the self-trapped DNLS solutions gradually develop chaotic dynamics in the chi((2)) system...

Quadratic Boost A-Source Impedance Network

DEFF Research Database (Denmark)

Siwakoti, Yam Prasad; Blaabjerg, Frede; Chub, Andrii

2016-01-01

A novel quadratic boost A-source impedance network is proposed to realize converters that demand very high voltage gain. To satisfy the requirement, the network uses an autotransformer where the obtained gain is quadratically dependent on the duty ratio and is unmatched by any existing impedance...

Cluster Synchronization of Diffusively Coupled Nonlinear Systems: A Contraction-Based Approach

Science.gov (United States)

Aminzare, Zahra; Dey, Biswadip; Davison, Elizabeth N.; Leonard, Naomi Ehrich

2018-04-01

Finding the conditions that foster synchronization in networked nonlinear systems is critical to understanding a wide range of biological and mechanical systems. However, the conditions proved in the literature for synchronization in nonlinear systems with linear coupling, such as has been used to model neuronal networks, are in general not strict enough to accurately determine the system behavior. We leverage contraction theory to derive new sufficient conditions for cluster synchronization in terms of the network structure, for a network where the intrinsic nonlinear dynamics of each node may differ. Our result requires that network connections satisfy a cluster-input-equivalence condition, and we explore the influence of this requirement on network dynamics. For application to networks of nodes with FitzHugh-Nagumo dynamics, we show that our new sufficient condition is tighter than those found in previous analyses that used smooth or nonsmooth Lyapunov functions. Improving the analytical conditions for when cluster synchronization will occur based on network configuration is a significant step toward facilitating understanding and control of complex networked systems.

A Coupled Hidden Conditional Random Field Model for Simultaneous Face Clustering and Naming in Videos

KAUST Repository

Zhang, Yifan

2016-08-18

For face naming in TV series or movies, a typical way is using subtitles/script alignment to get the time stamps of the names, and tagging them to the faces. We study the problem of face naming in videos when subtitles are not available. To this end, we divide the problem into two tasks: face clustering which groups the faces depicting a certain person into a cluster, and name assignment which associates a name to each face. Each task is formulated as a structured prediction problem and modeled by a hidden conditional random field (HCRF) model. We argue that the two tasks are correlated problems whose outputs can provide prior knowledge of the target prediction for each other. The two HCRFs are coupled in a unified graphical model called coupled HCRF where the joint dependence of the cluster labels and face name association is naturally embedded in the correlation between the two HCRFs. We provide an effective algorithm to optimize the two HCRFs iteratively and the performance of the two tasks on real-world data set can be both improved.

Quadratic Diophantine equations

CERN Document Server

Andreescu, Titu

2015-01-01

This monograph treats the classical theory of quadratic Diophantine equations and guides the reader through the last two decades of computational techniques and progress in the area. These new techniques combined with the latest increases in computational power shed new light on important open problems. The authors motivate the study of quadratic Diophantine equations with excellent examples, open problems, and applications. Moreover, the exposition aptly demonstrates many applications of results and techniques from the study of Pell-type equations to other problems in number theory. The book is intended for advanced undergraduate and graduate students as well as researchers. It challenges the reader to apply not only specific techniques and strategies, but also to employ methods and tools from other areas of mathematics, such as algebra and analysis.

Two- and four-component relativistic generalized-active-space coupled cluster method: implementation and application to BiH.

Science.gov (United States)

Sørensen, Lasse K; Olsen, Jeppe; Fleig, Timo

2011-06-07

A string-based coupled-cluster method of general excitation rank and with optimal scaling which accounts for special relativity within the four-component framework is presented. The method opens the way for the treatment of multi-reference problems through an active-space inspired single-reference based state-selective expansion of the model space. The evaluation of the coupled-cluster vector function is implemented by considering contractions of elementary second-quantized operators without setting up the amplitude equations explicitly. The capabilities of the new method are demonstrated in application to the electronic ground state of the bismuth monohydride molecule. In these calculations simulated multi-reference expansions with both doubles and triples excitations into the external space as well as the regular coupled-cluster hierarchy up to full quadruples excitations are compared. The importance of atomic outer core-correlation for obtaining accurate results is shown. Comparison to the non-relativistic framework is performed throughout to illustrate the additional work of the transition to the four-component relativistic framework both in implementation and application. Furthermore, an evaluation of the highest order scaling for general-order expansions is presented. © 2011 American Institute of Physics

Optimality Conditions for Fuzzy Number Quadratic Programming with Fuzzy Coefficients

Directory of Open Access Journals (Sweden)

Xue-Gang Zhou

2014-01-01

Full Text Available The purpose of the present paper is to investigate optimality conditions and duality theory in fuzzy number quadratic programming (FNQP in which the objective function is fuzzy quadratic function with fuzzy number coefficients and the constraint set is fuzzy linear functions with fuzzy number coefficients. Firstly, the equivalent quadratic programming of FNQP is presented by utilizing a linear ranking function and the dual of fuzzy number quadratic programming primal problems is introduced. Secondly, we present optimality conditions for fuzzy number quadratic programming. We then prove several duality results for fuzzy number quadratic programming problems with fuzzy coefficients.

Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes

Energy Technology Data Exchange (ETDEWEB)

Peng, Bo; Govind, Niranjan; Apra, Edoardo; Klemm, Michael; Hammond, Jeff R.; Kowalski, Karol

2017-02-03

In this paper we apply equation-of-motion coupled cluster (EOMCC) methods in studies of vertical ionization potentials (IP) and electron affinities (EA) for sin- gled walled carbon nanotubes. EOMCC formulations for ionization potentials and electron affinities employing excitation manifolds spanned by single and double ex- citations (IP/EA-EOMCCSD) are used to study IPs and EAs of nanotubes as a function of nanotube length. Several armchair nanotubes corresponding to C20nH20 models with n = 2 - 6 have been used in benchmark calculations. In agreement with previous studies, we demonstrate that the electronegativity of C20nH20 systems remains, to a large extent, independent of nanotube length. We also compare IP/EA- EOMCCSD results with those obtained with the coupled cluster models with single and double excitations corrected by perturbative triples, CCSD(T), and density func- tional theory (DFT) using global and range-separated hybrid exchange-correlation functionals.

A Finite Continuation Algorithm for Bound Constrained Quadratic Programming

DEFF Research Database (Denmark)

Madsen, Kaj; Nielsen, Hans Bruun; Pinar, Mustafa C.

1999-01-01

The dual of the strictly convex quadratic programming problem with unit bounds is posed as a linear $\\ell_1$ minimization problem with quadratic terms. A smooth approximation to the linear $\\ell_1$ function is used to obtain a parametric family of piecewise-quadratic approximation problems...

Communication: spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: a measure for the coupling contribution.

Science.gov (United States)

Mück, Leonie Anna; Gauss, Jürgen

2012-03-21

We propose a generally applicable scheme for the computation of spin-orbit (SO) splittings in degenerate open-shell systems using multireference coupled-cluster (MRCC) theory. As a specific method, Mukherjee's version of MRCC (Mk-MRCC) in conjunction with an effective mean-field SO operator is adapted for this purpose. An expression for the SO splittings is derived and implemented using Mk-MRCC analytic derivative techniques. The computed SO splittings are found to be in satisfactory agreement with experimental data. Due to the symmetry properties of the SO operator, SO splittings can be considered a quality measure for the coupling between reference determinants in Jeziorski-Monkhorst based MRCC methods. We thus provide numerical insights into the coupling problem of Mk-MRCC theory. © 2012 American Institute of Physics

Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods

International Nuclear Information System (INIS)

Shen Jun; Piecuch, Piotr

2012-01-01

Graphical abstract: The key ideas behind biorthogonal moment expansions in coupled-cluster theory are discussed. Methods that enable merging active-space and renormalized coupled-cluster approaches are proposed and tested. Abstract: After reviewing recent progress in the area of the development of coupled-cluster (CC) methods for quasi-degenerate electronic states that are characterized by stronger non-dynamical correlation effects, including new generations of single- and multi-reference approaches that can handle bond breaking and excited states dominated by many-electron transitions, and after discussing the key elements of the left-eigenstate completely renormalized (CR) CC and equation-of-motion (EOM) CC methods, and the underlying biorthogonal method of moments of CC (MMCC) equations [P. Piecuch, M. Włoch, J. Chem. Phys. 123 (2005) 224105; P. Piecuch, M. Włoch, J.R. Gour, A. Kinal, Chem. Phys. Lett. 418 (2006) 467; M. Włoch, M.D. Lodriguito, P. Piecuch, J.R. Gour, Mol. Phys. 104 (2006) 2149], it is argued that it is beneficial to merge the CR-CC/EOMCC and active-space CC/EOMCC [P. Piecuch, Mol. Phys. 108 (2010) 2987, and references therein] theories into a single formalism. In order to accomplish this goal, the biorthogonal MMCC theory, which provides compact many-body expansions for the differences between the full configuration interaction and CC or, in the case of excited states, EOMCC energies, obtained using conventional truncation schemes in the cluster operator T and excitation operator R μ , is generalized, so that one can correct the CC/EOMCC energies obtained with arbitrary truncations in T and R μ for the selected many-electron correlation effects of interest. The resulting moment expansions, defining the new, Flexible MMCC (Flex-MMCC) formalism, and the ensuing CC(P; Q) hierarchy, proposed in the present work, enable one to correct energies obtained in the active-space CC and EOMCC calculations, in which one selects higher many

Quadratic programming with fuzzy parameters: A membership function approach

International Nuclear Information System (INIS)

Liu, S.-T.

2009-01-01

Quadratic programming has been widely applied to solving real world problems. The conventional quadratic programming model requires the parameters to be known constants. In the real world, however, the parameters are seldom known exactly and have to be estimated. This paper discusses the fuzzy quadratic programming problems where the cost coefficients, constraint coefficients, and right-hand sides are represented by convex fuzzy numbers. Since the parameters in the program are fuzzy numbers, the derived objective value is a fuzzy number as well. Using Zadeh's extension principle, a pair of two-level mathematical programs is formulated to calculate the upper bound and lower bound of the objective values of the fuzzy quadratic program. Based on the duality theorem and by applying the variable transformation technique, the pair of two-level mathematical programs is transformed into a family of conventional one-level quadratic programs. Solving the pair of quadratic programs produces the fuzzy objective values of the problem. An example illustrates method proposed in this paper.

Properties of coupled-cluster equations originating in excitation sub-algebras

Science.gov (United States)

Kowalski, Karol

2018-03-01

In this paper, we discuss properties of single-reference coupled cluster (CC) equations associated with the existence of sub-algebras of excitations that allow one to represent CC equations in a hybrid fashion where the cluster amplitudes associated with these sub-algebras can be obtained by solving the corresponding eigenvalue problem. For closed-shell formulations analyzed in this paper, the hybrid representation of CC equations provides a natural way for extending active-space and seniority number concepts to provide an accurate description of electron correlation effects. Moreover, a new representation can be utilized to re-define iterative algorithms used to solve CC equations, especially for tough cases defined by the presence of strong static and dynamical correlation effects. We will also explore invariance properties associated with excitation sub-algebras to define a new class of CC approximations referred to in this paper as the sub-algebra-flow-based CC methods. We illustrate the performance of these methods on the example of ground- and excited-state calculations for commonly used small benchmark systems.

Stability in quadratic torsion theories

Energy Technology Data Exchange (ETDEWEB)

Vasilev, Teodor Borislavov; Cembranos, Jose A.R.; Gigante Valcarcel, Jorge; Martin-Moruno, Prado [Universidad Complutense de Madrid, Departamento de Fisica Teorica I, Madrid (Spain)

2017-11-15

We revisit the definition and some of the characteristics of quadratic theories of gravity with torsion. We start from a Lagrangian density quadratic in the curvature and torsion tensors. By assuming that General Relativity should be recovered when the torsion vanishes and investigating the behaviour of the vector and pseudo-vector torsion fields in the weak-gravity regime, we present a set of necessary conditions for the stability of these theories. Moreover, we explicitly obtain the gravitational field equations using the Palatini variational principle with the metricity condition implemented via a Lagrange multiplier. (orig.)

Stability in quadratic torsion theories

International Nuclear Information System (INIS)

Vasilev, Teodor Borislavov; Cembranos, Jose A.R.; Gigante Valcarcel, Jorge; Martin-Moruno, Prado

2017-01-01

We revisit the definition and some of the characteristics of quadratic theories of gravity with torsion. We start from a Lagrangian density quadratic in the curvature and torsion tensors. By assuming that General Relativity should be recovered when the torsion vanishes and investigating the behaviour of the vector and pseudo-vector torsion fields in the weak-gravity regime, we present a set of necessary conditions for the stability of these theories. Moreover, we explicitly obtain the gravitational field equations using the Palatini variational principle with the metricity condition implemented via a Lagrange multiplier. (orig.)

An example in linear quadratic optimal control

NARCIS (Netherlands)

Weiss, George; Zwart, Heiko J.

1998-01-01

We construct a simple example of a quadratic optimal control problem for an infinite-dimensional linear system based on a shift semigroup. This system has an unbounded control operator. The cost is quadratic in the input and the state, and the weighting operators are bounded. Despite its extreme

Linked cluster expansion in the SU(2) lattice Higgs model at strong gauge coupling

International Nuclear Information System (INIS)

Wagner, C.E.M.

1989-01-01

A linked cluster expansion is developed for the β=0 limit of the SU(2) Higgs model. This method, when combined with strong gauge coupling expansions, is used to obtain the phase transition surface and the behaviour of scalar and vector masses in the lattice regularized theory. The method, in spite of the low order of truncation of the series applied, gives a reasonable agreement with Monte Carlo data for the phase transition surface and a qualitatively good picture of the behaviour of Higgs, glueball and gauge vector boson masses, in the strong coupling limit. Some limitations of the method are discussed, and an intuitive picture of the different behaviour for small and large bare self-coupling λ is given. (orig.)

Context-sensitive intra-class clustering

KAUST Repository

Yu, Yingwei

2014-02-01

This paper describes a new semi-supervised learning algorithm for intra-class clustering (ICC). ICC partitions each class into sub-classes in order to minimize overlap across clusters from different classes. This is achieved by allowing partitioning of a certain class to be assisted by data points from other classes in a context-dependent fashion. The result is that overlap across sub-classes (both within- and across class) is greatly reduced. ICC is particularly useful when combined with algorithms that assume that each class has a unimodal Gaussian distribution (e.g., Linear Discriminant Analysis (LDA), quadratic classifiers), an assumption that is not always true in many real-world situations. ICC can help partition non-Gaussian, multimodal distributions to overcome such a problem. In this sense, ICC works as a preprocessor. Experiments with our ICC algorithm on synthetic data sets and real-world data sets indicated that it can significantly improve the performance of LDA and quadratic classifiers. We expect our approach to be applicable to a broader class of pattern recognition problems where class-conditional densities are significantly non-Gaussian or multi-modal. © 2013 Elsevier Ltd. All rights reserved.

Radiotherapy treatment planning linear-quadratic radiobiology

CERN Document Server

Chapman, J Donald

2015-01-01

Understand Quantitative Radiobiology from a Radiation Biophysics PerspectiveIn the field of radiobiology, the linear-quadratic (LQ) equation has become the standard for defining radiation-induced cell killing. Radiotherapy Treatment Planning: Linear-Quadratic Radiobiology describes tumor cell inactivation from a radiation physics perspective and offers appropriate LQ parameters for modeling tumor and normal tissue responses.Explore the Latest Cell Killing Numbers for Defining Iso-Effective Cancer TreatmentsThe book compil

Quadratic gravity in first order formalism

Energy Technology Data Exchange (ETDEWEB)

Alvarez, Enrique; Anero, Jesus; Gonzalez-Martin, Sergio, E-mail: enrique.alvarez@uam.es, E-mail: jesusanero@gmail.com, E-mail: sergio.gonzalez.martin@uam.es [Departamento de Física Teórica and Instituto de Física Teórica (IFT-UAM/CSIC), Universidad Autónoma de Madrid, Cantoblanco, 28049, Madrid (Spain)

2017-10-01

We consider the most general action for gravity which is quadratic in curvature. In this case first order and second order formalisms are not equivalent. This framework is a good candidate for a unitary and renormalizable theory of the gravitational field; in particular, there are no propagators falling down faster than 1/ p {sup 2}. The drawback is of course that the parameter space of the theory is too big, so that in many cases will be far away from a theory of gravity alone. In order to analyze this issue, the interaction between external sources was examined in some detail. We find that this interaction is conveyed mainly by propagation of the three-index connection field. At any rate the theory as it stands is in the conformal invariant phase; only when Weyl invariance is broken through the coupling to matter can an Einstein-Hilbert term (and its corresponding Planck mass scale) be generated by quantum corrections.

Implementation of the multireference Brillouin-Wigner and Mukherjee’s coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

Energy Technology Data Exchange (ETDEWEB)

Bhaskaran-Nair, Kiran; Brabec, Jiri; Apra, Edoardo; van Dam, Hubertus JJ; Pittner, Jiri; Kowalski, Karol

2012-09-07

In this paper we discuss the performance of the non-iterative State-Specific Mul- tireference Coupled Cluster (SS-MRCC) methods accounting for the effect of triply excited cluster amplitudes. The corrections to the Brillouin-Wigner and Mukherjee MRCC models based on the manifold of singly and doubly excited cluster amplitudes (BW-MRCCSD and Mk-MRCCSD, respectively) are tested and compared with the exact full configuration interaction results (FCI) for small systems (H2O, N2, and Be3). For larger systems (naphthyne isomers and -carotene), the non-iterative BW-MRCCSD(T) and Mk-MRCCSD(T) methods are compared against the results obtained with the single reference coupled cluster methods. We also report on the parallel performance of the non-iterative implementations based on the use of pro- cessor groups.

Quantum optics meets quantum many-body theory: coupled cluster studies of the Rabi Hamiltonian

International Nuclear Information System (INIS)

Davidson, N.J.; Quick, R.M.; Bishop, R.F.; Van der Walt, D.M.

1998-01-01

The Rabi Hamiltonian, which describes the interaction of a single mode of electromagnetic radiation with a two level system, is one of the fundamental models of quantum optics. It is also of wider interest as it provides a generic model for the interaction of bosons and fermions. To allow for a systematic analysis of the strong-coupling behaviour, we have applied the coupled cluster method (CCM) to the Rabi Hamiltonian to calculate its spectrum. We find strong evidence for the existence of a somewhat subtle quantum phase transition. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)

Quadratic independence of coordinate functions of certain ...

Indian Academy of Sciences (India)

... are `quadratically independent' in the sense that they do not satisfy any nontrivial homogeneous quadratic relations among them. Using this, it is proved that there is no genuine compact quantum group which can act faithfully on C ( M ) such that the action leaves invariant the linear span of the above coordinate functions.

Controllable nonlinearity in a dual-coupling optomechanical system under a weak-coupling regime

Science.gov (United States)

Zhu, Gui-Lei; Lü, Xin-You; Wan, Liang-Liang; Yin, Tai-Shuang; Bin, Qian; Wu, Ying

2018-03-01

Strong quantum nonlinearity gives rise to many interesting quantum effects and has wide applications in quantum physics. Here we investigate the quantum nonlinear effect of an optomechanical system (OMS) consisting of both linear and quadratic coupling. Interestingly, a controllable optomechanical nonlinearity is obtained by applying a driving laser into the cavity. This controllable optomechanical nonlinearity can be enhanced into a strong coupling regime, even if the system is initially in the weak-coupling regime. Moreover, the system dissipation can be suppressed effectively, which allows the appearance of phonon sideband and photon blockade effects in the weak-coupling regime. This work may inspire the exploration of a dual-coupling optomechanical system as well as its applications in modern quantum science.

Vibronic coupling in molecular crystals: A Franck-Condon Herzberg-Teller model of H-aggregate fluorescence based on quantum chemical cluster calculations

Energy Technology Data Exchange (ETDEWEB)

Wykes, M., E-mail: mikewykes@gmail.com; Parambil, R.; Gierschner, J. [Madrid Institute for Advanced Studies, IMDEA Nanoscience, Calle Faraday 9, Campus Cantoblanco, 28049 Madrid (Spain); Beljonne, D. [Laboratory for Chemistry of Novel Materials, University of Mons, Place du Parc 20, 7000 Mons (Belgium)

2015-09-21

Here, we present a general approach to treating vibronic coupling in molecular crystals based on atomistic simulations of large clusters. Such clusters comprise model aggregates treated at the quantum chemical level embedded within a realistic environment treated at the molecular mechanics level. As we calculate ground and excited state equilibrium geometries and vibrational modes of model aggregates, our approach is able to capture effects arising from coupling to intermolecular degrees of freedom, absent from existing models relying on geometries and normal modes of single molecules. Using the geometries and vibrational modes of clusters, we are able to simulate the fluorescence spectra of aggregates for which the lowest excited state bears negligible oscillator strength (as is the case, e.g., ideal H-aggregates) by including both Franck-Condon (FC) and Herzberg-Teller (HT) vibronic transitions. The latter terms allow the adiabatic excited state of the cluster to couple with vibrations in a perturbative fashion via derivatives of the transition dipole moment along nuclear coordinates. While vibronic coupling simulations employing FC and HT terms are well established for single-molecules, to our knowledge this is the first time they are applied to molecular aggregates. Here, we apply this approach to the simulation of the low-temperature fluorescence spectrum of para-distyrylbenzene single-crystal H-aggregates and draw comparisons with coarse-grained Frenkel-Holstein approaches previously extensively applied to such systems.

The outbreak of SARS mirrored by bibliometric mapping: Combining bibliographic coupling with the complete link cluster method

Directory of Open Access Journals (Sweden)

Bo Jarneving

2007-01-01

Full Text Available In this study a novel method of science mapping is presented which combines bibliographic coupling, as a measure of document-document similarity, with an agglomerative hierarchical cluster method. The focus in this study is on the mapping of so called ‘core documents’, a concept presented first in 1995 by Glänzel and Czerwon. The term ‘core document’ denote documents that have a central position in the research front in terms of many and strong bibliographic coupling links. The identification and mapping of core documents usually requires a large multidisciplinary research setting and in this study the 2003 volume of the Science Citation Index was applied. From this database, a sub-set of core documents reporting on the outbreak of SARS in 2002 was chosen for the demonstration of the application of this mapping method. It was demonstrated that the method, in this case, successfully identified interpretable research themes and that iterative clustering on two subsequent levels of cluster agglomeration may provide with useful and current information.

Exact cancellation of quadratic divergences in top condensation models

International Nuclear Information System (INIS)

Blumhofer, A.

1995-01-01

We discuss the hierarchy problem and the corresponding quadratic divergences in the top mode Standard Model. Quadratic divergences appear at each order 1/N c since fermionic and bosonic contributions are of different order 1/N c . It is shown that the full dynamical system to all orders in 1/N c admits a solution, where the sum of all quadratic divergent contributions disappears. ((orig.))

Sibling curves of quadratic polynomials | Wiggins | Quaestiones ...

African Journals Online (AJOL)

Sibling curves were demonstrated in [1, 2] as a novel way to visualize the zeroes of real valued functions. In [3] it was shown that a polynomial of degree n has n sibling curves. This paper focuses on the algebraic and geometric properites of the sibling curves of real and complex quadratic polynomials. Key words: Quadratic ...

Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

Science.gov (United States)

Faraji, Shirin; Matsika, Spiridoula; Krylov, Anna I.

2018-01-01

We report an implementation of non-adiabatic coupling (NAC) forces within the equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) framework via the summed-state approach. Using illustrative examples, we compare NAC forces computed with EOM-CCSD and multi-reference (MR) wave functions (for selected cases, we also consider configuration interaction singles). In addition to the magnitude of the NAC vectors, we analyze their direction, which is important for the calculations of the rate of non-adiabatic transitions. Our benchmark set comprises three doublet radical-cations (hexatriene, cyclohexadiene, and uracil), neutral uracil, and sodium-doped ammonia clusters. When the characters of the states agree among different methods, we observe good agreement between the respective NAC vectors, both in the Franck-Condon region and away. In the cases of large discrepancies between the methods, the disagreement can be attributed to the difference in the states' character, which, in some cases, is very sensitive to electron correlation, both within single-reference and multi-reference frameworks. The numeric results confirm that the accuracy of NAC vectors depends critically on the quality of the underlying wave functions. Within their domain of applicability, EOM-CC methods provide a viable alternative to MR approaches.

Gain scheduled linear quadratic control for quadcopter

Science.gov (United States)

Okasha, M.; Shah, J.; Fauzi, W.; Hanouf, Z.

2017-12-01

This study exploits the dynamics and control of quadcopters using Linear Quadratic Regulator (LQR) control approach. The quadcopter’s mathematical model is derived using the Newton-Euler method. It is a highly manoeuvrable, nonlinear, coupled with six degrees of freedom (DOF) model, which includes aerodynamics and detailed gyroscopic moments that are often ignored in many literatures. The linearized model is obtained and characterized by the heading angle (i.e. yaw angle) of the quadcopter. The adopted control approach utilizes LQR method to track several reference trajectories including circle and helix curves with significant variation in the yaw angle. The controller is modified to overcome difficulties related to the continuous changes in the operating points and eliminate chattering and discontinuity that is observed in the control input signal. Numerical non-linear simulations are performed using MATLAB and Simulink to illustrate to accuracy and effectiveness of the proposed controller.

Carbon X-ray absorption spectra of fluoroethenes and acetone: a study at the coupled cluster, density functional, and static-exchange levels of theory.

Science.gov (United States)

Fransson, Thomas; Coriani, Sonia; Christiansen, Ove; Norman, Patrick

2013-03-28

Near carbon K-edge X-ray absorption fine structure spectra of a series of fluorine-substituted ethenes and acetone have been studied using coupled cluster and density functional theory (DFT) polarization propagator methods, as well as the static-exchange (STEX) approach. With the complex polarization propagator (CPP) implemented in coupled cluster theory, relaxation effects following the excitation of core electrons are accounted for in terms of electron correlation, enabling a systematic convergence of these effects with respect to electron excitations in the cluster operator. Coupled cluster results have been used as benchmarks for the assessment of propagator methods in DFT as well as the state-specific static-exchange approach. Calculations on ethene and 1,1-difluoroethene illustrate the possibility of using nonrelativistic coupled cluster singles and doubles (CCSD) with additional effects of electron correlation and relativity added as scalar shifts in energetics. It has been demonstrated that CPP spectra obtained with coupled cluster singles and approximate doubles (CC2), CCSD, and DFT (with a Coulomb attenuated exchange-correlation functional) yield excellent predictions of chemical shifts for vinylfluoride, 1,1-difluoroethene, trifluoroethene, as well as good spectral features for acetone in the case of CCSD and DFT. Following this, CPP-DFT is considered to be a viable option for the calculation of X-ray absorption spectra of larger π-conjugated systems, and CC2 is deemed applicable for chemical shifts but not for studies of fine structure features. The CCSD method as well as the more approximate CC2 method are shown to yield spectral features relating to π∗-resonances in good agreement with experiment, not only for the aforementioned molecules but also for ethene, cis-1,2-difluoroethene, and tetrafluoroethene. The STEX approach is shown to underestimate π∗-peak separations due to spectral compressions, a characteristic which is inherent to this

Development and Application of Single-Referenced Perturbation and Coupled-Cluster Theories for Excited Electronic States

Science.gov (United States)

Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

1997-01-01

Recent work on the development of single-reference perturbation theories for the study of excited electronic states will be discussed. The utility of these methods will be demonstrated by comparison to linear-response coupled-cluster excitation energies. Results for some halogen molecules of interest in stratospheric chemistry will be presented.

Polynomial Similarity Transformation Theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

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

2018-01-03

We present a similarity transformation theory based on a polynomial form of a particle-hole pair excitation operator. In the weakly correlated limit, this polynomial becomes an exponential, leading to coupled cluster doubles. In the opposite strongly correlated limit, the polynomial becomes an extended Bessel expansion and yields the projected BCS wavefunction. In between, we interpolate using a single parameter. The e ective Hamiltonian is non-hermitian and this Polynomial Similarity Transformation Theory follows the philosophy of traditional coupled cluster, left projecting the transformed Hamiltonian onto subspaces of the Hilbert space in which the wave function variance is forced to be zero. Similarly, the interpolation parameter is obtained through minimizing the next residual in the projective hierarchy. We rationalize and demonstrate how and why coupled cluster doubles is ill suited to the strongly correlated limit whereas the Bessel expansion remains well behaved. The model provides accurate wave functions with energy errors that in its best variant are smaller than 1% across all interaction stengths. The numerical cost is polynomial in system size and the theory can be straightforwardly applied to any realistic Hamiltonian.

Solitons in quadratic nonlinear photonic crystals

DEFF Research Database (Denmark)

Corney, Joel Frederick; Bang, Ole

2001-01-01

We study solitons in one-dimensional quadratic nonlinear photonic crystals with modulation of both the linear and nonlinear susceptibilities. We derive averaged equations that include induced cubic nonlinearities, which can be defocusing, and we numerically find previously unknown soliton families....... Because of these induced cubic terms, solitons still exist even when the effective quadratic nonlinearity vanishes and conventional theory predicts that there can be no soliton. We demonstrate that both bright and dark forms of these solitons can propagate stably....

Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions.

Science.gov (United States)

Eriksen, Janus J; Matthews, Devin A; Jørgensen, Poul; Gauss, Jürgen

2016-05-21

The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T-n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T-n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T-n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.

Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions

Energy Technology Data Exchange (ETDEWEB)

Eriksen, Janus J., E-mail: janusje@chem.au.dk; Jørgensen, Poul [qLEAP Center for Theoretical Chemistry, Department of Chemistry, Aarhus University, DK-8000 Aarhus C (Denmark); Matthews, Devin A. [The Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712 (United States); Gauss, Jürgen [Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, D-55128 Mainz (Germany)

2016-05-21

The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T–n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T–n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T–n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.

Fermionic particles with positron-dependent mass in the presence of inversely quadratic Yukawa potential and tensor interaction

International Nuclear Information System (INIS)

Bahar, M.K.; Yasuk, F.

2013-01-01

Approximate solutions of the Dirac equation with positron-dependent mass are presented for the inversely quadratic Yukawa potential and Coulomb-like tensor interaction by using the asymptotic iteration method. The energy eigenvalues and the corresponding normalized eigenfunctions are obtained in the case of positron-dependent mass and arbitrary spin-orbit quantum number k state and approximation on the spin-orbit coupling term. (author)

Quadratic tracer dynamical models tobacco growth

International Nuclear Information System (INIS)

Qiang Jiyi; Hua Cuncai; Wang Shaohua

2011-01-01

In order to study the non-uniformly transferring process of some tracer dosages, we assume that the absorption of some tracer by tobacco is a quadratic function of the tracer quantity of the tracer in the case of fast absorption, whereas the exclusion of the tracer from tobacco is a linear function of the tracer quantity in the case of slow exclusion, after the tracer is introduced into tobacco once at zero time. A single-compartment quadratic dynamical model of Logistic type is established for the leaves of tobacco. Then, a two-compartment quadratic dynamical model is established for leaves and calms of the tobacco. Qualitative analysis of the models shows that the tracer applied to the leaves of the tobacco is excluded finally; however, the tracer stays at the tobacco for finite time. Two methods are also given for computing the parameters in the models. Finally, the results of the models are verified by the 32 P experiment for the absorption of tobacco. (authors)

Coupled Hartree-Fock calculation of {sup 13} C shielding tensors in acetylene clusters

Energy Technology Data Exchange (ETDEWEB)

Craw, John Simon; Nascimento, Marco Antonio Chaer [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Quimica

1992-12-31

The coupled Hartree Fock method has been used to calculate ab-initio carbon magnetic shielding tensors for small clusters of acetylene molecules. The chemical shift increases from the monomer to the dimer and trimer. This is mainly due increased diamagnetism, which is imperfectly cancelled by increased paramagnetism due to loss of axial symmetry. Anisotropic effects are shown to be small in both the dimer the and trimer. (author) 21 refs., 2 tabs.

Spectroscopy of particle-phonon coupled states in $^{133}$Sb by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li

CERN Multimedia

We propose to investigate, with MINIBALL coupled to T-REX, the one-valence-proton $^{133}$Sb nucleus by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li. The excited $^{133}$Sb will be populated by transfer of a triton into $^{132}$Sn, followed by the emission of an $\\alpha$-particle (detected in T-REX) and 2 neutrons. The aim of the experiment is to locate states arising from the coupling of the valence proton of $^{133}$Sb to the collective low-lying phonon excitations of $^{132}$Sn (in particular the 3$^−$). According to calculations in the weak-coupling approach, these states lie in the 4$\\, - \\,$5 MeV excitation energy region and in the spin interval 1/2$\\, - \\,$ 19/2, i.e., in the region populated by the cluster transfer reaction. The results will be used to perform advanced tests of different types of nuclear interactions, usually employed in the description of particle-phonon coupled excitations. States arising from couplings of the proton with simpler core excitations, involving few nucleons...

Graphical Solution of the Monic Quadratic Equation with Complex Coefficients

Science.gov (United States)

Laine, A. D.

2015-01-01

There are many geometrical approaches to the solution of the quadratic equation with real coefficients. In this article it is shown that the monic quadratic equation with complex coefficients can also be solved graphically, by the intersection of two hyperbolas; one hyperbola being derived from the real part of the quadratic equation and one from…

A perturbative solution for gravitational waves in quadratic gravity

International Nuclear Information System (INIS)

Neto, Edgard C de Rey; Aguiar, Odylio D; Araujo, Jose C N de

2003-01-01

We find a gravitational wave solution to the linearized version of quadratic gravity by adding successive perturbations to Einstein's linearized field equations. We show that only the Ricci-squared quadratic invariant contributes to give a different solution to those found in Einstein's general relativity. The perturbative solution is written as a power series in the β parameter, the coefficient of the Ricci-squared term in the quadratic gravitational action. We also show that, for monochromatic waves of a given angular frequency ω, the perturbative solution can be summed out to give an exact solution to the linearized version of quadratic gravity, for 0 1/2 . This result may lead to implications for the predictions for gravitational wave backgrounds of cosmological origin

Semi-Supervised Half-Quadratic Nonnegative Matrix Factorization for Face Recognition

KAUST Repository

Alghamdi, Masheal M.

2014-05-01

Face recognition is a challenging problem in computer vision. Difficulties such as slight differences between similar faces of different people, changes in facial expressions, light and illumination condition, and pose variations add extra complications to the face recognition research. Many algorithms are devoted to solving the face recognition problem, among which the family of nonnegative matrix factorization (NMF) algorithms has been widely used as a compact data representation method. Different versions of NMF have been proposed. Wang et al. proposed the graph-based semi-supervised nonnegative learning (S2N2L) algorithm that uses labeled data in constructing intrinsic and penalty graph to enforce separability of labeled data, which leads to a greater discriminating power. Moreover the geometrical structure of labeled and unlabeled data is preserved through using the smoothness assumption by creating a similarity graph that conserves the neighboring information for all labeled and unlabeled data. However, S2N2L is sensitive to light changes, illumination, and partial occlusion. In this thesis, we propose a Semi-Supervised Half-Quadratic NMF (SSHQNMF) algorithm that combines the benefits of S2N2L and the robust NMF by the half- quadratic minimization (HQNMF) algorithm.Our algorithm improves upon the S2N2L algorithm by replacing the Frobenius norm with a robust M-Estimator loss function. A multiplicative update solution for our SSHQNMF algorithmis driven using the half- 4 quadratic (HQ) theory. Extensive experiments on ORL, Yale-A and a subset of the PIE data sets for nine M-estimator loss functions for both SSHQNMF and HQNMF algorithms are investigated, and compared with several state-of-the-art supervised and unsupervised algorithms, along with the original S2N2L algorithm in the context of classification, clustering, and robustness against partial occlusion. The proposed algorithm outperformed the other algorithms. Furthermore, SSHQNMF with Maximum Correntropy

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations

Science.gov (United States)

Sørensen, L. K.; Fleig, T.; Olsen, J.

2009-08-01

Aimed at obtaining complete and highly accurate potential energy surfaces for molecules containing heavy elements, we present a new general-order coupled cluster method which can be applied in the framework of the spin-free Dirac formalism. As an initial application we present a systematic study of electron correlation and relativistic effects on the spectroscopic and electric properties of the LiCs molecule in its electronic ground state. In particular, we closely investigate the importance of excitations higher than coupled cluster doubles, spin-free and spin-dependent relativistic effects and the correlation of outer-core electrons on the equilibrium bond length, the harmonic vibrational frequency, the dissociation energy, the dipole moment and the static electric dipole polarizability. We demonstrate that our new implementation allows for highly accurate calculations not only in the bonding region but also along the complete potential curve. The quality of our results is demonstrated by a vibrational analysis where an almost complete set of vibrational levels has been calculated accurately.

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations

International Nuclear Information System (INIS)

Soerensen, L K; Fleig, T; Olsen, J

2009-01-01

Aimed at obtaining complete and highly accurate potential energy surfaces for molecules containing heavy elements, we present a new general-order coupled cluster method which can be applied in the framework of the spin-free Dirac formalism. As an initial application we present a systematic study of electron correlation and relativistic effects on the spectroscopic and electric properties of the LiCs molecule in its electronic ground state. In particular, we closely investigate the importance of excitations higher than coupled cluster doubles, spin-free and spin-dependent relativistic effects and the correlation of outer-core electrons on the equilibrium bond length, the harmonic vibrational frequency, the dissociation energy, the dipole moment and the static electric dipole polarizability. We demonstrate that our new implementation allows for highly accurate calculations not only in the bonding region but also along the complete potential curve. The quality of our results is demonstrated by a vibrational analysis where an almost complete set of vibrational levels has been calculated accurately.

Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes

International Nuclear Information System (INIS)

Tecmer, Paweł; Visscher, Lucas; Severo Pereira Gomes, André; Knecht, Stefan

2014-01-01

We present a study of the electronic structure of the [UO 2 ] + , [UO 2 ] 2 + , [UO 2 ] 3 + , NUO, [NUO] + , [NUO] 2 + , [NUN] − , NUN, and [NUN] + molecules with the intermediate Hamiltonian Fock-space coupled cluster method. The accuracy of mean-field approaches based on the eXact-2-Component Hamiltonian to incorporate spin–orbit coupling and Gaunt interactions are compared to results obtained with the Dirac–Coulomb Hamiltonian. Furthermore, we assess the reliability of calculations employing approximate density functionals in describing electronic spectra and quantities useful in rationalizing Uranium (VI) species reactivity (hardness, electronegativity, and electrophilicity)

Communication: Relativistic Fock-space coupled cluster study of small building blocks of larger uranium complexes

Science.gov (United States)

Tecmer, Paweł; Severo Pereira Gomes, André; Knecht, Stefan; Visscher, Lucas

2014-07-01

We present a study of the electronic structure of the [UO2]+, [UO2]2 +, [UO2]3 +, NUO, [NUO]+, [NUO]2 +, [NUN]-, NUN, and [NUN]+ molecules with the intermediate Hamiltonian Fock-space coupled cluster method. The accuracy of mean-field approaches based on the eXact-2-Component Hamiltonian to incorporate spin-orbit coupling and Gaunt interactions are compared to results obtained with the Dirac-Coulomb Hamiltonian. Furthermore, we assess the reliability of calculations employing approximate density functionals in describing electronic spectra and quantities useful in rationalizing Uranium (VI) species reactivity (hardness, electronegativity, and electrophilicity).

Solutions of the Schrödinger equation with inversely quadratic Hellmann plus inversely quadratic potential using Nikiforov-Uvarov method

International Nuclear Information System (INIS)

Ita, B. I.; Ehi-Eromosele, C. O.; Edobor-Osoh, A.; Ikeuba, A. I.

2014-01-01

By using the Nikiforov-Uvarov (NU) method, the Schrödinger equation has been solved for the interaction of inversely quadratic Hellmann (IQHP) and inversely quadratic potential (IQP) for any angular momentum quantum number, l. The energy eigenvalues and their corresponding eigenfunctions have been obtained in terms of Laguerre polynomials. Special cases of the sum of these potentials have been considered and their energy eigenvalues also obtained

Bound constrained quadratic programming via piecewise

DEFF Research Database (Denmark)

Madsen, Kaj; Nielsen, Hans Bruun; Pinar, M. C.

1999-01-01

of a symmetric, positive definite matrix, and is solved by Newton iteration with line search. The paper describes the algorithm and its implementation including estimation of lambda/sub 1/ , how to get a good starting point for the iteration, and up- and downdating of Cholesky factorization. Results of extensive......We consider the strictly convex quadratic programming problem with bounded variables. A dual problem is derived using Lagrange duality. The dual problem is the minimization of an unconstrained, piecewise quadratic function. It involves a lower bound of lambda/sub 1/ , the smallest eigenvalue...

AUTOJOM, Quadratic Equation Coefficient for Conic Volume, Parallelepipeds, Wedges, Pyramids. JOMREAD, Check of 3-D Geometry Structure from Quadratic Surfaces

International Nuclear Information System (INIS)

2005-01-01

Nature of physical problem solved: AUTOJOM is a computer program that will generate the coefficients of any quadratic equation used to define conic volumes and also the coefficients of the planes needed to define parallelepipeds, wedges, and pyramids. JOMREAD is a computer code to check any 3D geometry composed of and constructed with quadratic surfaces

The stability of quadratic-reciprocal functional equation

Science.gov (United States)

Song, Aimin; Song, Minwei

2018-04-01

A new quadratic-reciprocal functional equation f ((k +1 )x +k y )+f ((k +1 )x -k y )=2/f (x )f (y )[(k+1 ) 2f (y )+k2f (x )] [(k+1)2f (y )-k2f (x )] 2 is introduced. The Hyers-Ulam stability for the quadratic-reciprocal functional equations is proved in Banach spaces using the direct method and the fixed point method, respectively.

Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems

Energy Technology Data Exchange (ETDEWEB)

Bhaskaran-Nair, Kiran; Ma, Wenjing; Krishnamoorthy, Sriram; Villa, Oreste; van Dam, Hubertus JJ; Apra, Edoardo; Kowalski, Karol

2013-04-09

A novel parallel algorithm for non-iterative multireference coupled cluster (MRCC) theories, which merges recently introduced reference-level parallelism (RLP) [K. Bhaskaran-Nair, J.Brabec, E. Aprà, H.J.J. van Dam, J. Pittner, K. Kowalski, J. Chem. Phys. 137, 094112 (2012)] with the possibility of accelerating numerical calculations using graphics processing unit (GPU) is presented. We discuss the performance of this algorithm on the example of the MRCCSD(T) method (iterative singles and doubles and perturbative triples), where the corrections due to triples are added to the diagonal elements of the MRCCSD (iterative singles and doubles) effective Hamiltonian matrix. The performance of the combined RLP/GPU algorithm is illustrated on the example of the Brillouin-Wigner (BW) and Mukherjee (Mk) state-specific MRCCSD(T) formulations.

Cyclic subgroups in class groups of real quadratic fields

International Nuclear Information System (INIS)

Washington, L.C.; Zhang Xianke.

1994-01-01

While examining the class numbers of the real quadratic field Q(√n 2 + 3n + 9), we observed that the class number is often a multiple of 3. There is a simple explanation for this, namely -27 = (2n + 3) 2 - 4(n 2 + 3n + 9), so the cubes of the prime ideals above 3 are principal. If the prime ideals themselves are non-principal then 3 must divide the class number. In the present paper, we study this idea from a couple different directions. In the first section we present a criterion that allows us to show that the ideal class group of a real quadratic field has a cyclic subgroup of a given order n. We then give several families of fields to which this criterion applies, hence in which the ideal class groups contain elements of order n. In the second section, we discuss the situation where there is only a potential element of order p (=an odd prime) in the class group, such as the situation described above. We present a modification of the Cohen-Lenstra heuristics for the probability that in this situation the class number is actually a multiple of p. We also extend this idea to predict how often the potential element of order p is actually non-trivial. Both of these predictions agree fairly well with the numerical data. (author). 14 refs, 2 tabs

Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance

International Nuclear Information System (INIS)

Pal, Sourav; Sajeev, Y.; Vaval, Nayana

2006-01-01

The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e - -C 2 H 4 and e - -Mg

Orthogonal and Scaling Transformations of Quadratic Functions with ...

African Journals Online (AJOL)

In this paper we present a non-singular transformation that can reduce a given quadratic function defined on Rn to another simpler quadratic function and study the impact of the transformation in relation to the problem of minimization of the function. In particular, we construct a non-singular transformation that can reduce a ...

Quadratic Frequency Modulation Signals Parameter Estimation Based on Two-Dimensional Product Modified Parameterized Chirp Rate-Quadratic Chirp Rate Distribution.

Science.gov (United States)

Qu, Zhiyu; Qu, Fuxin; Hou, Changbo; Jing, Fulong

2018-05-19

In an inverse synthetic aperture radar (ISAR) imaging system for targets with complex motion, the azimuth echo signals of the target are always modeled as multicomponent quadratic frequency modulation (QFM) signals. The chirp rate (CR) and quadratic chirp rate (QCR) estimation of QFM signals is very important to solve the ISAR image defocus problem. For multicomponent QFM (multi-QFM) signals, the conventional QR and QCR estimation algorithms suffer from the cross-term and poor anti-noise ability. This paper proposes a novel estimation algorithm called a two-dimensional product modified parameterized chirp rate-quadratic chirp rate distribution (2D-PMPCRD) for QFM signals parameter estimation. The 2D-PMPCRD employs a multi-scale parametric symmetric self-correlation function and modified nonuniform fast Fourier transform-Fast Fourier transform to transform the signals into the chirp rate-quadratic chirp rate (CR-QCR) domains. It can greatly suppress the cross-terms while strengthening the auto-terms by multiplying different CR-QCR domains with different scale factors. Compared with high order ambiguity function-integrated cubic phase function and modified Lv's distribution, the simulation results verify that the 2D-PMPCRD acquires higher anti-noise performance and obtains better cross-terms suppression performance for multi-QFM signals with reasonable computation cost.

Feasibility Study of Parallel Finite Element Analysis on Cluster-of-Clusters

Science.gov (United States)

Muraoka, Masae; Okuda, Hiroshi

With the rapid growth of WAN infrastructure and development of Grid middleware, it's become a realistic and attractive methodology to connect cluster machines on wide-area network for the execution of computation-demanding applications. Many existing parallel finite element (FE) applications have been, however, designed and developed with a single computing resource in mind, since such applications require frequent synchronization and communication among processes. There have been few FE applications that can exploit the distributed environment so far. In this study, we explore the feasibility of FE applications on the cluster-of-clusters. First, we classify FE applications into two types, tightly coupled applications (TCA) and loosely coupled applications (LCA) based on their communication pattern. A prototype of each application is implemented on the cluster-of-clusters. We perform numerical experiments executing TCA and LCA on both the cluster-of-clusters and a single cluster. Thorough these experiments, by comparing the performances and communication cost in each case, we evaluate the feasibility of FEA on the cluster-of-clusters.

A Quadratic Spring Equation

Science.gov (United States)

Fay, Temple H.

2010-01-01

Through numerical investigations, we study examples of the forced quadratic spring equation [image omitted]. By performing trial-and-error numerical experiments, we demonstrate the existence of stability boundaries in the phase plane indicating initial conditions yielding bounded solutions, investigate the resonance boundary in the [omega]…

Effects of quadratic and cubic nonlinearities on a perfectly tuned parametric amplifier

DEFF Research Database (Denmark)

Neumeyer, Stefan; Sorokin, Vladislav; Thomsen, Jon Juel

2016-01-01

We consider the performance of a parametric amplifier with perfect tuning (two-to-one ratio between the parametric and direct excitation frequencies) and quadratic and cubic nonlinearities. A forced Duffing–Mathieu equation with appended quadratic nonlinearity is considered as the model system......, and approximate analytical steady-state solutions and corresponding stabilities are obtained by the method of varying amplitudes. Some general effects of pure quadratic, and mixed quadratic and cubic nonlinearities on parametric amplification are shown. In particular, the effects of mixed quadratic and cubic...... nonlinearities may generate additional amplitude–frequency solutions. In this case an increased response and a more phase sensitive amplitude (phase between excitation frequencies) is obtained, as compared to the case with either pure quadratic or cubic nonlinearity. Furthermore, jumps and bi...

Nonlinear dynamics of quadratically cubic systems

International Nuclear Information System (INIS)

Rudenko, O V

2013-01-01

We propose a modified form of the well-known nonlinear dynamic equations with quadratic relations used to model a cubic nonlinearity. We show that such quadratically cubic equations sometimes allow exact solutions and sometimes make the original problem easier to analyze qualitatively. Occasionally, exact solutions provide a useful tool for studying new phenomena. Examples considered include nonlinear ordinary differential equations and Hopf, Burgers, Korteweg–de Vries, and nonlinear Schrödinger partial differential equations. Some problems are solved exactly in the space–time and spectral representations. Unsolved problems potentially solvable by the proposed approach are listed. (methodological notes)

On orthogonality preserving quadratic stochastic operators

Energy Technology Data Exchange (ETDEWEB)

Mukhamedov, Farrukh; Taha, Muhammad Hafizuddin Mohd [Department of Computational and Theoretical Sciences, Faculty of Science International Islamic University Malaysia, P.O. Box 141, 25710 Kuantan, Pahang Malaysia (Malaysia)

2015-05-15

A quadratic stochastic operator (in short QSO) is usually used to present the time evolution of differing species in biology. Some quadratic stochastic operators have been studied by Lotka and Volterra. In the present paper, we first give a simple characterization of Volterra QSO in terms of absolutely continuity of discrete measures. Further, we introduce a notion of orthogonal preserving QSO, and describe such kind of operators defined on two dimensional simplex. It turns out that orthogonal preserving QSOs are permutations of Volterra QSO. The associativity of genetic algebras generated by orthogonal preserving QSO is studied too.

On orthogonality preserving quadratic stochastic operators

International Nuclear Information System (INIS)

Mukhamedov, Farrukh; Taha, Muhammad Hafizuddin Mohd

2015-01-01

A quadratic stochastic operator (in short QSO) is usually used to present the time evolution of differing species in biology. Some quadratic stochastic operators have been studied by Lotka and Volterra. In the present paper, we first give a simple characterization of Volterra QSO in terms of absolutely continuity of discrete measures. Further, we introduce a notion of orthogonal preserving QSO, and describe such kind of operators defined on two dimensional simplex. It turns out that orthogonal preserving QSOs are permutations of Volterra QSO. The associativity of genetic algebras generated by orthogonal preserving QSO is studied too

Quadratic Twists of Rigid Calabi–Yau Threefolds Over

DEFF Research Database (Denmark)

Gouvêa, Fernando Q.; Kiming, Ian; Yui, Noriko

2013-01-01

of weight 4 on some Γ 0(N). We show that quadratic twisting of a threefold corresponds to twisting the attached newform by quadratic characters and illustrate with a number of obvious and not so obvious examples. The question is motivated by the deeper question of which newforms of weight 4 on some Γ 0(N...

The coupled cluster theory of quantum lattice systems

International Nuclear Information System (INIS)

Bishop, R.; Xian, Yang

1994-01-01

The coupled cluster method is widely recognized nowadays as providing an ab initio method of great versatility, power, and accuracy for handling in a fully microscopic and systematic way the correlations between particles in quantum many-body systems. The number of successful applications made to date within both chemistry and physics is impressive. In this article, the authors review recent extensions of the method which now provide a unifying framework for also dealing with strongly interacting infinite quantum lattice systems described by a Hamiltonian. Such systems include both spin-lattice models (such as the anisotropic Heisenberg or XXZ model) exhibiting interesting magnetic properties, and electron lattice models (such as the tJ and Hubbard models), where the spins or fermions are localized on the sites of a regular lattice; as well as lattice gauge theories [such as the Abelian U(1) model of quantum electrodynamics and non-Abelian SU(n) models]. Illustrative results are given for both the XXZ spin lattice model and U(1) lattice gauge theory

Wave failure at strong coupling in intracellular C a2 + signaling system with clustered channels

Science.gov (United States)

Li, Xiang; Wu, Yuning; Gao, Xuejuan; Cai, Meichun; Shuai, Jianwei

2018-01-01

As an important intracellular signal, C a2 + ions control diverse cellular functions. In this paper, we discuss the C a2 + signaling with a two-dimensional model in which the inositol 1,4,5-trisphosphate (I P3 ) receptor channels are distributed in clusters on the endoplasmic reticulum membrane. The wave failure at large C a2 + diffusion coupling is discussed in detail in the model. We show that with varying model parameters the wave failure is a robust behavior with either deterministic or stochastic channel dynamics. We suggest that the wave failure should be a general behavior in inhomogeneous diffusing systems with clustered excitable regions and may occur in biological C a2 + signaling systems.

On Convex Quadratic Approximation

NARCIS (Netherlands)

den Hertog, D.; de Klerk, E.; Roos, J.

2000-01-01

In this paper we prove the counterintuitive result that the quadratic least squares approximation of a multivariate convex function in a finite set of points is not necessarily convex, even though it is convex for a univariate convex function. This result has many consequences both for the field of

The Model and Quadratic Stability Problem of Buck Converter in DCM

Directory of Open Access Journals (Sweden)

Li Xiaojing

2016-01-01

Full Text Available Quadratic stability is an important performance for control systems. At first, the model of Buck Converter in DCM is built based on the theories of hybrid systems and switched linear systems primarily. Then quadratic stability of SLS and hybrid feedback switching rule are introduced. The problem of Buck Converter’s quadratic stability is researched afterwards. In the end, the simulation analysis and verification are provided. Both experimental verification and theoretical analysis results indicate that the output of Buck Converter in DCM has an excellent performance via quadratic stability control and switching rules.

Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

Czech Academy of Sciences Publication Activity Database

Brabec, Jiří; Bhaskaran-Neir, K.; Kowalski, K.; Pittner, Jiří; van Dam, H. J. J.

2012-01-01

Roč. 542, 23 July (2012), s. 128-133 ISSN 0009-2614 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : multireference Coupled Cluster (MRCC) methods * molecular systems * polycarbenes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.145, year: 2012

Lambda-Lifting in Quadratic Time

DEFF Research Database (Denmark)

Danvy, Olivier; Schultz, Ulrik Pagh

2002-01-01

Lambda-lifting is a program transformation that is used in compilers, partial evaluators, and program transformers. In this article, we show how to reduce its complexity from cubic time to quadratic time, and we present a flow-sensitive lambda-lifter that also works in quadratic time. Lambda-lifting...... that yields the cubic factor in the traditional formulation of lambda-lifting, which is due to Johnsson. This search is carried out by computing a transitive closure. To reduce the complexity of lambda-lifting, we partition the call graph of the source program into strongly connected components, based...... of lambda-lifting from O(n^3) to O(n^2) . where n is the size of the program. Since a lambda-lifter can output programs of size O(n^2), our algorithm is asympotically optimal....

Lambda-Lifting in Quadratic Time

DEFF Research Database (Denmark)

Danvy, Olivier; Schultz, Ulrik Pagh

2003-01-01

Lambda-lifting is a program transformation that is used in compilers, partial evaluators, and program transformers. In this article, we show how to reduce its complexity from cubic time to quadratic time, and we present a flow-sensitive lambda-lifter that also works in quadratic time. Lambda-lifting...... that yields the cubic factor in the traditional formulation of lambda-lifting, which is due to Johnsson. This search is carried out by computing a transitive closure. To reduce the complexity of lambda-lifting, we partition the call graph of the source program into strongly connected components, based...... of lambda-lifting from O(n^3) to O(n^2) . where n is the size of the program. Since a lambda-lifter can output programs of size O(n^2), our algorithm is asympotically optimal....

Lambda-Lifting in Quadratic Time

DEFF Research Database (Denmark)

Danvy, Olivier; Schultz, Ulrik Pagh

2004-01-01

Lambda-lifting is a program transformation that is used in compilers, partial evaluators, and program transformers. In this article, we show how to reduce its complexity from cubic time to quadratic time, and we present a flow-sensitive lambda-lifter that also works in quadratic time. Lambda-lifting...... that yields the cubic factor in the traditional formulation of lambda-lifting, which is due to Johnsson. This search is carried out by computing a transitive closure. To reduce the complexity of lambda-lifting, we partition the call graph of the source program into strongly connected components, based...... of lambda-lifting from O(n^3) to O(n^2) . where n is the size of the program. Since a lambda-lifter can output programs of size O(n^2), our algorithm is asympotically optimal....

Linear quadratic optimization for positive LTI system

Science.gov (United States)

Muhafzan, Yenti, Syafrida Wirma; Zulakmal

2017-05-01

Nowaday the linear quadratic optimization subject to positive linear time invariant (LTI) system constitute an interesting study considering it can become a mathematical model of variety of real problem whose variables have to nonnegative and trajectories generated by these variables must be nonnegative. In this paper we propose a method to generate an optimal control of linear quadratic optimization subject to positive linear time invariant (LTI) system. A sufficient condition that guarantee the existence of such optimal control is discussed.

Nearly Quadratic n-Derivations on Non-Archimedean Banach Algebras

Directory of Open Access Journals (Sweden)

Madjid Eshaghi Gordji

2012-01-01

Full Text Available Let n>1 be an integer, let A be an algebra, and X be an A-module. A quadratic function D:A→X is called a quadratic n-derivation if D(∏i=1nai=D(a1a22⋯an2+a12D(a2a32⋯an2+⋯+a12a22⋯an−12D(an for all a1,...,an∈A. We investigate the Hyers-Ulam stability of quadratic n-derivations from non-Archimedean Banach algebras into non-Archimedean Banach modules by using the Banach fixed point theorem.

Algorithms for sparse, symmetric, definite quadratic lambda-matrix eigenproblems

International Nuclear Information System (INIS)

Scott, D.S.; Ward, R.C.

1981-01-01

Methods are presented for computing eigenpairs of the quadratic lambda-matrix, M lambda 2 + C lambda + K, where M, C, and K are large and sparse, and have special symmetry-type properties. These properties are sufficient to insure that all the eigenvalues are real and that theory analogous to the standard symmetric eigenproblem exists. The methods employ some standard techniques such as partial tri-diagonalization via the Lanczos Method and subsequent eigenpair calculation, shift-and- invert strategy and subspace iteration. The methods also employ some new techniques such as Rayleigh-Ritz quadratic roots and the inertia of symmetric, definite, quadratic lambda-matrices

Comparison between linear quadratic and early time dose models

International Nuclear Information System (INIS)

Chougule, A.A.; Supe, S.J.

1993-01-01

During the 70s, much interest was focused on fractionation in radiotherapy with the aim of improving tumor control rate without producing unacceptable normal tissue damage. To compare the radiobiological effectiveness of various fractionation schedules, empirical formulae such as Nominal Standard Dose, Time Dose Factor, Cumulative Radiation Effect and Tumour Significant Dose, were introduced and were used despite many shortcomings. It has been claimed that a recent linear quadratic model is able to predict the radiobiological responses of tumours as well as normal tissues more accurately. We compared Time Dose Factor and Tumour Significant Dose models with the linear quadratic model for tumour regression in patients with carcinomas of the cervix. It was observed that the prediction of tumour regression estimated by the Tumour Significant Dose and Time Dose factor concepts varied by 1.6% from that of the linear quadratic model prediction. In view of the lack of knowledge of the precise values of the parameters of the linear quadratic model, it should be applied with caution. One can continue to use the Time Dose Factor concept which has been in use for more than a decade as its results are within ±2% as compared to that predicted by the linear quadratic model. (author). 11 refs., 3 figs., 4 tabs

Determining the Optimal Solution for Quadratically Constrained Quadratic Programming (QCQP) on Energy-Saving Generation Dispatch Problem

Science.gov (United States)

Lesmana, E.; Chaerani, D.; Khansa, H. N.

2018-03-01

Energy-Saving Generation Dispatch (ESGD) is a scheme made by Chinese Government in attempt to minimize CO2 emission produced by power plant. This scheme is made related to global warming which is primarily caused by too much CO2 in earth’s atmosphere, and while the need of electricity is something absolute, the power plants producing it are mostly thermal-power plant which produced many CO2. Many approach to fulfill this scheme has been made, one of them came through Minimum Cost Flow in which resulted in a Quadratically Constrained Quadratic Programming (QCQP) form. In this paper, ESGD problem with Minimum Cost Flow in QCQP form will be solved using Lagrange’s Multiplier Method

General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

Science.gov (United States)

Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

2013-11-21

We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

Guises and disguises of quadratic divergences

Energy Technology Data Exchange (ETDEWEB)

Cherchiglia, A.L., E-mail: adriano@fisica.ufmg.br [Departamento de Física, ICEx, Universidade Federal de Minas Gerais, P.O. BOX 702, 30.161-970, Belo Horizonte, MG (Brazil); Vieira, A.R., E-mail: arvieira@fisica.ufmg.br [Departamento de Física, ICEx, Universidade Federal de Minas Gerais, P.O. BOX 702, 30.161-970, Belo Horizonte, MG (Brazil); Hiller, Brigitte, E-mail: brigitte@teor.fis.uc.pt [Departamento de Física, Faculdade de Ciências e Tecnologia, Universidade de Coimbra, 3004-516 Coimbra (Portugal); Baêta Scarpelli, A.P., E-mail: scarpelli.apbs@dpf.gov.br [Setor Técnico-Científico, Departamento de Polícia Federal, Rua Hugo D’Antola, 95 - Lapa, São Paulo (Brazil); Sampaio, Marcos, E-mail: marcos.sampaio@durham.ac.uk [Departamento de Física, ICEx, Universidade Federal de Minas Gerais, P.O. BOX 702, 30.161-970, Belo Horizonte, MG (Brazil); Centre for Particle Theory, Department of Mathematical Sciences, Durham University, South Road Durham DH1 3LE (United Kingdom)

2014-12-15

In this contribution, we present a new perspective on the control of quadratic divergences in quantum field theory, in general, and in the Higgs naturalness problem, in particular. Our discussion is essentially based on an approach where UV divergences are parameterized, after being reduced to basic divergent integrals (BDI) in one internal momentum, as functions of a cutoff and a renormalization group scale λ. We illustrate our proposal with well-known examples, such as the gluon vacuum self energy of QCD and the Higgs decay in two photons within this approach. We also discuss frameworks in effective low-energy QCD models, where quadratic divergences are indeed fundamental.

PSQP: Puzzle Solving by Quadratic Programming.

Science.gov (United States)

Andalo, Fernanda A; Taubin, Gabriel; Goldenstein, Siome

2017-02-01

In this article we present the first effective method based on global optimization for the reconstruction of image puzzles comprising rectangle pieces-Puzzle Solving by Quadratic Programming (PSQP). The proposed novel mathematical formulation reduces the problem to the maximization of a constrained quadratic function, which is solved via a gradient ascent approach. The proposed method is deterministic and can deal with arbitrary identical rectangular pieces. We provide experimental results showing its effectiveness when compared to state-of-the-art approaches. Although the method was developed to solve image puzzles, we also show how to apply it to the reconstruction of simulated strip-shredded documents, broadening its applicability.

Visualising the Roots of Quadratic Equations with Complex Coefficients

Science.gov (United States)

Bardell, Nicholas S.

2014-01-01

This paper is a natural extension of the root visualisation techniques first presented by Bardell (2012) for quadratic equations with real coefficients. Consideration is now given to the familiar quadratic equation "y = ax[superscript 2] + bx + c" in which the coefficients "a," "b," "c" are generally…

Scale-Invariant Rotating Black Holes in Quadratic Gravity

Directory of Open Access Journals (Sweden)

Guido Cognola

2015-07-01

Full Text Available Black hole solutions in pure quadratic theories of gravity are interesting since they allow the formulation of a set of scale-invariant thermodynamics laws. Recently, we have proven that static scale-invariant black holes have a well-defined entropy, which characterizes equivalent classes of solutions. In this paper, we generalize these results and explore the thermodynamics of rotating black holes in pure quadratic gravity.

Novel strategy to implement active-space coupled-cluster methods

Science.gov (United States)

Rolik, Zoltán; Kállay, Mihály

2018-03-01

A new approach is presented for the efficient implementation of coupled-cluster (CC) methods including higher excitations based on a molecular orbital space partitioned into active and inactive orbitals. In the new framework, the string representation of amplitudes and intermediates is used as long as it is beneficial, but the contractions are evaluated as matrix products. Using a new diagrammatic technique, the CC equations are represented in a compact form due to the string notations we introduced. As an application of these ideas, a new automated implementation of the single-reference-based multi-reference CC equations is presented for arbitrary excitation levels. The new program can be considered as an improvement over the previous implementations in many respects; e.g., diagram contributions are evaluated by efficient vectorized subroutines. Timings for test calculations for various complete active-space problems are presented. As an application of the new code, the weak interactions in the Be dimer were studied.

Diagonal Born-Oppenheimer correction for coupled-cluster wave-functions

Science.gov (United States)

Shamasundar, K. R.

2018-06-01

We examine how geometry-dependent normalisation freedom of electronic wave-functions affects extraction of a meaningful diagonal Born-Oppenheimer correction (DBOC) to the ground-state Born-Oppenheimer potential energy surface (PES). By viewing this freedom as a kind of gauge-freedom, it is shown that DBOC and the resulting associated mass-dependent adiabatic PES are gauge-invariant quantities. A sum-over-states (SOS) formula for DBOC which explicitly exhibits this invariance is derived. A biorthogonal formulation suitable for DBOC computations using standard unnormalised coupled-cluster (CC) wave-functions is presented. This is shown to lead to a biorthogonal version of SOS formula with similar properties. On this basis, different computational schemes for evaluating DBOC using approximate CC wave-functions are derived. One of this agrees with the formula used in the current literature. The connection to adiabatic-to-diabatic transformations in non-adiabatic dynamics is explored and complications arising from biorthogonal nature of CC theory are identified.

Direct Reconstruction of CT-based Attenuation Correction Images for PET with Cluster-Based Penalties

Science.gov (United States)

Kim, Soo Mee; Alessio, Adam M.; De Man, Bruno; Asma, Evren; Kinahan, Paul E.

2015-01-01

Extremely low-dose CT acquisitions for the purpose of PET attenuation correction will have a high level of noise and biasing artifacts due to factors such as photon starvation. This work explores a priori knowledge appropriate for CT iterative image reconstruction for PET attenuation correction. We investigate the maximum a posteriori (MAP) framework with cluster-based, multinomial priors for the direct reconstruction of the PET attenuation map. The objective function for direct iterative attenuation map reconstruction was modeled as a Poisson log-likelihood with prior terms consisting of quadratic (Q) and mixture (M) distributions. The attenuation map is assumed to have values in 4 clusters: air+background, lung, soft tissue, and bone. Under this assumption, the MP was a mixture probability density function consisting of one exponential and three Gaussian distributions. The relative proportion of each cluster was jointly estimated during each voxel update of direct iterative coordinate decent (dICD) method. Noise-free data were generated from NCAT phantom and Poisson noise was added. Reconstruction with FBP (ramp filter) was performed on the noise-free (ground truth) and noisy data. For the noisy data, dICD reconstruction was performed with the combination of different prior strength parameters (β and γ) of Q- and M-penalties. The combined quadratic and mixture penalties reduces the RMSE by 18.7% compared to post-smoothed iterative reconstruction and only 0.7% compared to quadratic alone. For direct PET attenuation map reconstruction from ultra-low dose CT acquisitions, the combination of quadratic and mixture priors offers regularization of both variance and bias and is a potential method to derive attenuation maps with negligible patient dose. However, the small improvement in quantitative accuracy relative to the substantial increase in algorithm complexity does not currently justify the use of mixture-based PET attenuation priors for reconstruction of CT

Symmetry breaking in two interacting populations of quadratic integrate-and-fire neurons

Science.gov (United States)

Ratas, Irmantas; Pyragas, Kestutis

2017-10-01

We analyze the dynamics of two coupled identical populations of quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The populations are heterogeneous; they include both inherently spiking and excitable neurons. The coupling within and between the populations is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rates and the mean membrane potentials in both populations. The reduced equations are exact in the infinite-size limit. The bifurcation analysis of the equations reveals a rich variety of nonsymmetric patterns, including a splay state, antiphase periodic oscillations, chimera-like states, and chaotic oscillations as well as bistabilities between various states. The validity of the reduced equations is confirmed by direct numerical simulations of the finite-size networks.

Quadratic algebra approach to relativistic quantum Smorodinsky-Winternitz systems

International Nuclear Information System (INIS)

Marquette, Ian

2011-01-01

There exists a relation between the Klein-Gordon and the Dirac equations with scalar and vector potentials of equal magnitude and the Schroedinger equation. We obtain the relativistic energy spectrum for the four relativistic quantum Smorodinsky-Winternitz systems from their quasi-Hamiltonian and the quadratic algebras studied by Daskaloyannis in the nonrelativistic context. We also apply the quadratic algebra approach directly to the initial Dirac equation for these four systems and show that the quadratic algebras obtained are the same than those obtained from the quasi-Hamiltonians. We point out how results obtained in context of quantum superintegrable systems and their polynomial algebras can be applied to the quantum relativistic case.

Geometric Approaches to Quadratic Equations from Other Times and Places.

Science.gov (United States)

Allaire, Patricia R.; Bradley, Robert E.

2001-01-01

Focuses on geometric solutions of quadratic problems. Presents a collection of geometric techniques from ancient Babylonia, classical Greece, medieval Arabia, and early modern Europe to enhance the quadratic equation portion of an algebra course. (KHR)

Approximate *-derivations and approximate quadratic *-derivations on C*-algebras

Directory of Open Access Journals (Sweden)

Park Choonkil

2011-01-01

Full Text Available Abstract In this paper, we prove the stability of *-derivations and of quadratic *-derivations on Banach *-algebras. We moreover prove the superstability of *-derivations and of quadratic *-derivations on C*-algebras. 2000 Mathematics Subject Classification: 39B52; 47B47; 46L05; 39B72.

Bonding in Mercury Molecules Described by the Normalized Elimination of the Small Component and Coupled Cluster Theory

NARCIS (Netherlands)

Cremer, Dieter; Kraka, Elfi; Filatov, Michael

2008-01-01

Bond dissociation energies (BDEs) of neutral HgX and cationic HgX(+) molecules range from less than a kcal mol(-1) to as much as 60 kcal mol(-1). Using NESCICCCSD(T) [normalized elimination of the small component and coupled-cluster theory with all single and double excitations and a perturbative

Quadratic time dependent Hamiltonians and separation of variables

Science.gov (United States)

Anzaldo-Meneses, A.

2017-06-01

Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.

Analysis of Students' Error in Learning of Quadratic Equations

Science.gov (United States)

Zakaria, Effandi; Ibrahim; Maat, Siti Mistima

2010-01-01

The purpose of the study was to determine the students' error in learning quadratic equation. The samples were 30 form three students from a secondary school in Jambi, Indonesia. Diagnostic test was used as the instrument of this study that included three components: factorization, completing the square and quadratic formula. Diagnostic interview…

Quadratic hamiltonians and relativistic quantum mechanics

International Nuclear Information System (INIS)

Razumov, A.V.; Solov'ev, V.O.; Taranov, A.Yu.

1981-01-01

For the case of a charged scalar field described by a quadratic hamiltonian the equivalent relativistic quantum mechanics is constructed in one-particle sector. Complete investigation of a charged relativistic particle motion in the Coulomb field is carried out. Subcritical as well as supercritical cases are considered. In the course of investigation of the charged scalar particle in the Coulomb field the diagonalization of the quadratic hamiltonian describing the charged scalar quantized field interaction with the external Coulomb field has taken place. Mathematically this problem is bound to the construction of self-conjugated expansions of the symmetric operator. The construction of such expansion is necessary at any small external field magnitude [ru

Constrained quadratic stabilization of discrete-time uncertain nonlinear multi-model systems using piecewise affine state-feedback

Directory of Open Access Journals (Sweden)

Olav Slupphaug

1999-07-01

Full Text Available In this paper a method for nonlinear robust stabilization based on solving a bilinear matrix inequality (BMI feasibility problem is developed. Robustness against model uncertainty is handled. In different non-overlapping regions of the state-space called clusters the plant is assumed to be an element in a polytope which vertices (local models are affine systems. In the clusters containing the origin in their closure, the local models are restricted to be linear systems. The clusters cover the region of interest in the state-space. An affine state-feedback is associated with each cluster. By utilizing the affinity of the local models and the state-feedback, a set of linear matrix inequalities (LMIs combined with a single nonconvex BMI are obtained which, if feasible, guarantee quadratic stability of the origin of the closed-loop. The feasibility problem is attacked by a branch-and-bound based global approach. If the feasibility check is successful, the Liapunov matrix and the piecewise affine state-feedback are given directly by the feasible solution. Control constraints are shown to be representable by LMIs or BMIs, and an application of the control design method to robustify constrained nonlinear model predictive control is presented. Also, the control design method is applied to a simple example.

Coupled cluster calculations for static and dynamic polarizabilities of C60

Science.gov (United States)

Kowalski, Karol; Hammond, Jeff R.; de Jong, Wibe A.; Sadlej, Andrzej J.

2008-12-01

New theoretical predictions for the static and frequency dependent polarizabilities of C60 are reported. Using the linear response coupled cluster approach with singles and doubles and a basis set especially designed to treat the molecular properties in external electric field, we obtained 82.20 and 83.62 Å3 for static and dynamic (λ =1064 nm) polarizabilities. These numbers are in a good agreement with experimentally inferred data of 76.5±8 and 79±4 Å3 [R. Antoine et al., J. Chem. Phys.110, 9771 (1999); A. Ballard et al., J. Chem. Phys.113, 5732 (2000)]. The reported results were obtained with the highest wave function-based level of theory ever applied to the C60 system.

Lambda-lifting in Quadratic Time

DEFF Research Database (Denmark)

Danvy, O.; Schultz, U.P.

2004-01-01

-lifting transforms a block-structured program into a set of recursive equations, one for each local function in the source program. Each equation carries extra parameters to account for the free variables of the corresponding local function and of all its callees. It is the search for these extra parameters......Lambda-lifting is a program transformation that is used in compilers, partial evaluators, and program transformers. In this article, we show how to reduce its complexity from cubic time to quadratic time, and we present a flow-sensitive lambda-lifter that also works in quadratic time. Lambda...... that yields the cubic factor in the traditional formulation of lambda-lifting, which is due to Johnsson. This search is carried out by computing a transitive closure. To reduce the complexity of lambda-lifting, we partition the call graph of the source program into strongly connected components, based...

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the ^{199}Hg Atom.

Science.gov (United States)

Sahoo, B K; Das, B P

2018-05-18

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P,T-odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to ^{199}Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First Application to the 199Hg Atom

Science.gov (United States)

Sahoo, B. K.; Das, B. P.

2018-05-01

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P ,T -odd) interactions, which are essential ingredients for probing new physics beyond the standard model of particle interactions, differ substantially from the previous theoretical results. It is therefore necessary to perform an independent test of the validity of these results. In view of this, the normal coupled-cluster method has been extended to the relativistic regime [relativistic normal coupled-cluster (RNCC) method] to calculate the EDMs of atoms by simultaneously incorporating the electrostatic and P ,T -odd interactions in order to overcome the shortcomings of the ordinary RCC method. This new relativistic method has been applied to 199Hg, which currently has a lower EDM limit than that of any other system. The results of our RNCC and self-consistent RCC calculations of the EDM of this atom are found to be close. The discrepancies between these two results on the one hand and those of previous calculations on the other are elucidated. Furthermore, the electric dipole polarizability of this atom, which has computational similarities with the EDM, is evaluated and it is in very good agreement with its measured value.

Sketching the General Quadratic Equation Using Dynamic Geometry Software

Science.gov (United States)

Stols, G. H.

2005-01-01

This paper explores a geometrical way to sketch graphs of the general quadratic in two variables with Geometer's Sketchpad. To do this, a geometric procedure as described by De Temple is used, bearing in mind that this general quadratic equation (1) represents all the possible conics (conics sections), and the fact that five points (no three of…

Tangent Lines without Derivatives for Quadratic and Cubic Equations

Science.gov (United States)

Carroll, William J.

2009-01-01

In the quadratic equation, y = ax[superscript 2] + bx + c, the equation y = bx + c is identified as the equation of the line tangent to the parabola at its y-intercept. This is extended to give a convenient method of graphing tangent lines at any point on the graph of a quadratic or a cubic equation. (Contains 5 figures.)

The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.

Science.gov (United States)

Xu, Enhua; Li, Shuhua

2015-03-07

An externally corrected CCSDt (coupled cluster with singles, doubles, and active triples) approach employing four- and five-body clusters from the complete active space self-consistent field (CASSCF) wave function (denoted as ecCCSDt-CASSCF) is presented. The quadruple and quintuple excitation amplitudes within the active space are extracted from the CASSCF wave function and then fed into the CCSDt-like equations, which can be solved in an iterative way as the standard CCSDt equations. With a size-extensive CASSCF reference function, the ecCCSDt-CASSCF method is size-extensive. When the CASSCF wave function is readily available, the computational cost of the ecCCSDt-CASSCF method scales as the popular CCSD method (if the number of active orbitals is small compared to the total number of orbitals). The ecCCSDt-CASSCF approach has been applied to investigate the potential energy surface for the simultaneous dissociation of two O-H bonds in H2O, the equilibrium distances and spectroscopic constants of 4 diatomic molecules (F2(+), O2(+), Be2, and NiC), and the reaction barriers for the automerization reaction of cyclobutadiene and the Cl + O3 → ClO + O2 reaction. In most cases, the ecCCSDt-CASSCF approach can provide better results than the CASPT2 (second order perturbation theory with a CASSCF reference function) and CCSDT methods.

Recognition and Matching of Clustered Mature Litchi Fruits Using Binocular Charge-Coupled Device (CCD Color Cameras

Directory of Open Access Journals (Sweden)

Chenglin Wang

2017-11-01

Full Text Available Recognition and matching of litchi fruits are critical steps for litchi harvesting robots to successfully grasp litchi. However, due to the randomness of litchi growth, such as clustered growth with uncertain number of fruits and random occlusion by leaves, branches and other fruits, the recognition and matching of the fruit become a challenge. Therefore, this study firstly defined mature litchi fruit as three clustered categories. Then an approach for recognition and matching of clustered mature litchi fruit was developed based on litchi color images acquired by binocular charge-coupled device (CCD color cameras. The approach mainly included three steps: (1 calibration of binocular color cameras and litchi image acquisition; (2 segmentation of litchi fruits using four kinds of supervised classifiers, and recognition of the pre-defined categories of clustered litchi fruit using a pixel threshold method; and (3 matching the recognized clustered fruit using a geometric center-based matching method. The experimental results showed that the proposed recognition method could be robust against the influences of varying illumination and occlusion conditions, and precisely recognize clustered litchi fruit. In the tested 432 clustered litchi fruits, the highest and lowest average recognition rates were 94.17% and 92.00% under sunny back-lighting and partial occlusion, and sunny front-lighting and non-occlusion conditions, respectively. From 50 pairs of tested images, the highest and lowest matching success rates were 97.37% and 91.96% under sunny back-lighting and non-occlusion, and sunny front-lighting and partial occlusion conditions, respectively.

Collapsing spherical star in Scalar-Einstein-Gauss-Bonnet gravity with a quadratic coupling

Science.gov (United States)

Chakrabarti, Soumya

2018-04-01

We study the evolution of a self interacting scalar field in Einstein-Gauss-Bonnet theory in four dimension where the scalar field couples non minimally with the Gauss-Bonnet term. Considering a polynomial coupling of the scalar field with the Gauss-Bonnet term, a self-interaction potential and an additional perfect fluid distribution alongwith the scalar field, we investigate different possibilities regarding the outcome of the collapsing scalar field. The strength of the coupling and choice of the self-interaction potential serves as the pivotal initial conditions of the models presented. The high degree of non-linearity in the equation system is taken care off by using a method of invertibe point transformation of anharmonic oscillator equation, which has proven itself very useful in recent past while investigating dynamics of minimally coupled scalar fields.

Impurity solitons with quadratic nonlinearities

DEFF Research Database (Denmark)

Clausen, Carl A. Balslev; Torres, Juan P-; Torner, Lluis

1998-01-01

We fmd families of solitary waves mediated by parametric mixing in quadratic nonlinear media that are localized at point-defect impurities. Solitons localized at attractive impurities are found to be dynamically stable. It is shown that localization at the impurity modifies strongly the soliton...

Cascaded Quadratic Soliton Compression in Waveguide Structures

DEFF Research Database (Denmark)

Guo, Hairun

between the Kerr nonlinear effects and the dispersive effects in the medium. A Kerr-like nonlinearity is produced through the cascaded phase mismatched quadratic process, e.g. the second harmonic generation process, which can be flexibly tuned in both the sign and the amplitude, making possible a strong......-phase-matching technology is not necessarily needed. In large-RI-changed waveguides, CQSC is extended to the mid-infrared range to generate single-cycle pulses with purely nonlinear interactions, since an all-normal dispersion profile could be achieved within the guidance band. We believe that CQSC in quadratic waveguides...

A Trust-region-based Sequential Quadratic Programming Algorithm

DEFF Research Database (Denmark)

Henriksen, Lars Christian; Poulsen, Niels Kjølstad

This technical note documents the trust-region-based sequential quadratic programming algorithm used in other works by the authors. The algorithm seeks to minimize a convex nonlinear cost function subject to linear inequalty constraints and nonlinear equality constraints.......This technical note documents the trust-region-based sequential quadratic programming algorithm used in other works by the authors. The algorithm seeks to minimize a convex nonlinear cost function subject to linear inequalty constraints and nonlinear equality constraints....

Dynamic analysis of clustered building structures using substructures methods

International Nuclear Information System (INIS)

Leimbach, K.R.; Krutzik, N.J.

1989-01-01

The dynamic substructure approach to the building cluster on a common base mat starts with the generation of Ritz-vectors for each building on a rigid foundation. The base mat plus the foundation soil is subjected to kinematic constraint modes, for example constant, linear, quadratic or cubic constraints. These constraint modes are also imposed on the buildings. By enforcing kinematic compatibility of the complete structural system on the basis of the constraint modes a reduced Ritz model of the complete cluster is obtained. This reduced model can now be analyzed by modal time history or response spectrum methods

Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

International Nuclear Information System (INIS)

Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

2016-01-01

Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

Energy Technology Data Exchange (ETDEWEB)

Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

2016-10-20

Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

Quantum annealing for combinatorial clustering

Science.gov (United States)

Kumar, Vaibhaw; Bass, Gideon; Tomlin, Casey; Dulny, Joseph

2018-02-01

Clustering is a powerful machine learning technique that groups "similar" data points based on their characteristics. Many clustering algorithms work by approximating the minimization of an objective function, namely the sum of within-the-cluster distances between points. The straightforward approach involves examining all the possible assignments of points to each of the clusters. This approach guarantees the solution will be a global minimum; however, the number of possible assignments scales quickly with the number of data points and becomes computationally intractable even for very small datasets. In order to circumvent this issue, cost function minima are found using popular local search-based heuristic approaches such as k-means and hierarchical clustering. Due to their greedy nature, such techniques do not guarantee that a global minimum will be found and can lead to sub-optimal clustering assignments. Other classes of global search-based techniques, such as simulated annealing, tabu search, and genetic algorithms, may offer better quality results but can be too time-consuming to implement. In this work, we describe how quantum annealing can be used to carry out clustering. We map the clustering objective to a quadratic binary optimization problem and discuss two clustering algorithms which are then implemented on commercially available quantum annealing hardware, as well as on a purely classical solver "qbsolv." The first algorithm assigns N data points to K clusters, and the second one can be used to perform binary clustering in a hierarchical manner. We present our results in the form of benchmarks against well-known k-means clustering and discuss the advantages and disadvantages of the proposed techniques.

The quadratic reciprocity law a collection of classical proofs

CERN Document Server

Baumgart, Oswald

2015-01-01

This book is the English translation of Baumgart’s thesis on the early proofs of the quadratic reciprocity law (“Über das quadratische Reciprocitätsgesetz. Eine vergleichende Darstellung der Beweise”), first published in 1885. It is divided into two parts. The first part presents a very brief history of the development of number theory up to Legendre, as well as detailed descriptions of several early proofs of the quadratic reciprocity law. The second part highlights Baumgart’s comparisons of the principles behind these proofs. A current list of all known proofs of the quadratic reciprocity law, with complete references, is provided in the appendix. This book will appeal to all readers interested in elementary number theory and the history of number theory.

Effect of fractional parameter on neutron transport in finite disturbed reactors with quadratic scattering

International Nuclear Information System (INIS)

Sallah, M.; Margeanu, C. A.

2016-01-01

The space-fractional neutron transport equation is used to describe the neutrons transport in finite disturbed reactors. It is approximated using the Pomraning-Eddington technique to yield two space-fractional differential equations, in terms of neutron density and net neutron flux. These resultant equations are coupled into a fractional diffusion-like equation for the neutron density whose solution is obtained by using Laplace transformation method. The solution is represented in terms of the Mittag-Leffler function and its different orders. The scattering is considered as quadratic scattering to offer a more realistic, compact representation of the system, and to increase the accuracy of the estimated neutronic parameters. The results are presented graphically to illustrate the fractional parameter effect in addition to the effect of radiative-transfer properties on the physical parameters of interest (reflection coefficient, transmission coefficient, neutron energy, and net neutron flux). The neutron transport problem in finite disturbed reactor with quadratic scattering is considered in investigating the shielding effectiveness, by using MAVRIC shielding module from SCALE6 programs package. The fractional parameter can be used to adjust the analysed data on neutron energy and flux, both for the theoretical model and the neutron transport application. (authors)

State-selective multireference coupled-cluster theory: In pursuit of property calculation

International Nuclear Information System (INIS)

Ghose, K.B.; Piecuch, P.; Pal, S.; Adamowicz, L.

1996-01-01

In this work, we examine the efficiency of the recently developed [P. Piecuch et al., J. Chem. Phys. 99, 6732 (1993)] state-selective (SS) multi-reference (MR) coupled-cluster (CC) method for calculation of molecular properties. In our earlier papers, we demonstrated that the SSMRCC method with inclusion of single, double, and internal and semi-internal triple excitations [SSCCSD(T) approach] is capable of providing an accurate description of the ground-state potential energy surfaces. In this paper, we present the dipole moment and polarizability values of the HF molecule at equilibrium and stretched geometries calculated using finite field technique and SSCCSD(T) ansatz. The calculations use double zeta quality basis sets with and without polarization functions. Molecular orbital basis sets include both relaxed and nonrelaxed orbitals. copyright 1996 American Institute of Physics

Connection dynamics of a gauge theory of gravity coupled with matter

International Nuclear Information System (INIS)

Yang, Jian; Banerjee, Kinjal; Ma, Yongge

2013-01-01

We study the coupling of the gravitational action, which is a linear combination of the Hilbert–Palatini term and the quadratic torsion term, to the action of Dirac fermions. The system possesses local Poincare invariance and hence belongs to Poincare gauge theory (PGT) with matter. The complete Hamiltonian analysis of the theory is carried out without gauge fixing but under certain ansatz on the coupling parameters, which leads to a consistent connection dynamics with second-class constraints and torsion. After performing a partial gauge fixing, all second-class constraints can be solved, and a SU(2)-connection dynamical formalism of the theory can be obtained. Hence, the techniques of loop quantum gravity (LQG) can be employed to quantize this PGT with non-zero torsion. Moreover, the Barbero–Immirzi parameter in LQG acquires its physical meaning as the coupling parameter between the Hilbert–Palatini term and the quadratic torsion term in this gauge theory of gravity. (paper)

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

International Nuclear Information System (INIS)

Mai, Sebastian; Marquetand, Philipp; González, Leticia; Müller, Thomas; Plasser, Felix; Lischka, Hans

2014-01-01

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations

Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

Energy Technology Data Exchange (ETDEWEB)

Mai, Sebastian; Marquetand, Philipp; González, Leticia [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Müller, Thomas, E-mail: th.mueller@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich (Germany); Plasser, Felix [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany); Lischka, Hans [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States)

2014-08-21

An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.

On quadratic variation of martingales

Indian Academy of Sciences (India)

On quadratic variation of martingales. 459. The proof relied on the theory of stochastic integration. Subsequently, in Karandikar. [4], the formula was derived using only Doob's maximal inequality. Thus this could be the starting point for the development of stochastic calculus for continuous semimartingales without bringing in ...

Quadratic prediction of factor scores

NARCIS (Netherlands)

Wansbeek, T

1999-01-01

Factor scores are naturally predicted by means of their conditional expectation given the indicators y. Under normality this expectation is linear in y but in general it is an unknown function of y. II is discussed that under nonnormality factor scores can be more precisely predicted by a quadratic

The regular indefinite linear-quadratic problem with linear endpoint constraints

NARCIS (Netherlands)

Soethoudt, J.M.; Trentelman, H.L.

1989-01-01

This paper deals with the infinite horizon linear-quadratic problem with indefinite cost. Given a linear system, a quadratic cost functional and a subspace of the state space, we consider the problem of minimizing the cost functional over all inputs for which the state trajectory converges to that

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

International Nuclear Information System (INIS)

Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong

2014-01-01

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

Science.gov (United States)

Zhang, Jianbao; Ma, Zhongjun; Chen, Guanrong

2014-06-01

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jianbao [School of Science, Hangzhou Dianzi University, Hangzhou 310018 (China); Ma, Zhongjun, E-mail: mzj1234402@163.com [School of Mathematics and Computing Science, Guilin University of Electronic Technology, Guilin 541004 (China); Chen, Guanrong [Department of Electronic Engineering, City University of Hong Kong, Kowloon, Hong Kong (China)

2014-06-15

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

Self-assembled metal clusters on an alumina nanomesh

International Nuclear Information System (INIS)

Buchsbaum, A.

2012-01-01

either bcc[110] or bcc[100] orientation, depending on the substrate temperature, and for Co we found random stacking of close-packed planes [fcc (111) and hcp (0001), respectively] on top of the clusters. Pd clusters grow with fcc[111] orientation. The contact angle of the clusters was derived from the measurements; at a deposition temperature of 470 K the contact angle of Co clusters is approx. 75° and for Fe clusters approx. 80° . With increasing deposition temperature the contact angle increases, i.e., the clusters are not in thermodynamic equilibrium. The size of the clusters grown on top of an ideal defect-free oxide is limited to approx. 1000 atoms/cluster. For larger clusters coalescence happens and a continuous film forms. The magnetic properties of the clusters and the Ni3Al(111) substrate have been studied by means of x-ray magnetic circular dichroism (XMCD) and surface magneto-optic Kerr effect (SMOKE). SMOKE measurements show that the Curie temperature of the substrate surface highly depends on the stoichiometry and thereby on the preparation history of the sample. By fitting calculated magnetization curves to the data measured by XMCD the magnetic properties of the clusters could be determined. The anisotropy of Co clusters is less than for hcp bulk Co. This is probably a consequence of random stacking of close-packed Co planes. The anisotropy of Fe clusters is enhanced compared to bulk bcc Fe, as expected for nanoparticles. The easy axis of the clusters is perpendicular to the surface. In order to describe the experimental data by the model two types of clusters with different coupling to the substrate have to be taken into account: clusters with strong AF coupling and predominantly FM coupled clusters which also show a considerable biquadratic contribution to the coupling energy. Basic considerations show that the atoms inside the corner holes mediate FM coupling of the clusters to the substrate. Most probably the coupling energy depends on the atoms

Cluster Randomized Controlled Trial Evaluation of a Gender Equity and Family Planning Intervention for Married Men and Couples in Rural India.

Directory of Open Access Journals (Sweden)

Anita Raj

Full Text Available Despite ongoing recommendations to increase male engagement and gender-equity (GE counseling in family planning (FP services, few such programs have been implemented and rigorously evaluated. This study evaluates the impact of CHARM, a three-session GE+FP counseling intervention delivered by male health care providers to married men, alone (sessions 1&2 and with their wives (session 3 in India.A two-armed cluster randomized controlled trial was conducted with young married couples (N = 1081 couples recruited from 50 geographic clusters (25 clusters randomized to CHARM and a control condition, respectively in rural Maharashtra, India. Couples were surveyed on demographics, contraceptive behaviors, and intimate partner violence (IPV attitudes and behaviors at baseline and 9 &18-month follow-ups, with pregnancy testing at baseline and 18-month follow-up. Outcome effects on contraceptive use and incident pregnancy, and secondarily, on contraceptive communication and men's IPV attitudes and behaviors, were assessed using logistic generalized linear mixed models. Most men recruited from CHARM communities (91.3% received at least one CHARM intervention session; 52.5% received the couple's session with their wife. Findings document that women from the CHARM condition, relative to controls, were more likely to report contraceptive communication at 9-month follow-up (AOR = 1.77, p = 0.04 and modern contraceptive use at 9 and 18-month follow-ups (AORs = 1.57-1.58, p = 0.05, and they were less likely to report sexual IPV at 18-month follow-up (AOR = 0.48, p = 0.01. Men in the CHARM condition were less likely than those in the control clusters to report attitudes accepting of sexual IPV at 9-month (AOR = 0.64, p = 0.03 and 18-month (AOR = 0.51, p = 0.004 follow-up, and attitudes accepting of physical IPV at 18-month follow-up (AOR = 0.64, p = 0.02. No significant effect on pregnancy was seen.Findings demonstrate that men can be engaged in FP programming in

Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple

Science.gov (United States)

Pavošević, Fabijan; Neese, Frank; Valeev, Edward F.

2014-08-01

We present a production implementation of reduced-scaling explicitly correlated (F12) coupled-cluster singles and doubles (CCSD) method based on pair-natural orbitals (PNOs). A key feature is the reformulation of the explicitly correlated terms using geminal-spanning orbitals that greatly reduce the truncation errors of the F12 contribution. For the standard S66 benchmark of weak intermolecular interactions, the cc-pVDZ-F12 PNO CCSD F12 interaction energies reproduce the complete basis set CCSD limit with mean absolute error cost compared to the conventional CCSD F12.

Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation

Science.gov (United States)

Dutta, Achintya Kumar; Neese, Frank; Izsák, Róbert

2018-06-01

In this paper, we present a chain-of-sphere implementation of the external exchange term, the computational bottleneck of coupled-cluster calculations at the singles and doubles level. This implementation is compared to standard molecular orbital, atomic orbital and resolution of identity implementations of the same term within the ORCA package and turns out to be the most efficient one for larger molecules, with a better accuracy than the resolution-of-identity approximation. Furthermore, it becomes possible to perform a canonical CC calculation on a tetramer of nucleobases in 17 days, 20 hours.

Eigenfunctions of quadratic hamiltonians in Wigner representation

International Nuclear Information System (INIS)

Akhundova, Eh.A.; Dodonov, V.V.; Man'ko, V.I.

1984-01-01

Exact solutions of the Schroedinger equation in Wigner representation are obtained for an arbitrary non-stationary N-dimensional quadratic Hamiltonian. It is shown that the complete system of the solutions can always be chosen in the form of the products of Laguerre polynomials, the arguments of which are the quadratic integrals of motion of the corresponding classical problem. The generating function is found for the transition probabilities between Fock states which represent a many-dimensional generatization of a well-known Husimi formula for the oscillator of variable frequency. As an example, the motion of a charged particle in an uniform alternate electromagnetic field is considered in detail

First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

Energy Technology Data Exchange (ETDEWEB)

Varghese, Jithin J.; Mushrif, Samir H., E-mail: shmushrif@ntu.edu.sg [School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

2015-05-14

Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

International Nuclear Information System (INIS)

Varghese, Jithin J.; Mushrif, Samir H.

2015-01-01

Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu n where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH 3 and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH x (x = 1–3) species and recombination of H with CH x have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters

The bounds of feasible space on constrained nonconvex quadratic programming

Science.gov (United States)

Zhu, Jinghao

2008-03-01

This paper presents a method to estimate the bounds of the radius of the feasible space for a class of constrained nonconvex quadratic programmingsE Results show that one may compute a bound of the radius of the feasible space by a linear programming which is known to be a P-problem [N. Karmarkar, A new polynomial-time algorithm for linear programming, Combinatorica 4 (1984) 373-395]. It is proposed that one applies this method for using the canonical dual transformation [D.Y. Gao, Canonical duality theory and solutions to constrained nonconvex quadratic programming, J. Global Optimization 29 (2004) 377-399] for solving a standard quadratic programming problem.

Remarks on second-order quadratic systems in algebras

Directory of Open Access Journals (Sweden)

Art Sagle

2017-10-01

Full Text Available This paper is an addendum to our earlier paper [8], where a systematic study of quadratic systems of second order ordinary differential equations defined in commutative algebras was presented. Here we concentrate on special solutions and energy considerations of some quadratic systems defined in algebras which need not be commutative, however, we shall throughout assume the algebra to be associative. We here also give a positive answer to an open question, concerning periodic motions of such systems, posed in our earlier paper.

A Linear Programming Reformulation of the Standard Quadratic Optimization Problem

NARCIS (Netherlands)

de Klerk, E.; Pasechnik, D.V.

2005-01-01

The problem of minimizing a quadratic form over the standard simplex is known as the standard quadratic optimization problem (SQO).It is NPhard, and contains the maximum stable set problem in graphs as a special case.In this note we show that the SQO problem may be reformulated as an (exponentially

Estimating sample size for a small-quadrat method of botanical ...

African Journals Online (AJOL)

Reports the results of a study conducted to determine an appropriate sample size for a small-quadrat method of botanical survey for application in the Mixed Bushveld of South Africa. Species density and grass density were measured using a small-quadrat method in eight plant communities in the Nylsvley Nature Reserve.

Quadratic divergences and dimensional regularisation

International Nuclear Information System (INIS)

Jack, I.; Jones, D.R.T.

1990-01-01

We present a detailed analysis of quadratic and quartic divergences in dimensionally regulated renormalisable theories. We perform explicit three-loop calculations for a general theory of scalars and fermions. We find that the higher-order quartic divergences are related to the lower-order ones by the renormalisation group β-functions. (orig.)

Facets for the Cardinality Constrained Quadratic Knapsack Problem and the Quadratic Selective Travelling Salesman Problem

DEFF Research Database (Denmark)

Mak, Vicky; Thomadsen, Tommy

2004-01-01

A well-known extension of the Travelling Salesman Problem (TSP) is the Selective (or Prize-collecting) TSP: In addition to the edge-costs, each node has an associated reward (denoted the node-reward) and instead of visiting all nodes, only profitable nodes are visited. The Quadratic Selective TSP...

Relativistic New Yukawa-Like Potential and Tensor Coupling

International Nuclear Information System (INIS)

Ikhdair, S.M.; Hamzavi, M.

2012-01-01

We approximately solve the Dirac equation for a new suggested generalized inversely quadratic Yukawa potential including a Coulomb-like tensor interaction with arbitrary spin-orbit coupling quantum number κ. In the framework of the spin and pseudo spin (p-spin) symmetry, we obtain the energy eigenvalue equation and the corresponding eigenfunctions, in closed form, by using the parametric Nikiforov-Uvarov method. The numerical results show that the Coulomb-like tensor interaction, -T/r, removes degeneracies between spin and p-spin state doublets. The Dirac solutions in the presence of exact spin symmetry are reduced to Schroedinger solutions for Yukawa and inversely quadratic Yukawa potentials. (author)

Stability and Linear Quadratic Differential Games of Discrete-Time Markovian Jump Linear Systems with State-Dependent Noise

Directory of Open Access Journals (Sweden)

Huiying Sun

2014-01-01

Full Text Available We mainly consider the stability of discrete-time Markovian jump linear systems with state-dependent noise as well as its linear quadratic (LQ differential games. A necessary and sufficient condition involved with the connection between stochastic Tn-stability of Markovian jump linear systems with state-dependent noise and Lyapunov equation is proposed. And using the theory of stochastic Tn-stability, we give the optimal strategies and the optimal cost values for infinite horizon LQ stochastic differential games. It is demonstrated that the solutions of infinite horizon LQ stochastic differential games are concerned with four coupled generalized algebraic Riccati equations (GAREs. Finally, an iterative algorithm is presented to solve the four coupled GAREs and a simulation example is given to illustrate the effectiveness of it.

Isotropy of quadratic forms

Indian Academy of Sciences (India)

V. Suresh University Of Hyderabad Hyderabad

2008-10-31

Oct 31, 2008 ... We say that (a1,··· ,an) is a zero of the polynomial f if f (a1,··· ,an) = 0. One of the main problems in Mathematics is to determine whether the given polynomial has a (non-trivial) zero or not. For example, let us recall the Fermat's last theorem: V. Suresh University Of Hyderabad Hyderabad. Isotropy of quadratic ...

Bôcher and Abstract Contractions of 2nd Order Quadratic Algebras

Science.gov (United States)

Escobar-Ruiz, Mauricio A.; Kalnins, Ernest G.; Miller, Willar, Jr.; Subag, Eyal

2017-03-01

Quadratic algebras are generalizations of Lie algebras which include the symmetry algebras of 2nd order superintegrable systems in 2 dimensions as special cases. The superintegrable systems are exactly solvable physical systems in classical and quantum mechanics. Distinct superintegrable systems and their quadratic algebras can be related by geometric contractions, induced by Bôcher contractions of the conformal Lie algebra {so}(4,C) to itself. In this paper we give a precise definition of Bôcher contractions and show how they can be classified. They subsume well known contractions of {e}(2,C) and {so}(3,C) and have important physical and geometric meanings, such as the derivation of the Askey scheme for obtaining all hypergeometric orthogonal polynomials as limits of Racah/Wilson polynomials. We also classify abstract nondegenerate quadratic algebras in terms of an invariant that we call a canonical form. We describe an algorithm for finding the canonical form of such algebras. We calculate explicitly all canonical forms arising from quadratic algebras of 2D nondegenerate superintegrable systems on constant curvature spaces and Darboux spaces. We further discuss contraction of quadratic algebras, focusing on those coming from superintegrable systems.

Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

Energy Technology Data Exchange (ETDEWEB)

Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

2015-05-28

Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidation of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.

Order-Constrained Solutions in K-Means Clustering: Even Better than Being Globally Optimal

Science.gov (United States)

Steinley, Douglas; Hubert, Lawrence

2008-01-01

This paper proposes an order-constrained K-means cluster analysis strategy, and implements that strategy through an auxiliary quadratic assignment optimization heuristic that identifies an initial object order. A subsequent dynamic programming recursion is applied to optimally subdivide the object set subject to the order constraint. We show that…

Coupled-cluster calculations for ground and excited states of closed- and open-shell nuclei using methods of quantum chemistry

International Nuclear Information System (INIS)

Wloch, Marta; Gour, Jeffrey R; Piecuch, Piotr; Dean, David J; Hjorth-Jensen, Morten; Papenbrock, Thomas

2005-01-01

We discuss large-scale ab initio calculations of ground and excited states of 16 O and preliminary calculations for 15 O and 17 O using coupled-cluster methods and algorithms developed in quantum chemistry. By using realistic two-body interactions and the renormalized form of the Hamiltonian obtained with a no-core G-matrix approach, we are able to obtain the virtually converged results for 16 O and promising results for 15 O and 17 O at the level of two-body interactions. The calculated properties other than binding and excitation energies include charge radius and charge form factor. The relatively low costs of coupled-cluster calculations, which are characterized by the low-order polynomial scaling with the system size, enable us to probe large model spaces with up to seven or eight major oscillator shells, for which nontruncated shell-model calculations for nuclei with A = 15-17 active particles are presently not possible

A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

DEFF Research Database (Denmark)

Paidarová, Ivana; Sauer, Stephan P. A.

2012-01-01

We have compared the performance of density functional theory (DFT) using five different exchange-correlation functionals with four coupled cluster theory based wave function methods in the calculation of geometrical derivatives of the polarizability tensor of methane. The polarizability gradient...

New robust chaotic system with exponential quadratic term

International Nuclear Information System (INIS)

Bao Bocheng; Li Chunbiao; Liu Zhong; Xu Jianping

2008-01-01

This paper proposes a new robust chaotic system of three-dimensional quadratic autonomous ordinary differential equations by introducing an exponential quadratic term. This system can display a double-scroll chaotic attractor with only two equilibria, and can be found to be robust chaotic in a very wide parameter domain with positive maximum Lyapunov exponent. Some basic dynamical properties and chaotic behaviour of novel attractor are studied. By numerical simulation, this paper verifies that the three-dimensional system can also evolve into periodic and chaotic behaviours by a constant controller. (general)

Effects of Classroom Instruction on Students' Understanding of Quadratic Equations

Science.gov (United States)

Vaiyavutjamai, Pongchawee; Clements, M. A.

2006-01-01

Two hundred and thirty-one students in six Grade 9 classes in two government secondary schools located near Chiang Mai, Thailand, attempted to solve the same 18 quadratic equations before and after participating in 11 lessons on quadratic equations. Data from the students' written responses to the equations, together with data in the form of…

Spatial statistics of pitting corrosion patterning: Quadrat counts and the non-homogeneous Poisson process

International Nuclear Information System (INIS)

Lopez de la Cruz, J.; Gutierrez, M.A.

2008-01-01

This paper presents a stochastic analysis of spatial point patterns as effect of localized pitting corrosion. The Quadrat Counts method is studied with two empirical pit patterns. The results are dependent on the quadrat size and bias is introduced when empty quadrats are accounted for the analysis. The spatially inhomogeneous Poisson process is used to improve the performance of the Quadrat Counts method. The latter combines Quadrat Counts with distance-based statistics in the analysis of pit patterns. The Inter-Event and the Nearest-Neighbour statistics are here implemented in order to compare their results. Further, the treatment of patterns in irregular domains is discussed

Synergy between pair coupled cluster doubles and pair density functional theory

Energy Technology Data Exchange (ETDEWEB)

Garza, Alejandro J.; Bulik, Ireneusz W. [Department of Chemistry, Rice University, Houston, Texas 77251-1892 (United States); Henderson, Thomas M. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892 (United States); Scuseria, Gustavo E. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892 (United States); Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

2015-01-28

Pair coupled cluster doubles (pCCD) has been recently studied as a method capable of accounting for static correlation with low polynomial cost. We present three combinations of pCCD with Kohn–Sham functionals of the density and on-top pair density (the probability of finding two electrons on top of each other) to add dynamic correlation to pCCD without double counting. With a negligible increase in computational cost, these pCCD+DFT blends greatly improve upon pCCD in the description of typical problems where static and dynamic correlations are both important. We argue that—as a black-box method with low scaling, size-extensivity, size-consistency, and a simple quasidiagonal two-particle density matrix—pCCD is an excellent match for pair density functionals in this type of fusion of multireference wavefunctions with DFT.

Temporal quadratic expansion nodal Green's function method

International Nuclear Information System (INIS)

Liu Cong; Jing Xingqing; Xu Xiaolin

2000-01-01

A new approach is presented to efficiently solve the three-dimensional space-time reactor dynamics equation which overcomes the disadvantages of current methods. In the Temporal Quadratic Expansion Nodal Green's Function Method (TQE/NGFM), the Quadratic Expansion Method (QEM) is used for the temporal solution with the Nodal Green's Function Method (NGFM) employed for the spatial solution. Test calculational results using TQE/NGFM show that its time step size can be 5-20 times larger than that of the Fully Implicit Method (FIM) for similar precision. Additionally, the spatial mesh size with NGFM can be nearly 20 times larger than that using the finite difference method. So, TQE/NGFM is proved to be an efficient reactor dynamics analysis method

On wave-packet dynamics in a decaying quadratic potential

DEFF Research Database (Denmark)

Møller, Klaus Braagaard; Henriksen, Niels Engholm

1997-01-01

We consider the time-dependent Schrodinger equation for a quadratic potential with an exponentially decaying force constant. General analytical solutions are presented and we highlight in particular, the signatures of classical mechanics in the wave packet dynamics.......We consider the time-dependent Schrodinger equation for a quadratic potential with an exponentially decaying force constant. General analytical solutions are presented and we highlight in particular, the signatures of classical mechanics in the wave packet dynamics....

Burgers' turbulence problem with linear or quadratic external potential

DEFF Research Database (Denmark)

Barndorff-Nielsen, Ole Eiler; Leonenko, N.N.

2005-01-01

We consider solutions of Burgers' equation with linear or quadratic external potential and stationary random initial conditions of Ornstein-Uhlenbeck type. We study a class of limit laws that correspond to a scale renormalization of the solutions.......We consider solutions of Burgers' equation with linear or quadratic external potential and stationary random initial conditions of Ornstein-Uhlenbeck type. We study a class of limit laws that correspond to a scale renormalization of the solutions....

Geometrical Solutions of Some Quadratic Equations with Non-Real Roots

Science.gov (United States)

Pathak, H. K.; Grewal, A. S.

2002-01-01

This note gives geometrical/graphical methods of finding solutions of the quadratic equation ax[squared] + bx + c = 0, a [not equal to] 0, with non-real roots. Three different cases which give rise to non-real roots of the quadratic equation have been discussed. In case I a geometrical construction and its proof for finding the solutions of the…

Solving Coupled Gross--Pitaevskii Equations on a Cluster of PlayStation 3 Computers

Science.gov (United States)

Edwards, Mark; Heward, Jeffrey; Clark, C. W.

2009-05-01

At Georgia Southern University we have constructed an 8+1--node cluster of Sony PlayStation 3 (PS3) computers with the intention of using this computing resource to solve problems related to the behavior of ultra--cold atoms in general with a particular emphasis on studying bose--bose and bose--fermi mixtures confined in optical lattices. As a first project that uses this computing resource, we have implemented a parallel solver of the coupled time--dependent, one--dimensional Gross--Pitaevskii (TDGP) equations. These equations govern the behavior of dual-- species bosonic mixtures. We chose the split--operator/FFT to solve the coupled 1D TDGP equations. The fast Fourier transform component of this solver can be readily parallelized on the PS3 cpu known as the Cell Broadband Engine (CellBE). Each CellBE chip contains a single 64--bit PowerPC Processor Element known as the PPE and eight ``Synergistic Processor Element'' identified as the SPE's. We report on this algorithm and compare its performance to a non--parallel solver as applied to modeling evaporative cooling in dual--species bosonic mixtures.

Geometrical and Graphical Solutions of Quadratic Equations.

Science.gov (United States)

Hornsby, E. John, Jr.

1990-01-01

Presented are several geometrical and graphical methods of solving quadratic equations. Discussed are Greek origins, Carlyle's method, von Staudt's method, fixed graph methods and imaginary solutions. (CW)

Approximation scheme for strongly coupled plasmas: Dynamical theory

International Nuclear Information System (INIS)

Golden, K.I.; Kalman, G.

1979-01-01

The authors present a self-consistent approximation scheme for the calculation of the dynamical polarizability α (k, ω) at long wavelengths in strongly coupled one-component plasmas. Development of the scheme is carried out in two stages. The first stage follows the earlier Golden-Kalman-Silevitch (GKS) velocity-average approximation approach, but goes much further in its application of the nonlinear fluctuation-dissipation theorem to dynamical calculations. The result is the simple expression for α (k, ω), αatsub GKSat(k, ω) 4 moment sum rule. In the second stage, the above dynamical expression is made self-consistent at long wavelengths by postulating that a decomposition of the quadratic polarizabilities in terms of linear ones, which prevails in the k → 0 limit for weak coupling, can be relied upon as a paradigm for arbitrary coupling. The result is a relatively simple quadratic integral equation for α. Its evaluation in the weak-coupling limit and its comparison with known exact results in that limit reveal that almost all important correlational and long-time effects are reproduced by our theory with very good numerical accuracy over the entire frequency range; the only significant defect of the approximation seems to be the absence of the ''dominant'' γ ln γ -1 (γ is the plasma parameter) contribution to Im α

Commuting quantum traces for quadratic algebras

International Nuclear Information System (INIS)

Nagy, Zoltan; Avan, Jean; Doikou, Anastasia; Rollet, Genevieve

2005-01-01

Consistent tensor products on auxiliary spaces, hereafter denoted 'fusion procedures', and commuting transfer matrices are defined for general quadratic algebras, nondynamical and dynamical, inspired by results on reflection algebras. Applications of these procedures then yield integer-indexed families of commuting Hamiltonians

Magnetic properties of free alkali and transition metal clusters

International Nuclear Information System (INIS)

Heer, W. de; Milani, P.; Chatelain, A.

1991-01-01

The Stern-Gerlach deflections of small alkali clusters (N<6) and iron clusters (10< N<500) show that the paramagnetic alkali clusters always have a nondeflecting component, while the iron clusters always deflect in the high field direction. Both of these effects appear to be related to spin relaxation however in the case of alkali clusters it is shown that they are in fact caused by avoided level crossing in the Zeeman diagram. For alkali clusters the relatively weak couplings cause reduced magnetic moments where levels cross. For iron clusters however the total spin is strongly coupled to the molecular framework. Consequently this coupling is responsible for avoided level crossing which ultimately cause the total energy of the cluster to decrease with increasing magnetic field so that the iron clusters will deflect in one direction when introduced in an inhomogeneous magnetic field. Experiment and theory are discussed for both cases. (orig.)

Isotropic harmonic oscillator plus inverse quadratic potential in N-dimensional spaces

International Nuclear Information System (INIS)

Oyewumi, K.A.; Bangudu, E.A.

2003-01-01

Some aspects of the N-dimensional isotropic harmonic plus inverse quadratic potential were discussed. The hyperradial equation for isotropic harmonic oscillator plus inverse quadratic potential is solved by transformation into the confluent hypergeometric equation to obtain the normalized hyperradial solution. Together with the hyperangular solutions (hyperspherical harmonics), these form the complete energy eigenfunctions of the N-dimensional isotropic harmonic oscillator plus inverse quadratic potential and the energy eigenvalues are also obtained. These are dimensionally dependent. The dependence of radial solution on the dimensions or potential strength and the degeneracy of the energy levels are discussed. (author)

Resolving Actuator Redundancy - Control Allocation vs. Linear Quadratic Control

OpenAIRE

Härkegård, Ola

2004-01-01

When designing control laws for systems with more inputs than controlled variables, one issue to consider is how to deal with actuator redundancy. Two tools for distributing the control effort among a redundant set of actuators are control allocation and linear quadratic control design. In this paper, we investigate the relationship between these two design tools when a quadratic performance index is used for control allocation. We show that for a particular class of linear systems, they give...

Quadratic spatial soliton interactions

Science.gov (United States)

Jankovic, Ladislav

Quadratic spatial soliton interactions were investigated in this Dissertation. The first part deals with characterizing the principal features of multi-soliton generation and soliton self-reflection. The second deals with two beam processes leading to soliton interactions and collisions. These subjects were investigated both theoretically and experimentally. The experiments were performed by using potassium niobate (KNBO 3) and periodically poled potassium titanyl phosphate (KTP) crystals. These particular crystals were desirable for these experiments because of their large nonlinear coefficients and, more importantly, because the experiments could be performed under non-critical-phase-matching (NCPM) conditions. The single soliton generation measurements, performed on KNBO3 by launching the fundamental component only, showed a broad angular acceptance bandwidth which was important for the soliton collisions performed later. Furthermore, at high input intensities multi-soliton generation was observed for the first time. The influence on the multi-soliton patterns generated of the input intensity and beam symmetry was investigated. The combined experimental and theoretical efforts indicated that spatial and temporal noise on the input laser beam induced multi-soliton patterns. Another research direction pursued was intensity dependent soliton routing by using of a specially engineered quadratically nonlinear interface within a periodically poled KTP sample. This was the first time demonstration of the self-reflection phenomenon in a system with a quadratic nonlinearity. The feature investigated is believed to have a great potential for soliton routing and manipulation by engineered structures. A detailed investigation was conducted on two soliton interaction and collision processes. Birth of an additional soliton resulting from a two soliton collision was observed and characterized for the special case of a non-planar geometry. A small amount of spiraling, up to 30

Quadratic Interpolation and Linear Lifting Design

Directory of Open Access Journals (Sweden)

Joel Solé

2007-03-01

Full Text Available A quadratic image interpolation method is stated. The formulation is connected to the optimization of lifting steps. This relation triggers the exploration of several interpolation possibilities within the same context, which uses the theory of convex optimization to minimize quadratic functions with linear constraints. The methods consider possible knowledge available from a given application. A set of linear equality constraints that relate wavelet bases and coefficients with the underlying signal is introduced in the formulation. As a consequence, the formulation turns out to be adequate for the design of lifting steps. The resulting steps are related to the prediction minimizing the detail signal energy and to the update minimizing the l2-norm of the approximation signal gradient. Results are reported for the interpolation methods in terms of PSNR and also, coding results are given for the new update lifting steps.

Integrable couplings of the multi-component Dirac hierarchy and its Hamiltonian structure

International Nuclear Information System (INIS)

Li Zhu; Dong Huanhe

2008-01-01

Integrable couplings of the multi-component Dirac hierarchy is obtained by use of the vector loop algebra G ∼ M , then the Hamiltonian structure of the above system is given by the quadratic-form identity

Clustered metabolic abnormalities blunt regression of hypertensive left ventricular hypertrophy: the LIFE study

DEFF Research Database (Denmark)

de Simone, G; Okin, P M; Gerdts, E

2009-01-01

BACKGROUND AND AIMS: Clusters of metabolic abnormalities resembling phenotypes of metabolic syndrome predicted outcome in the LIFE study, independently of single risk markers, including obesity, diabetes and baseline ECG left ventricular hypertrophy (LVH). We examined whether clusters of two......-duration product (CP) over 5 years was assessed using a quadratic polynomial contrast, adjusting for age, sex, prevalent cardiovascular disease and treatment arm (losartan or atenolol). At baseline, despite similar blood pressures, CP was greater in the presence than in the absence of MetAb (p

Higher-order equation-of-motion coupled-cluster methods for ionization processes.

Science.gov (United States)

Kamiya, Muneaki; Hirata, So

2006-08-21

Compact algebraic equations defining the equation-of-motion coupled-cluster (EOM-CC) methods for ionization potentials (IP-EOM-CC) have been derived and computer implemented by virtue of a symbolic algebra system largely automating these processes. Models with connected cluster excitation operators truncated after double, triple, or quadruple level and with linear ionization operators truncated after two-hole-one-particle (2h1p), three-hole-two-particle (3h2p), or four-hole-three-particle (4h3p) level (abbreviated as IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively) have been realized into parallel algorithms taking advantage of spin, spatial, and permutation symmetries with optimal size dependence of the computational costs. They are based on spin-orbital formalisms and can describe both alpha and beta ionizations from open-shell (doublet, triplet, etc.) reference states into ionized states with various spin magnetic quantum numbers. The application of these methods to Koopmans and satellite ionizations of N2 and CO (with the ambiguity due to finite basis sets eliminated by extrapolation) has shown that IP-EOM-CCSD frequently accounts for orbital relaxation inadequately and displays errors exceeding a couple of eV. However, these errors can be systematically reduced to tenths or even hundredths of an eV by IP-EOM-CCSDT or CCSDTQ. Comparison of spectroscopic parameters of the FH+ and NH+ radicals between IP-EOM-CC and experiments has also underscored the importance of higher-order IP-EOM-CC treatments. For instance, the harmonic frequencies of the A 2Sigma- state of NH+ are predicted to be 1285, 1723, and 1705 cm(-1) by IP-EOM-CCSD, CCSDT, and CCSDTQ, respectively, as compared to the observed value of 1707 cm(-1). The small adiabatic energy separation (observed 0.04 eV) between the X 2Pi and a 4Sigma- states of NH+ also requires IP-EOM-CCSDTQ for a quantitative prediction (0.06 eV) when the a 4Sigma- state has the low-spin magnetic quantum number (s(z) = 1/2). When the

The cyclicity of period annulus of a quadratic reversible Lotka–Volterra system

International Nuclear Information System (INIS)

Li, Chengzhi; Llibre, Jaume

2009-01-01

We prove that by perturbing the periodic annulus of the quadratic polynomial reversible Lotka–Volterra differential system, inside the class of all quadratic polynomial differential systems we can obtain at most two limit cycles

On the analysis of clonogenic survival data: Statistical alternatives to the linear-quadratic model

International Nuclear Information System (INIS)

Unkel, Steffen; Belka, Claus; Lauber, Kirsten

2016-01-01

The most frequently used method to quantitatively describe the response to ionizing irradiation in terms of clonogenic survival is the linear-quadratic (LQ) model. In the LQ model, the logarithm of the surviving fraction is regressed linearly on the radiation dose by means of a second-degree polynomial. The ratio of the estimated parameters for the linear and quadratic term, respectively, represents the dose at which both terms have the same weight in the abrogation of clonogenic survival. This ratio is known as the α/β ratio. However, there are plausible scenarios in which the α/β ratio fails to sufficiently reflect differences between dose-response curves, for example when curves with similar α/β ratio but different overall steepness are being compared. In such situations, the interpretation of the LQ model is severely limited. Colony formation assays were performed in order to measure the clonogenic survival of nine human pancreatic cancer cell lines and immortalized human pancreatic ductal epithelial cells upon irradiation at 0-10 Gy. The resulting dataset was subjected to LQ regression and non-linear log-logistic regression. Dimensionality reduction of the data was performed by cluster analysis and principal component analysis. Both the LQ model and the non-linear log-logistic regression model resulted in accurate approximations of the observed dose-response relationships in the dataset of clonogenic survival. However, in contrast to the LQ model the non-linear regression model allowed the discrimination of curves with different overall steepness but similar α/β ratio and revealed an improved goodness-of-fit. Additionally, the estimated parameters in the non-linear model exhibit a more direct interpretation than the α/β ratio. Dimensionality reduction of clonogenic survival data by means of cluster analysis was shown to be a useful tool for classifying radioresistant and sensitive cell lines. More quantitatively, principal component analysis allowed

Quadratic contributions of softly broken supersymmetry in the light of loop regularization

Energy Technology Data Exchange (ETDEWEB)

Bai, Dong [Chinese Academy of Sciences, Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Beijing (China); University of Chinese Academy of Sciences, School of Physical Sciences, Beijing (China); Wu, Yue-Liang [Chinese Academy of Sciences, Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Beijing (China); International Centre for Theoretical Physics Asia-Pacific (ICTP-AP), Beijing (China); University of Chinese Academy of Sciences, School of Physical Sciences, Beijing (China)

2017-09-15

Loop regularization (LORE) is a novel regularization scheme in modern quantum field theories. It makes no change to the spacetime structure and respects both gauge symmetries and supersymmetry. As a result, LORE should be useful in calculating loop corrections in supersymmetry phenomenology. To further demonstrate its power, in this article we revisit in the light of LORE the old issue of the absence of quadratic contributions (quadratic divergences) in softly broken supersymmetric field theories. It is shown explicitly by Feynman diagrammatic calculations that up to two loops the Wess-Zumino model with soft supersymmetry breaking terms (WZ' model), one of the simplest models with the explicit supersymmetry breaking, is free of quadratic contributions. All the quadratic contributions cancel with each other perfectly, which is consistent with results dictated by the supergraph techniques. (orig.)

On quadratic residue codes and hyperelliptic curves

Directory of Open Access Journals (Sweden)

David Joyner

2008-01-01

Full Text Available For an odd prime p and each non-empty subset S⊂GF(p, consider the hyperelliptic curve X S defined by y 2 =f S (x, where f S (x = ∏ a∈S (x-a. Using a connection between binary quadratic residue codes and hyperelliptic curves over GF(p, this paper investigates how coding theory bounds give rise to bounds such as the following example: for all sufficiently large primes p there exists a subset S⊂GF(p for which the bound |X S (GF(p| > 1.39p holds. We also use the quasi-quadratic residue codes defined below to construct an example of a formally self-dual optimal code whose zeta function does not satisfy the ``Riemann hypothesis.''

Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations

Energy Technology Data Exchange (ETDEWEB)

Epifanovsky, Evgeny [Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482 (United States); Department of Chemistry, University of California, Berkeley, California 94720 (United States); Q-Chem Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588 (United States); Klein, Kerstin; Gauss, Jürgen [Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz (Germany); Stopkowicz, Stella [Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Oslo, N-0315 Oslo (Norway); Krylov, Anna I. [Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482 (United States)

2015-08-14

We present a formalism and an implementation for calculating spin-orbit couplings (SOCs) within the EOM-CCSD (equation-of-motion coupled-cluster with single and double substitutions) approach. The following variants of EOM-CCSD are considered: EOM-CCSD for excitation energies (EOM-EE-CCSD), EOM-CCSD with spin-flip (EOM-SF-CCSD), EOM-CCSD for ionization potentials (EOM-IP-CCSD) and electron attachment (EOM-EA-CCSD). We employ a perturbative approach in which the SOCs are computed as matrix elements of the respective part of the Breit-Pauli Hamiltonian using zeroth-order non-relativistic wave functions. We follow the expectation-value approach rather than the response-theory formulation for property calculations. Both the full two-electron treatment and the mean-field approximation (a partial account of the two-electron contributions) have been implemented and benchmarked using several small molecules containing elements up to the fourth row of the periodic table. The benchmark results show the excellent performance of the perturbative treatment and the mean-field approximation. When used with an appropriate basis set, the errors with respect to experiment are below 5% for the considered examples. The findings regarding basis-set requirements are in agreement with previous studies. The impact of different correlation treatment in zeroth-order wave functions is analyzed. Overall, the EOM-IP-CCSD, EOM-EA-CCSD, EOM-EE-CCSD, and EOM-SF-CCSD wave functions yield SOCs that agree well with each other (and with the experimental values when available). Using an EOM-CCSD approach that provides a more balanced description of the target states yields more accurate results.

Designing Camera Networks by Convex Quadratic Programming

KAUST Repository

Ghanem, Bernard; Wonka, Peter; Cao, Yuanhao

2015-01-01

be formulated mathematically as a convex binary quadratic program (BQP) under linear constraints. Moreover, we propose an optimization strategy with a favorable trade-off between speed and solution quality. Our solution

Solving symmetric-definite quadratic lambda-matrix problems without factorization

International Nuclear Information System (INIS)

Scott, D.S.; Ward, R.C.

1982-01-01

Algorithms are presented for computing some of the eigenvalues and their associated eigenvectors of the quadratic lambda-matrix M lambda 2 C lambda + K. M, C, and K are assumed to have special symmetry-type properties which insure that theory analogous to the standard symmetric eigenproblem exists. The algorithms are based on a generalization of the Rayleigh quotient and the Lanczos method for computing eigenpairs of standard symmetric eigenproblems. Monotone quadratic convergence of the basic method is proved. Test examples are presented

Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals

Science.gov (United States)

Garza, Alejandro J.; Sousa Alencar, Ana G.; Scuseria, Gustavo E.

2015-12-01

Singlet-paired coupled cluster doubles (CCD0) is a simplification of CCD that relinquishes a fraction of dynamic correlation in order to be able to describe static correlation. Combinations of CCD0 with density functionals that recover specifically the dynamic correlation missing in the former have also been developed recently. Here, we assess the accuracy of CCD0 and CCD0+DFT (and variants of these using Brueckner orbitals) as compared to well-established quantum chemical methods for describing ground-state properties of singlet actinide molecules. The f0 actinyl series (UO22+, NpO23+, PuO24+), the isoelectronic NUN, and thorium (ThO, ThO2+) and nobelium (NoO, NoO2) oxides are studied.

Decoherence of coupled Josephson charge qubits due to partially correlated low-frequency noise

International Nuclear Information System (INIS)

Hu, Yong; Zhou, Zheng-Wei; Cai, Jian-Ming; Guo, Guang-Can

2007-01-01

Josephson charge qubits are promising candidates for scalable quantum computing. However, their performances are strongly degraded by decoherence due to low-frequency background noise, typically with a 1/f spectrum. In this paper, we investigate the decoherence process of two Cooper pair boxes (CPBs) coupled via a capacitor. Going beyond the common and uncorrelated noise models and the Bloch-Redfield formalism of previous works, we study the coupled system's quadratic dephasing under the condition of partially correlated noise sources. Based on reported experiments and generally accepted noise mechanisms, we introduce a reasonable assumption for the noise correlation, with which the calculation of multiqubit decoherence can be simplified to a problem on the single-qubit level. For the conventional Gaussian 1/f noise case, our results demonstrate that the quadratic dephasing rates are not very sensitive to the spatial correlation of the noises. Furthermore, we discuss the feasibility and efficiency of dynamical decoupling in the coupled CPBs

Magnon-induced superconductivity in a topological insulator coupled to ferromagnetic and antiferromagnetic insulators

Science.gov (United States)

Hugdal, Henning G.; Rex, Stefan; Nogueira, Flavio S.; Sudbø, Asle

2018-05-01

We study the effective interactions between Dirac fermions on the surface of a three-dimensional topological insulator due to the proximity coupling to the magnetic fluctuations in a ferromagnetic or antiferromagnetic insulator. Our results show that the magnetic fluctuations can mediate attractive interactions between Dirac fermions of both Amperean and BCS types. In the ferromagnetic case, we find pairing between fermions with parallel momenta, so-called Amperean pairing, whenever the effective Lagrangian for the magnetic fluctuations does not contain a quadratic term. The pairing interaction also increases with increasing Fermi momentum and is in agreement with previous studies in the limit of high chemical potential. If a quadratic term is present, the pairing is instead of BCS type above a certain chemical potential. In the antiferromagnetic case, BCS pairing occurs when the ferromagnetic coupling between magnons on the same sublattice exceeds the antiferromagnetic coupling between magnons on different sublattices. Outside this region in parameter space, we again find that Amperean pairing is realized.

Schur Stability Regions for Complex Quadratic Polynomials

Science.gov (United States)

Cheng, Sui Sun; Huang, Shao Yuan

2010-01-01

Given a quadratic polynomial with complex coefficients, necessary and sufficient conditions are found in terms of the coefficients such that all its roots have absolute values less than 1. (Contains 3 figures.)

A Novel Single Switch Transformerless Quadratic DC/DC Buck-Boost Converter

DEFF Research Database (Denmark)

Mostaan, Ali; A. Gorji, Saman; N. Soltani, Mohsen

2017-01-01

A novel quadratic buck-boost DC/DC converter is presented in this study. The proposed converter utilizes only one active switch and can step-up/down the input voltage, while the existing single switch quadratic buck/boost converters can only work in step-up or step-down mode. First, the proposed ...

Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and cluster states.

Science.gov (United States)

Ku, Wai Lim; Girvan, Michelle; Ott, Edward

2015-12-01

In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is "extensive" in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.

Investigating the Correspondence Between Transcriptomic and Proteomic Expression Profiles Using Coupled Cluster Models

International Nuclear Information System (INIS)

Rogers, Simon; Girolami, Mark; Kolch, Walter; Waters, Katrina M.; Liu, Tao; Thrall, Brian D.; Wiley, H. S.

2008-01-01

Modern transcriptomics and proteomics enable us to survey the expression of RNAs and proteins at large scales. While these data are usually generated and analyzed separately, there is an increasing interest in comparing and co-analyzing transcriptome and proteome expression data. A major open question is whether transcriptome and proteome expression is linked and how it is coordinated. Results: Here we have developed a probabilistic clustering model that permits analysis of the links between transcriptomic and proteomic profiles in a sensible and flexible manner. Our coupled mixture model defines a prior probability distribution over the component to which a protein profile should be assigned conditioned on which component the associated mRNA profile belongs to. By providing probabilistic assignments this approach sits between the two extremes of concatenating the data on the assumption that mRNA and protein clusters would have a one-to-one relationship, and independent clustering where the mRNA profile provides no information on the protein profile and vice-versa. We apply this approach to a large dataset of quantitative transcriptomic and proteomic expression data obtained from a human breast epithelial cell line (HMEC) stimulated by epidermal growth factor (EGF) over a series of timepoints corresponding to one cell cycle. The results reveal a complex relationship between transcriptome and proteome with most mRNA clusters linked to at least two protein clusters, and vice versa. A more detailed analysis incorporating information on gene function from the gene ontology database shows that a high correlation of mRNA and protein expression is limited to the components of some molecular machines, such as the ribosome, cell adhesion complexes and the TCP-1 chaperonin involved in protein folding. Conclusions: The dynamic regulation of the transcriptome and proteome in mammalian cells in response to an acute mitogenic stimulus appears largely independent with very little

Experimental synchronization of chaos in a large ring of mutually coupled single-transistor oscillators: Phase, amplitude, and clustering effects

Energy Technology Data Exchange (ETDEWEB)

Minati, Ludovico, E-mail: lminati@ieee.org, E-mail: ludovico.minati@unitn.it [MR-Lab, Center for Mind/Brain Science, University of Trento, Italy and Scientific Department, Fondazione IRCCS Istituto Neurologico Carlo Besta, Milan (Italy)

2014-12-01

In this paper, experimental evidence of multiple synchronization phenomena in a large (n = 30) ring of chaotic oscillators is presented. Each node consists of an elementary circuit, generating spikes of irregular amplitude and comprising one bipolar junction transistor, one capacitor, two inductors, and one biasing resistor. The nodes are mutually coupled to their neighbours via additional variable resistors. As coupling resistance is decreased, phase synchronization followed by complete synchronization is observed, and onset of synchronization is associated with partial synchronization, i.e., emergence of communities (clusters). While component tolerances affect community structure, the general synchronization properties are maintained across three prototypes and in numerical simulations. The clusters are destroyed by adding long distance connections with distant notes, but are otherwise relatively stable with respect to structural connectivity changes. The study provides evidence that several fundamental synchronization phenomena can be reliably observed in a network of elementary single-transistor oscillators, demonstrating their generative potential and opening way to potential applications of this undemanding setup in experimental modelling of the relationship between network structure, synchronization, and dynamical properties.

Experimental synchronization of chaos in a large ring of mutually coupled single-transistor oscillators: Phase, amplitude, and clustering effects

International Nuclear Information System (INIS)

Minati, Ludovico

2014-01-01

In this paper, experimental evidence of multiple synchronization phenomena in a large (n = 30) ring of chaotic oscillators is presented. Each node consists of an elementary circuit, generating spikes of irregular amplitude and comprising one bipolar junction transistor, one capacitor, two inductors, and one biasing resistor. The nodes are mutually coupled to their neighbours via additional variable resistors. As coupling resistance is decreased, phase synchronization followed by complete synchronization is observed, and onset of synchronization is associated with partial synchronization, i.e., emergence of communities (clusters). While component tolerances affect community structure, the general synchronization properties are maintained across three prototypes and in numerical simulations. The clusters are destroyed by adding long distance connections with distant notes, but are otherwise relatively stable with respect to structural connectivity changes. The study provides evidence that several fundamental synchronization phenomena can be reliably observed in a network of elementary single-transistor oscillators, demonstrating their generative potential and opening way to potential applications of this undemanding setup in experimental modelling of the relationship between network structure, synchronization, and dynamical properties

Measurement of quadratic electrogyration effect in castor oil

Science.gov (United States)

Izdebski, Marek; Ledzion, Rafał; Górski, Piotr

2015-07-01

This work presents a detailed analysis of electrogyration measurement in liquids with the usage of an optical polarimetric technique. Theoretical analysis of the optical response to an applied electric field is illustrated by experimental data for castor oil which exhibits natural optical activity, quadratic electro-optic effect and quadratic electrogyration effect. Moreover, the experimental data show that interaction of the oil with a pair of flat electrodes induces a significant dichroism and natural linear birefringence. The combination of these effects occurring at the same time complicates the procedure of measurements. It has been found that a single measurement is insufficient to separate the contribution of the electrogyration effect, but it is possible on the basis of several measurements performed with various orientations of the polarizer and the analyser. The obtained average values of the quadratic electrogyration coefficient β13 in castor oil at room temperature are from - 0.92 ×10-22 to - 1.44 ×10-22m2V-2 depending on the origin of the oil. Although this study is focused on measurements in castor oil, the presented analysis is much more general.

On a quadratic inverse eigenvalue problem

International Nuclear Information System (INIS)

Cai, Yunfeng; Xu, Shufang

2009-01-01

This paper concerns the quadratic inverse eigenvalue problem (QIEP) of constructing real symmetric matrices M, C and K of size n × n, with M nonsingular, so that the quadratic matrix polynomial Q(λ) ≡ λ 2 M + λC + K has a completely prescribed set of eigenvalues and eigenvectors. It is shown via construction that the QIEP has a solution if and only if r 0, where r and δ are computable from the prescribed spectral data. A necessary and sufficient condition for the existence of a solution to the QIEP with M being positive definite is also established in a constructive way. Furthermore, two algorithms are developed: one is to solve the QIEP; another is to find a particular solution to the QIEP with the leading coefficient matrix being positive definite, which also provides us an approach to a simultaneous reduction of real symmetric matrix triple (M, C, K) by real congruence. Numerical results show that the two algorithms are feasible and numerically reliable

Quadratic measurement and conditional state preparation in an optomechanical system

DEFF Research Database (Denmark)

A. Brawley, George; Vanner, Michael A.; Bowen, Warwick P.

2014-01-01

We experimentally demonstrate, for the first time, quadratic measurement of mechanical motion in an optomechanical system. We use this nonlinear easurement to conditionally prepare classical non-Gaussian states of motion of a micro-mechanical oscillator.......We experimentally demonstrate, for the first time, quadratic measurement of mechanical motion in an optomechanical system. We use this nonlinear easurement to conditionally prepare classical non-Gaussian states of motion of a micro-mechanical oscillator....

Admixtures of shell and cluster states in 18F

International Nuclear Information System (INIS)

Sakuda, Toshimi; Nemoto, Fumiki; Nagata, Sinobu.

1976-01-01

The properties of the low-lying T=0 positive-parity levels in 18 F are shown to be well understood by considering admixtures of 2p shell-model states and ''4p-2h'' states with alpha-cluster structures. In order to represent the ''4p-2h'' states, α- 14 N cluster model is introduced. By this model, weak coupling features and coupling between shell and cluster states are well described. The binding energies of the ground 1 + and the lowest 3 + levels are reproduced by the couplings with the ''4p-2h'' cluster states. On the other hand, weak coupling features of ''4p-2h'' cluster states are disturbed to some extent. As a result, the energy spectrum, E2-transition rates and reduced α-widths of all T=0 positive-parity levels below 7 MeV excitation energy are systematically reproduced. (auth.)

The Quadratic Selective Travelling Salesman Problem

DEFF Research Database (Denmark)

Thomadsen, Tommy; Stidsen, Thomas K.

2003-01-01

A well-known extension of the Travelling Salesman Problem (TSP) is the Selective TSP (STSP): Each node has an associated profit and instead of visiting all nodes, the most profitable set of nodes, taking into account the tour cost, is visited. The Quadratic STSP (QSTSP) adds the additional...

Exact solutions to quadratic gravity

Czech Academy of Sciences Publication Activity Database

Pravda, Vojtěch; Pravdová, Alena; Podolský, J.; Švarc, J.

2017-01-01

Roč. 95, č. 8 (2017), č. článku 084025. ISSN 2470-0010 R&D Projects: GA ČR GB14-37086G Institutional support: RVO:67985840 Keywords : quadratic gravity * exact solutions * Kundt spacetimes Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 4.568, year: 2016 https://journals.aps.org/prd/abstract/10.1103/PhysRevD.95.084025

On Quadratic Variation of Martingales

Indian Academy of Sciences (India)

where D ( [ 0 , ∞ ) , R ) denotes the class of real valued r.c.l.l. functions on [ 0 , ∞ ) such that for a locally square integrable martingale ( M t ) with r.c.l.l. paths,. Ψ ( M . ( ) ) = A . ( ). gives the quadratic variation process (written usually as [ M , M ] t ) of ( M t ) . We also show that this process ( A t ) is the unique increasing ...

Exact solutions to quadratic gravity

Czech Academy of Sciences Publication Activity Database

Pravda, Vojtěch; Pravdová, Alena; Podolský, J.; Švarc, J.

2017-01-01

Roč. 95, č. 8 (2017), č. článku 084025. ISSN 2470-0010 R&D Projects: GA ČR GB14-37086G Institutional support: RVO:67985840 Keywords : quadratic gravity * exact solutions * Kundt spacetimes Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 4.568, year: 2016 https://journals. aps .org/prd/abstract/10.1103/PhysRevD.95.084025

Implementation of High-Order Multireference Coupled-Cluster Methods on Intel Many Integrated Core Architecture.

Science.gov (United States)

Aprà, E; Kowalski, K

2016-03-08

In this paper we discuss the implementation of multireference coupled-cluster formalism with singles, doubles, and noniterative triples (MRCCSD(T)), which is capable of taking advantage of the processing power of the Intel Xeon Phi coprocessor. We discuss the integration of two levels of parallelism underlying the MRCCSD(T) implementation with computational kernels designed to offload the computationally intensive parts of the MRCCSD(T) formalism to Intel Xeon Phi coprocessors. Special attention is given to the enhancement of the parallel performance by task reordering that has improved load balancing in the noniterative part of the MRCCSD(T) calculations. We also discuss aspects regarding efficient optimization and vectorization strategies.

Numerical Methods for Solution of the Extended Linear Quadratic Control Problem

DEFF Research Database (Denmark)

Jørgensen, John Bagterp; Frison, Gianluca; Gade-Nielsen, Nicolai Fog

2012-01-01

In this paper we present the extended linear quadratic control problem, its efficient solution, and a discussion of how it arises in the numerical solution of nonlinear model predictive control problems. The extended linear quadratic control problem is the optimal control problem corresponding...... to the Karush-Kuhn-Tucker system that constitute the majority of computational work in constrained nonlinear and linear model predictive control problems solved by efficient MPC-tailored interior-point and active-set algorithms. We state various methods of solving the extended linear quadratic control problem...... and discuss instances in which it arises. The methods discussed in the paper have been implemented in efficient C code for both CPUs and GPUs for a number of test examples....

Estimating nonlinear selection gradients using quadratic regression coefficients: double or nothing?

Science.gov (United States)

Stinchcombe, John R; Agrawal, Aneil F; Hohenlohe, Paul A; Arnold, Stevan J; Blows, Mark W

2008-09-01

The use of regression analysis has been instrumental in allowing evolutionary biologists to estimate the strength and mode of natural selection. Although directional and correlational selection gradients are equal to their corresponding regression coefficients, quadratic regression coefficients must be doubled to estimate stabilizing/disruptive selection gradients. Based on a sample of 33 papers published in Evolution between 2002 and 2007, at least 78% of papers have not doubled quadratic regression coefficients, leading to an appreciable underestimate of the strength of stabilizing and disruptive selection. Proper treatment of quadratic regression coefficients is necessary for estimation of fitness surfaces and contour plots, canonical analysis of the gamma matrix, and modeling the evolution of populations on an adaptive landscape.

Quantum tomography and classical propagator for quadratic quantum systems

International Nuclear Information System (INIS)

Man'ko, O.V.

1999-03-01

The classical propagator for tomographic probability (which describes the quantum state instead of wave function or density matrix) is presented for quadratic quantum systems and its relation to the quantum propagator is considered. The new formalism of quantum mechanics, based on the probability representation of the state, is applied to particular quadratic systems - the harmonic oscillator, particle's free motion, problems of an ion in a Paul trap and in asymmetric Penning trap, and to the process of stimulated Raman scattering. The classical propagator for these systems is written in an explicit form. (author)

K-AP: Generating specified K clusters by efficient Affinity Propagation

KAUST Repository

Zhang, Xiangliang

2010-12-01

The Affinity Propagation (AP) clustering algorithm proposed by Frey and Dueck (2007) provides an understandable, nearly optimal summary of a data set. However, it suffers two major shortcomings: i) the number of clusters is vague with the user-defined parameter called self-confidence, and ii) the quadratic computational complexity. When aiming at a given number of clusters due to prior knowledge, AP has to be launched many times until an appropriate setting of self-confidence is found. The re-launched AP increases the computational cost by one order of magnitude. In this paper, we propose an algorithm, called K-AP, to exploit the immediate results of K clusters by introducing a constraint in the process of message passing. Through theoretical analysis and experimental validation, K-AP was shown to be able to directly generate K clusters as user defined, with a negligible increase of computational cost compared to AP. In the meanwhile, K-AP preserves the clustering quality as AP in terms of the distortion. K-AP is more effective than k-medoids w.r.t. the distortion minimization and higher clustering purity. © 2010 IEEE.

A Wavelet Bicoherence-Based Quadratic Nonlinearity Feature for Translational Axis Condition Monitoring

Directory of Open Access Journals (Sweden)

Yong Li

2014-01-01

Full Text Available The translational axis is one of the most important subsystems in modern machine tools, as its degradation may result in the loss of the product qualification and lower the control precision. Condition-based maintenance (CBM has been considered as one of the advanced maintenance schemes to achieve effective, reliable and cost-effective operation of machine systems, however, current vibration-based maintenance schemes cannot be employed directly in the translational axis system, due to its complex structure and the inefficiency of commonly used condition monitoring features. In this paper, a wavelet bicoherence-based quadratic nonlinearity feature is proposed for translational axis condition monitoring by using the torque signature of the drive servomotor. Firstly, the quadratic nonlinearity of the servomotor torque signature is discussed, and then, a biphase randomization wavelet bicoherence is introduced for its quadratic nonlinear detection. On this basis, a quadratic nonlinearity feature is proposed for condition monitoring of the translational axis. The properties of the proposed quadratic nonlinearity feature are investigated by simulations. Subsequently, this feature is applied to the real-world servomotor torque data collected from the X-axis on a high precision vertical machining centre. All the results show that the performance of the proposed feature is much better than that of original condition monitoring features.

Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems.

Science.gov (United States)

Huntington, Lee M J; Krupička, Martin; Neese, Frank; Izsák, Róbert

2017-11-07

The similarity transformed equation of motion coupled-cluster approach is extended for applications to high-spin open-shell systems, within the unrestricted Hartree-Fock (UHF) formalism. An automatic active space selection scheme has also been implemented such that calculations can be performed in a black-box fashion. It is observed that both the canonical and automatic active space selecting similarity transformed equation of motion (STEOM) approaches perform about as well as the more expensive equation of motion coupled-cluster singles doubles (EOM-CCSD) method for the calculation of the excitation energies of doublet radicals. The automatic active space selecting UHF STEOM approach can therefore be employed as a viable, lower scaling alternative to UHF EOM-CCSD for the calculation of excited states in high-spin open-shell systems.

Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems

Science.gov (United States)

Huntington, Lee M. J.; Krupička, Martin; Neese, Frank; Izsák, Róbert

2017-11-01

The similarity transformed equation of motion coupled-cluster approach is extended for applications to high-spin open-shell systems, within the unrestricted Hartree-Fock (UHF) formalism. An automatic active space selection scheme has also been implemented such that calculations can be performed in a black-box fashion. It is observed that both the canonical and automatic active space selecting similarity transformed equation of motion (STEOM) approaches perform about as well as the more expensive equation of motion coupled-cluster singles doubles (EOM-CCSD) method for the calculation of the excitation energies of doublet radicals. The automatic active space selecting UHF STEOM approach can therefore be employed as a viable, lower scaling alternative to UHF EOM-CCSD for the calculation of excited states in high-spin open-shell systems.

Differences between quadratic equations and functions: Indonesian pre-service secondary mathematics teachers’ views

Science.gov (United States)

Aziz, T. A.; Pramudiani, P.; Purnomo, Y. W.

2018-01-01

Difference between quadratic equation and quadratic function as perceived by Indonesian pre-service secondary mathematics teachers (N = 55) who enrolled at one private university in Jakarta City was investigated. Analysis of participants’ written responses and interviews were conducted consecutively. Participants’ written responses highlighted differences between quadratic equation and function by referring to their general terms, main characteristics, processes, and geometrical aspects. However, they showed several obstacles in describing the differences such as inappropriate constraints and improper interpretations. Implications of the study are discussed.

Exploiting Group Symmetry in Semidefinite Programming Relaxations of the Quadratic Assignment Problem

NARCIS (Netherlands)

de Klerk, E.; Sotirov, R.

2007-01-01

We consider semidefinite programming relaxations of the quadratic assignment problem, and show how to exploit group symmetry in the problem data. Thus we are able to compute the best known lower bounds for several instances of quadratic assignment problems from the problem library: [R.E. Burkard,

Staff turnover in hotels : exploring the quadratic and linear relationships.

OpenAIRE

Mohsin, A.; Lengler, J.F.B.; Aguzzoli, R.L.

2015-01-01

The aim of this study is to assess whether the relationship between intention to leave the job and its antecedents is quadratic or linear. To explore those relationships a theoretical model (see Fig. 1) and eight hypotheses are proposed. Each linear hypothesis is followed by an alternative quadratic hypothesis. The alternative hypotheses propose that the relationship between the four antecedent constructs and intention to leave the job might not be linear, as the existing literature suggests....

Quadratic partial eigenvalue assignment in large-scale stochastic dynamic systems for resilient and economic design

Energy Technology Data Exchange (ETDEWEB)

Das, Sonjoy; Goswami, Kundan [University at Buffalo, NY (United States); Datta, Biswa N. [Northern Illinois University, IL (United States)

2014-12-10

Failure of structural systems under dynamic loading can be prevented via active vibration control which shifts the damped natural frequencies of the systems away from the dominant range of loading spectrum. The damped natural frequencies and the dynamic load typically show significant variations in practice. A computationally efficient methodology based on quadratic partial eigenvalue assignment technique and optimization under uncertainty has been formulated in the present work that will rigorously account for these variations and result in an economic and resilient design of structures. A novel scheme based on hierarchical clustering and importance sampling is also developed in this work for accurate and efficient estimation of probability of failure to guarantee the desired resilience level of the designed system. Numerical examples are presented to illustrate the proposed methodology.

Quadratic partial eigenvalue assignment in large-scale stochastic dynamic systems for resilient and economic design

International Nuclear Information System (INIS)

Das, Sonjoy; Goswami, Kundan; Datta, Biswa N.

2014-01-01

Failure of structural systems under dynamic loading can be prevented via active vibration control which shifts the damped natural frequencies of the systems away from the dominant range of loading spectrum. The damped natural frequencies and the dynamic load typically show significant variations in practice. A computationally efficient methodology based on quadratic partial eigenvalue assignment technique and optimization under uncertainty has been formulated in the present work that will rigorously account for these variations and result in an economic and resilient design of structures. A novel scheme based on hierarchical clustering and importance sampling is also developed in this work for accurate and efficient estimation of probability of failure to guarantee the desired resilience level of the designed system. Numerical examples are presented to illustrate the proposed methodology

bcl::Cluster : A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System.

Science.gov (United States)

Alexander, Nathan; Woetzel, Nils; Meiler, Jens

2011-02-01

Clustering algorithms are used as data analysis tools in a wide variety of applications in Biology. Clustering has become especially important in protein structure prediction and virtual high throughput screening methods. In protein structure prediction, clustering is used to structure the conformational space of thousands of protein models. In virtual high throughput screening, databases with millions of drug-like molecules are organized by structural similarity, e.g. common scaffolds. The tree-like dendrogram structure obtained from hierarchical clustering can provide a qualitative overview of the results, which is important for focusing detailed analysis. However, in practice it is difficult to relate specific components of the dendrogram directly back to the objects of which it is comprised and to display all desired information within the two dimensions of the dendrogram. The current work presents a hierarchical agglomerative clustering method termed bcl::Cluster. bcl::Cluster utilizes the Pymol Molecular Graphics System to graphically depict dendrograms in three dimensions. This allows simultaneous display of relevant biological molecules as well as additional information about the clusters and the members comprising them.

orthogonal and scaling transformations of quadratic functions

African Journals Online (AJOL)

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functions of sub-problems of various nonlinear programming problems that employ methods such as sequential quadratic programming and trust-region methods (Sorensen, 1982; Eldersveld,. 1991; Nocedal and Wright, 1999). Various problems in Algebra, Functional Analysis,. Analytic Geometry and Computational Mathe-.

Smoothing optimization of supporting quadratic surfaces with Zernike polynomials

Science.gov (United States)

Zhang, Hang; Lu, Jiandong; Liu, Rui; Ma, Peifu

2018-03-01

A new optimization method to get a smooth freeform optical surface from an initial surface generated by the supporting quadratic method (SQM) is proposed. To smooth the initial surface, a 9-vertex system from the neighbor quadratic surface and the Zernike polynomials are employed to establish a linear equation system. A local optimized surface to the 9-vertex system can be build by solving the equations. Finally, a continuous smooth optimization surface is constructed by stitching the above algorithm on the whole initial surface. The spot corresponding to the optimized surface is no longer discrete pixels but a continuous distribution.

Quadratic forms for Feynman-Kac semigroups

International Nuclear Information System (INIS)

Hibey, Joseph L.; Charalambous, Charalambos D.

2006-01-01

Some problems in a stochastic setting often involve the need to evaluate the Feynman-Kac formula that follows from models described in terms of stochastic differential equations. Equivalent representations in terms of partial differential equations are also of interest, and these establish the well-known connection between probabilistic and deterministic formulations of these problems. In this Letter, this connection is studied in terms of the quadratic form associated with the Feynman-Kac semigroup. The probability measures that naturally arise in this approach, and thus define how Brownian motion is killed at a specified rate while exiting a set, are interpreted as a random time change of the original stochastic differential equation. Furthermore, since random time changes alter the diffusion coefficients in stochastic differential equations while Girsanov-type measure transformations alter their drift coefficients, their simultaneous use should lead to more tractable solutions for some classes of problems. For example, the minimization of some quadratic forms leads to solutions that satisfy certain partial differential equations and, therefore, the techniques discussed provide a variational approach for finding these solutions

Decay constants for pulsed monoenergetic neutron systems with quadratically anisotropic scattering

International Nuclear Information System (INIS)

Sjoestrand, N.G.

1977-06-01

The eigenvalues of the time-dependent transport equation for monoenergetic neutrons have been studied numerically for various combinations of linearly and quadratically anisotropic scattering assuming a space dependence of e β . The results, presented in the form of tables and graphs, show that quadratic anisotropy leads to a more complicated eigenvalue spectrum. However, no drastic changes occur in comparison to purely linear anistropy.(author)

Permanent vegetation quadrats on Olkiluoto island. Establishment and results from the first inventory

Energy Technology Data Exchange (ETDEWEB)

Huhta, A.P.; Korpela, L. [Finnish Forest Research Institute, Helsinki (Finland)

2006-05-15

This report describes in detail the vegetation quadrats established inside the permanent, follow-up sample plots (Forest Extensive High-level monitoring plots, FEH) on Olkiluoto Island. During summer 2005 a total of 94 sample plots (a 30 m{sup 2}), each containing eight quadrats (a 1m{sup 2}), were investigated. The total number of sampled quadrats was 752. Seventy of the 94 plots represent coniferous stands: 57 Norway spruce-dominated and 13 Scots pine-dominated stands. Ten of the plots represent deciduous, birch-dominated (Betula spp.) stands, 7 plots common alder-dominated (Alnus glutinosa) stands, and seven plots are mires. The majority of the coniferous tree stands were growing on sites representing various succession stages of the Myrtillus, Vaccinium-Myrtillus and Deschampsia-Myrtillus forest site types. The pine-dominated stands growing on exposed bedrock clearly differed from the other coniferous stands: the vegetation was characterised by the Cladina, Calluna-Cladina and Empetrum-Vaccinium vitis-idaea/Vaccinium Myrtillus forest site types. The deciduous stands were characterized by tall grasses, especially Calamagrostis epigejos, C. purpurea and Deschampsia flexuosa. The vegetation of the deciduous stands dominated by common alder represented grove-like sites and seashore groves. Typical species for mires included Calamagrostis purpurea, Calla palustris, Equisetum sylvaticum, and especially white mosses (Sphagnum spp.). A total of 184 vascular plant species were found growing within the quadrats. Due to the high number of quadrats in these forests, the spruce stands had the highest total number of species, but the birch and alder-dominated forests had the highest average number of species per quadrat. This basic inventory of the permanent vegetation quadrats on Olkiluoto Island provides a sound starting point for future vegetation surveys. Guidelines for future inventories and supplementary sampling are given in the discussion part of this report. (orig.)

Permanent vegetation quadrats on Olkiluoto island. Establishment and results from the first inventory

International Nuclear Information System (INIS)

Huhta, A.P.; Korpela, L.

2006-05-01

This report describes in detail the vegetation quadrats established inside the permanent, follow-up sample plots (Forest Extensive High-level monitoring plots, FEH) on Olkiluoto Island. During summer 2005 a total of 94 sample plots (a 30 m 2 ), each containing eight quadrats (a 1m 2 ), were investigated. The total number of sampled quadrats was 752. Seventy of the 94 plots represent coniferous stands: 57 Norway spruce-dominated and 13 Scots pine-dominated stands. Ten of the plots represent deciduous, birch-dominated (Betula spp.) stands, 7 plots common alder-dominated (Alnus glutinosa) stands, and seven plots are mires. The majority of the coniferous tree stands were growing on sites representing various succession stages of the Myrtillus, Vaccinium-Myrtillus and Deschampsia-Myrtillus forest site types. The pine-dominated stands growing on exposed bedrock clearly differed from the other coniferous stands: the vegetation was characterised by the Cladina, Calluna-Cladina and Empetrum-Vaccinium vitis-idaea/Vaccinium Myrtillus forest site types. The deciduous stands were characterized by tall grasses, especially Calamagrostis epigejos, C. purpurea and Deschampsia flexuosa. The vegetation of the deciduous stands dominated by common alder represented grove-like sites and seashore groves. Typical species for mires included Calamagrostis purpurea, Calla palustris, Equisetum sylvaticum, and especially white mosses (Sphagnum spp.). A total of 184 vascular plant species were found growing within the quadrats. Due to the high number of quadrats in these forests, the spruce stands had the highest total number of species, but the birch and alder-dominated forests had the highest average number of species per quadrat. This basic inventory of the permanent vegetation quadrats on Olkiluoto Island provides a sound starting point for future vegetation surveys. Guidelines for future inventories and supplementary sampling are given in the discussion part of this report. (orig.)

Geometry and transport in a model of two coupled quadratic nonlinear waveguides

DEFF Research Database (Denmark)

Stirling, James R.; Bang, Ole; Christiansen, Peter Leth

2008-01-01

This paper applies geometric methods developed to understand chaos and transport in Hamiltonian systems to the study of power distribution in nonlinear waveguide arrays. The specific case of two linearly coupled X(2) waveguides is modeled and analyzed in terms of transport and geometry in the pha...

Estimating factors influencing the detection probability of semiaquatic freshwater snails using quadrat survey methods

Science.gov (United States)

Roesler, Elizabeth L.; Grabowski, Timothy B.

2018-01-01

Developing effective monitoring methods for elusive, rare, or patchily distributed species requires extra considerations, such as imperfect detection. Although detection is frequently modeled, the opportunity to assess it empirically is rare, particularly for imperiled species. We used Pecos assiminea (Assiminea pecos), an endangered semiaquatic snail, as a case study to test detection and accuracy issues surrounding quadrat searches. Quadrats (9 × 20 cm; n = 12) were placed in suitable Pecos assiminea habitat and randomly assigned a treatment, defined as the number of empty snail shells (0, 3, 6, or 9). Ten observers rotated through each quadrat, conducting 5-min visual searches for shells. The probability of detecting a shell when present was 67.4 ± 3.0%, but it decreased with the increasing litter depth and fewer number of shells present. The mean (± SE) observer accuracy was 25.5 ± 4.3%. Accuracy was positively correlated to the number of shells in the quadrat and negatively correlated to the number of times a quadrat was searched. The results indicate quadrat surveys likely underrepresent true abundance, but accurately determine the presence or absence. Understanding detection and accuracy of elusive, rare, or imperiled species improves density estimates and aids in monitoring and conservation efforts.

STABILIZED SEQUENTIAL QUADRATIC PROGRAMMING: A SURVEY

Directory of Open Access Journals (Sweden)

Damián Fernández

2014-12-01

Full Text Available We review the motivation for, the current state-of-the-art in convergence results, and some open questions concerning the stabilized version of the sequential quadratic programming algorithm for constrained optimization. We also discuss the tools required for its local convergence analysis, globalization challenges, and extentions of the method to the more general variational problems.

Quaternion orders, quadratic forms, and Shimura curves

CERN Document Server

Alsina, Montserrat

2004-01-01

Shimura curves are a far-reaching generalization of the classical modular curves. They lie at the crossroads of many areas, including complex analysis, hyperbolic geometry, algebraic geometry, algebra, and arithmetic. The text provides an introduction to the subject from a theoretic and algorithmic perspective. The main topics covered in it are Shimura curves defined over the rational number field, the construction of their fundamental domains, and the determination of their complex multiplication points. The study of complex multiplication points in Shimura curves leads to the study of families of binary quadratic forms with algebraic coefficients and to their classification by arithmetic Fuchsian groups. In this regard, the authors develop a theory full of new possibilities which parallels Gauss' theory on the classification of binary quadratic forms with integral coefficients by the action of the modular group. Each topic covered in the book begins with a theoretical discussion followed by carefully worked...

Coherent states of systems with quadratic Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Bagrov, V.G., E-mail: bagrov@phys.tsu.ru [Department of Physics, Tomsk State University, Tomsk (Russian Federation); Gitman, D.M., E-mail: gitman@if.usp.br [Tomsk State University, Tomsk (Russian Federation); Pereira, A.S., E-mail: albertoufcg@hotmail.com [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Instituto de Fisica

2015-06-15

Different families of generalized coherent states (CS) for one-dimensional systems with general time-dependent quadratic Hamiltonian are constructed. In principle, all known CS of systems with quadratic Hamiltonian are members of these families. Some of the constructed generalized CS are close enough to the well-known due to Schroedinger and Glauber CS of a harmonic oscillator; we call them simply CS. However, even among these CS, there exist different families of complete sets of CS. These families differ by values of standard deviations at the initial time instant. According to the values of these initial standard deviations, one can identify some of the families with semiclassical CS. We discuss properties of the constructed CS, in particular, completeness relations, minimization of uncertainty relations and so on. As a unknown application of the general construction, we consider different CS of an oscillator with a time dependent frequency. (author)

Coherent states of systems with quadratic Hamiltonians

International Nuclear Information System (INIS)

Bagrov, V.G.; Gitman, D.M.; Pereira, A.S.

2015-01-01

Different families of generalized coherent states (CS) for one-dimensional systems with general time-dependent quadratic Hamiltonian are constructed. In principle, all known CS of systems with quadratic Hamiltonian are members of these families. Some of the constructed generalized CS are close enough to the well-known due to Schroedinger and Glauber CS of a harmonic oscillator; we call them simply CS. However, even among these CS, there exist different families of complete sets of CS. These families differ by values of standard deviations at the initial time instant. According to the values of these initial standard deviations, one can identify some of the families with semiclassical CS. We discuss properties of the constructed CS, in particular, completeness relations, minimization of uncertainty relations and so on. As a unknown application of the general construction, we consider different CS of an oscillator with a time dependent frequency. (author)

Fast, multiple optimizations of quadratic dose objective functions in IMRT

International Nuclear Information System (INIS)

Breedveld, Sebastiaan; Storchi, Pascal R M; Keijzer, Marleen; Heijmen, Ben J M

2006-01-01

Inverse treatment planning for intensity-modulated radiotherapy may include time consuming, multiple minimizations of an objective function. In this paper, methods are presented to speed up the process of (repeated) minimization of the well-known quadratic dose objective function, extended with a smoothing term that ensures generation of clinically acceptable beam profiles. In between two subsequent optimizations, the voxel-dependent importance factors of the quadratic terms will generally be adjusted, based on an intermediate plan evaluation. The objective function has been written in matrix-vector format, facilitating the use of a recently published, fast quadratic minimization algorithm, instead of commonly applied gradient-based methods. This format also reduces the calculation time in between subsequent minimizations, related to adjustment of the voxel-dependent importance factors. Sparse matrices are used to limit the required amount of computer memory. For three patients, comparisons have been made with a gradient method. Mean speed improvements of up to a factor of 37 have been achieved

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory.

Science.gov (United States)

Hummel, Felix; Tsatsoulis, Theodoros; Grüneis, Andreas

2017-03-28

We study a tensor hypercontraction decomposition of the Coulomb integrals of periodic systems where the integrals are factorized into a contraction of six matrices of which only two are distinct. We find that the Coulomb integrals can be well approximated in this form already with small matrices compared to the number of real space grid points. The cost of computing the matrices scales as O(N 4 ) using a regularized form of the alternating least squares algorithm. The studied factorization of the Coulomb integrals can be exploited to reduce the scaling of the computational cost of expensive tensor contractions appearing in the amplitude equations of coupled cluster methods with respect to system size. We apply the developed methodologies to calculate the adsorption energy of a single water molecule on a hexagonal boron nitride monolayer in a plane wave basis set and periodic boundary conditions.

Lanczos-driven coupled-cluster damped linear response theory for molecules in polarizable environments

DEFF Research Database (Denmark)

List, Nanna Holmgaard; Coriani, Sonia; Kongsted, Jacob

2014-01-01

are specifically motivated by a twofold aim: (i) computation of core excitations in realistic surroundings and (ii) examination of the effect of the differential response of the environment upon excitation solely related to the CC multipliers (herein denoted the J matrix) in computations of excitation energies......We present an extension of a previously reported implementation of a Lanczos-driven coupled-cluster (CC) damped linear response approach to molecules in condensed phases, where the effects of a surrounding environment are incorporated by means of the polarizable embedding formalism. We...... and transition moments of polarizable-embedded molecules. Numerical calculations demonstrate that the differential polarization of the environment due to the first-order CC multipliers provides only minor contributions to the solvatochromic shift for all transitions considered. We thus complement previous works...

Relativistic Coupled Cluster (RCC) Computation of the Electric Dipole Moment Enhancement Factor of Francium Due to the Violation of Time Reversal Symmetry

NARCIS (Netherlands)

Mukherjee, Debashis; Sahoo, B. K.; Nataraj, H. S.; Das, B. P.

2009-01-01

A relativistic many-body theory for the electric dipole moment (EDM) of paramagnetic atoms arising from the electric dipole moment of the electron is presented and implemented. The relativistic coupled-cluster method with single and double excitations (RCCSD) using the Dirac-Coulomb Hamiltonian and

Gaussian-2 theory: Use of higher level correlation methods, quadratic configuration interaction geometries, and second-order Moller--Plesset zero-point energies

International Nuclear Information System (INIS)

Curtiss, L.A.; Raghavachari, K.; Pople, J.A.

1995-01-01

The performance of Gaussian-2 theory is investigated when higher level theoretical methods are included for correlation effects, geometries, and zero-point energies. A higher level of correlation treatment is examined using Brueckner doubles [BD(T)] and coupled cluster [CCSD(T)] methods rather than quadratic configuration interaction [QCISD(T)]. The use of geometries optimized at the QCISD level rather than the second-order Moller--Plesset level (MP2) and the use of scaled MP2 zero-point energies rather than scaled Hartree--Fock (HF) zero-point energies have also been examined. The set of 125 energies used for validation of G2 theory [J. Chem. Phys. 94, 7221 (1991)] is used to test out these variations of G2 theory. Inclusion of higher levels of correlation treatment has little effect except in the cases of multiply-bonded systems. In these cases better agreement is obtained in some cases and poorer agreement in others so that there is no improvement in overall performance. The use of QCISD geometries yields significantly better agreement with experiment for several cases including the ionization potentials of CS and O 2 , electron affinity of CN, and dissociation energies of N 2 , O 2 , CN, and SO 2 . This leads to a slightly better agreement with experiment overall. The MP2 zero-point energies gives no overall improvement. These methods may be useful for specific systems

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

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

Energy Technology Data Exchange (ETDEWEB)

Plyushchay, Mikhail S., E-mail: mikhail.plyushchay@usach.cl

2017-02-15

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

International Nuclear Information System (INIS)

Plyushchay, Mikhail S.

2017-01-01

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

DEFF Research Database (Denmark)

Elm, Jonas; Norman, Patrick; Bilde, Merete

2014-01-01

The Rayleigh and hyper Rayleigh scattering properties of the binary (H 2SO4)(H2O)n and ternary (H 2SO4)(NH3)(H2O)n clusters are investigated using a quantum mechanical response theory approach. The molecular Rayleigh scattering intensities are expressed using the dipole polarizability α...... and hyperpolarizability β tensors. Using density functional theory, we elucidate the effect of cluster morphology on the scattering properties using a combinatorial sampling approach. We find that the Rayleigh scattering intensity depends quadratically on the number of water molecules in the cluster and that a single...... ammonia molecule is able to induce a high anisotropy, which further increases the scattering intensity. The hyper Rayleigh scattering activities are found to be extremely low. This study presents the first attempt to map the scattering of atmospheric molecular clusters using a bottom-up approach...

Numerical solution of large nonlinear boundary value problems by quadratic minimization techniques

International Nuclear Information System (INIS)

Glowinski, R.; Le Tallec, P.

1984-01-01

The objective of this paper is to describe the numerical treatment of large highly nonlinear two or three dimensional boundary value problems by quadratic minimization techniques. In all the different situations where these techniques were applied, the methodology remains the same and is organized as follows: 1) derive a variational formulation of the original boundary value problem, and approximate it by Galerkin methods; 2) transform this variational formulation into a quadratic minimization problem (least squares methods) or into a sequence of quadratic minimization problems (augmented lagrangian decomposition); 3) solve each quadratic minimization problem by a conjugate gradient method with preconditioning, the preconditioning matrix being sparse, positive definite, and fixed once for all in the iterative process. This paper will illustrate the methodology above on two different examples: the description of least squares solution methods and their application to the solution of the unsteady Navier-Stokes equations for incompressible viscous fluids; the description of augmented lagrangian decomposition techniques and their application to the solution of equilibrium problems in finite elasticity

Distinct collective states due to trade-off between attractive and repulsive couplings

Science.gov (United States)

Sathiyadevi, K.; Chandrasekar, V. K.; Senthilkumar, D. V.; Lakshmanan, M.

2018-03-01

We investigate the effect of repulsive coupling together with an attractive coupling in a network of nonlocally coupled oscillators. To understand the complex interaction between these two couplings we introduce a control parameter in the repulsive coupling which plays a crucial role in inducing distinct complex collective patterns. In particular, we show the emergence of various cluster chimera death states through a dynamically distinct transition route, namely the oscillatory cluster state and coherent oscillation death state as a function of the repulsive coupling in the presence of the attractive coupling. In the oscillatory cluster state, the oscillators in the network are grouped into two distinct dynamical states of homogeneous and inhomogeneous oscillatory states. Further, the network of coupled oscillators follow the same transition route in the entire coupling range. Depending upon distinct coupling ranges, the system displays different number of clusters in the death state and oscillatory state. We also observe that the number of coherent domains in the oscillatory cluster state exponentially decreases with increase in coupling range and obeys a power-law decay. Additionally, we show analytical stability for observed solitary state, synchronized state, and incoherent oscillation death state.

Dhage Iteration Method for Generalized Quadratic Functional Integral Equations

Directory of Open Access Journals (Sweden)

Bapurao C. Dhage

2015-01-01

Full Text Available In this paper we prove the existence as well as approximations of the solutions for a certain nonlinear generalized quadratic functional integral equation. An algorithm for the solutions is developed and it is shown that the sequence of successive approximations starting at a lower or upper solution converges monotonically to the solutions of related quadratic functional integral equation under some suitable mixed hybrid conditions. We rely our main result on Dhage iteration method embodied in a recent hybrid fixed point theorem of Dhage (2014 in partially ordered normed linear spaces. An example is also provided to illustrate the abstract theory developed in the paper.

Subgroups of class groups of algebraic quadratic function fields

International Nuclear Information System (INIS)

Wang Kunpeng; Zhang Xianke

2001-09-01

Ideal class groups H(K) of algebraic quadratic function fields K are studied, by using mainly the theory of continued fractions of algebraic functions. Properties of such continued fractions are discussed first. Then a necessary and sufficient condition is given for the class group H(K) to contain a cyclic subgroup of any order n, this criterion condition holds true for both real and imaginary fields K. Furthermore, several series of function fields K, including real, inertia imaginary, as well as ramified imaginary quadratic function fields, are given, and their class groups H(K) are proved to contain cyclic subgroups of order n. (author)

Study of coupled-cluster correlations on electromagnetic transitions and hyperfine structure constants of W VI

International Nuclear Information System (INIS)

Bhowmik, Anal; Majumder, Sonjoy; Roy, Sourav; Dutta, Narendra Nath

2017-01-01

This work presents precise calculations of important electromagnetic transition amplitudes along with details of their many-body correlations using the relativistic coupled-cluster method. Studies of hyperfine interaction constants, useful for plasma diagnostics, with this correlation exhaustive many-body approach, are another important area of this work. The calculated oscillator strengths of allowed transitions, amplitudes of forbidden transitions and lifetimes are compared with the other theoretical results wherever available and they show a good agreement. Hyperfine constants of different isotopes of W VI, presented in this paper, will be helpful in gaining an accurate picture of the abundances of this element in different astronomical bodies. (paper)

X-ray aspects of the DAFT/FADA clusters

Science.gov (United States)

Guennou, L.; Durret, F.; Lima Neto, G. B.; Adami, C.

2012-12-01

We have undertaken the DAFT/FADA survey with the aim of applying constraints on dark energy based on weak lensing tomography as well as obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range [0.4,0.9] for which there are HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. We present preliminary results on the coupled X-ray and dynamical analyses of these clusters.

Mechanism of electron attachment to van der Waals clusters: Application to carbon dioxide clusters

International Nuclear Information System (INIS)

Tsukada, M.; Shima, N.; Tsuneyuki, S.; Kageshima, H.; Kondow, T.

1987-01-01

A theory on the attachment of very slow electrons to van der Waals clusters was developed on the basis of the electronic structure theory, and was applied to clarify the mechanism of the collisional electron transfer from a high-Rydberg atom to a CO 2 cluster. The strong coupled electron--phonon model is found to afford a reasonable mechanism of the attachment. The equilibrium geometry of (CO 2 )/sub N/ (2≤N≤13) clusters are determined and their vertical affinity levels are obtained by the DV-X α-transition state method. Using this information, as well as some plausible assumptions on the values of the coupling constants, the attachment cross section σ is evaluated as a function of the energy of the incident electron. The theory predicts the existence of the threshold cluster size for the attachment and a sharp decrease of σ with the energy, which are consistent with the experimental results

Genetic algorithm–based varying parameter linear quadratic regulator control for four-wheel independent steering vehicle

Directory of Open Access Journals (Sweden)

Linlin Gao

2015-11-01

Full Text Available From the perspective of vehicle dynamics, the four-wheel independent steering vehicle dynamics stability control method is studied, and a four-wheel independent steering varying parameter linear quadratic regulator control system is proposed with the help of expert control method. In the article, a four-wheel independent steering linear quadratic regulator controller for model following purpose is designed first. Then, by analyzing the four-wheel independent steering vehicle dynamic characteristics and the influence of linear quadratic regulator control parameters on control performance, a linear quadratic regulator control parameter adjustment strategy based on vehicle steering state is proposed to achieve the adaptive adjustment of linear quadratic regulator control parameters. In addition, to further improve the control performance, the proposed varying parameter linear quadratic regulator control system is optimized by genetic algorithm. Finally, simulation studies have been conducted by applying the proposed control system to the 8-degree-of-freedom four-wheel independent steering vehicle dynamics model. The simulation results indicate that the proposed control system has better performance and robustness and can effectively improve the stability and steering safety of the four-wheel independent steering vehicle.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Kowalski, K., E-mail: karol.kowalski@pnnl.gov; Bhaskaran-Nair, K.; Shelton, W. A. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352 (United States)

2014-09-07

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N − 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N − 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. As a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Kowalski, K. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA; Bhaskaran-Nair, K. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA; Shelton, W. A. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA

2014-09-07

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N - 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N - 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. Finally, as a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

International Nuclear Information System (INIS)

Kowalski, K.; Bhaskaran-Nair, K.; Shelton, W. A.

2014-01-01

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N − 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N − 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. As a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function

A comparative analysis of DBSCAN, K-means, and quadratic variation algorithms for automatic identification of swallows from swallowing accelerometry signals.

Science.gov (United States)

Dudik, Joshua M; Kurosu, Atsuko; Coyle, James L; Sejdić, Ervin

2015-04-01

Cervical auscultation with high resolution sensors is currently under consideration as a method of automatically screening for specific swallowing abnormalities. To be clinically useful without human involvement, any devices based on cervical auscultation should be able to detect specified swallowing events in an automatic manner. In this paper, we comparatively analyze the density-based spatial clustering of applications with noise algorithm (DBSCAN), a k-means based algorithm, and an algorithm based on quadratic variation as methods of differentiating periods of swallowing activity from periods of time without swallows. These algorithms utilized swallowing vibration data exclusively and compared the results to a gold standard measure of swallowing duration. Data was collected from 23 subjects that were actively suffering from swallowing difficulties. Comparing the performance of the DBSCAN algorithm with a proven segmentation algorithm that utilizes k-means clustering demonstrated that the DBSCAN algorithm had a higher sensitivity and correctly segmented more swallows. Comparing its performance with a threshold-based algorithm that utilized the quadratic variation of the signal showed that the DBSCAN algorithm offered no direct increase in performance. However, it offered several other benefits including a faster run time and more consistent performance between patients. All algorithms showed noticeable differentiation from the endpoints provided by a videofluoroscopy examination as well as reduced sensitivity. In summary, we showed that the DBSCAN algorithm is a viable method for detecting the occurrence of a swallowing event using cervical auscultation signals, but significant work must be done to improve its performance before it can be implemented in an unsupervised manner. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

OpenAIRE

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

2006-01-01

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

Electron laser acceleration in vacuum by a quadratically chirped laser pulse

International Nuclear Information System (INIS)

Salamin, Yousef I; Jisrawi, Najeh M

2014-01-01

Single MeV electrons in vacuum subjected to single high-intensity quadratically chirped laser pulses are shown to gain multi-GeV energies. The laser pulses are modelled by finite-duration trapezoidal and cos  2 pulse-shapes and the equations of motion are solved numerically. It is found that, typically, the maximum energy gain from interaction with a quadratic chirp is about half of what would be gained from a linear chirp. (paper)

Coupled Photonic Crystal Cavity Array Laser

DEFF Research Database (Denmark)

Schubert, Martin

in the quadratic lattice. Processing techniques are developed and optimized in order fabricate photonic crystals membranes in gallium arsenide with quantum dots as gain medium and in indium gallium arsenide phosphide with quantum wells as gain medium. Several key issues in process to ensure good quality....... The results are in good agreement with standard coupled mode theory. Also a novel type of photonic crystal structure is proposed called lambda shifted cavity which is a twodimensional photonic crystal laser analog of a VCSEL laser. Detailed measurements of the coupled modes in the photonic crystals...... with quantum dots are carried out. In agreement with a simple gain model the structures do not show stimulated emission. The spectral splitting due to the coupling between single cavities as well as arrays of cavities is studied theoretically and experimentally. Lasing is observed for photonic crystal cavity...

Clustering of noise-induced oscillations

DEFF Research Database (Denmark)

Sosnovtseva, Olga; Fomin, A I; Postnov, D E

2001-01-01

The subject of our study is clustering in a population of excitable systems driven by Gaussian white noise and with randomly distributed coupling strength. The cluster state is frequency-locked state in which all functional units run at the same noise-induced frequency. Cooperative dynamics...

Quadratic reactivity fuel cycle model

International Nuclear Information System (INIS)

Lewins, J.D.

1985-01-01

For educational purposes it is highly desirable to provide simple yet realistic models for fuel cycle and fuel economy. In particular, a lumped model without recourse to detailed spatial calculations would be very helpful in providing the student with a proper understanding of the purposes of fuel cycle calculations. A teaching model for fuel cycle studies based on a lumped model assuming the summability of partial reactivities with a linear dependence of reactivity usefully illustrates fuel utilization concepts. The linear burnup model does not satisfactorily represent natural enrichment reactors. A better model, showing the trend of initial plutonium production before subsequent fuel burnup and fission product generation, is a quadratic fit. The study of M-batch cycles, reloading 1/Mth of the core at end of cycle, is now complicated by nonlinear equations. A complete account of the asymptotic cycle for any order of M-batch refueling can be given and compared with the linear model. A complete account of the transient cycle can be obtained readily in the two-batch model and this exact solution would be useful in verifying numerical marching models. It is convenient to treat the parabolic fit rho = 1 - tau 2 as a special case of the general quadratic fit rho = 1 - C/sub tau/ - (1 - C)tau 2 in suitably normalized reactivity and cycle time units. The parabolic results are given in this paper

Spectroscopic factors with coupled-cluster connecting ab initio nuclear structure to reactions

International Nuclear Information System (INIS)

Jensen, Oeyvind

2011-02-01

This thesis has two parts. Tools and theory are presented in the first part, and papers with specific applications to nuclear physics are collected in the second part. A synopsis of theoretical foundations and basic techniques for many body quantum physics is presented in the context of a computer implementation of Wick's theorem for the symbolic algebra system SymPy. A pedagogical introduction to the implemented Python module is presented, and non-trivial aspects of the implemented simplification algorithms are discussed. Computer aided manipulations of second quantization expressions relieves practitioners of laborious and error-prone hand calculations necessary for the derivation of programmable equations. Theoretical developments of the Coupled-Cluster method (CCM) at Singles- and-Doubles level (CCSD) for the calculation of spectroscopic factors (SF) and radial overlap functions are presented. Algebraic expressions are derived from novel diagram techniques. CCM is one of the most successful methods for accurate numerical quantum mechanical simulations of medium sized many-body systems studied within Chemistry and Nuclear Physics. The recently developed spherical formulation of CCM is presented and alternative coupling schemes of quantum mechanical angular momentum are discussed in the context of a computer implementation for Racah algebra with SymPy. A pedagogical introduction to this functionality is given and it is used to derive angular momentum coupled expressions for efficient calculation of the spectroscopic factor diagrams. The first research paper presents a calculation of spectroscopic factors with CCSD. Details of the calculation is presented and convergence properties, as well as the dependence on various model parameters are discussed. Interactions with different cut-offs are employed and the dependence of the SF on the interactions are studied. In the second paper we employ the angular momentum coupled SF expressions and the spherical formulation

Integrable Hamiltonian systems and interactions through quadratic constraints

International Nuclear Information System (INIS)

Pohlmeyer, K.

1975-08-01

Osub(n)-invariant classical relativistic field theories in one time and one space dimension with interactions that are entirely due to quadratic constraints are shown to be closely related to integrable Hamiltonian systems. (orig.) [de

Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation

KAUST Repository

Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank; Cavallo, Luigi

2017-01-01

In this work, we tested canonical and domain based pair natural orbital coupled cluster methods (CCSD(T) and DLPNO-CCSD(T), respectively) for a set of 32 ligand exchange and association/dissociation reaction enthalpies involving ionic complexes

Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures

Energy Technology Data Exchange (ETDEWEB)

Anisimov, Victor; Bauer, Gregory H.; Chadalavada, Kalyana; Olson, Ryan M.; Glenski, Joseph W.; Kramer, William T.; Apra, Edoardo; Kowalski, Karol

2014-09-04

Coupled cluster singles and doubles (CCSD) algorithm has been optimized in NWChem software package. This modification alleviated the communication bottleneck and provided from 2- to 5-fold speedup in the CCSD iteration time depending on the problem size and available memory. Sustained 0.60 petaflop/sec performance on CCSD(T) calculation has been obtained on NCSA Blue Waters. This number included all stages of the calculation from initialization till termination, iterative computation of single and double excitations, and perturbative accounting for triple excitations. In the section of perturbative triples alone, the computation maintained 1.18 petaflop/sec performance level. CCSD computations have been performed on Guanine-Cytosine deoxydinucleotide monophosphate (GC-dDMP) to probe the conformational energy difference in DNA single strand in A- and B-conformations. The computation revealed significant discrepancy between CCSD and classical force fields in prediction of relative energy of A- and B-conformations of GC-dDMP.

A valence-universal coupled-cluster single- and double-excitations method for atoms: Pt. 3

International Nuclear Information System (INIS)

Jankowski, K.; Malinowski, P.

1994-01-01

To better understand the problems met when solving the equations of VU-CC approaches in the presence of intruder states, we are concerned with the following aspects of the solvability problem for sets of non-linear equations: the existence and properties of multiple solutions and the attainability of these solutions by means of various numerical methods. Our study is concentrated on the equations obtained for Be within the framework of the recently formulated atomically oriented form of the valence-universal coupled-cluster theory accounting for one- and two-electron excitations (VU-CCSD/R) and based on the complete model space (2s 2 , 2p 2 ). Six pairs of multiple solutions representing four 1 S states are found and discussed. Three of these solutions provide amplitudes describing the 2p 2 1 S state for which the intruder state problem has been considered as extremely serious. Several known numerical methods have been applied to solve the same set of non-linear equations for the two-valence cluster amplitudes. It is shown that these methods perform quite differently in the presence of intruder states, which seems to indicate that the intruder state problem for VU-CC methods is partly caused by the commonly used methods of solving the non-linear equations. (author)

A Numerical Approximation Framework for the Stochastic Linear Quadratic Regulator on Hilbert Spaces

Energy Technology Data Exchange (ETDEWEB)

Levajković, Tijana, E-mail: tijana.levajkovic@uibk.ac.at, E-mail: t.levajkovic@sf.bg.ac.rs; Mena, Hermann, E-mail: hermann.mena@uibk.ac.at [University of Innsbruck, Department of Mathematics (Austria); Tuffaha, Amjad, E-mail: atufaha@aus.edu [American University of Sharjah, Department of Mathematics (United Arab Emirates)

2017-06-15

We present an approximation framework for computing the solution of the stochastic linear quadratic control problem on Hilbert spaces. We focus on the finite horizon case and the related differential Riccati equations (DREs). Our approximation framework is concerned with the so-called “singular estimate control systems” (Lasiecka in Optimal control problems and Riccati equations for systems with unbounded controls and partially analytic generators: applications to boundary and point control problems, 2004) which model certain coupled systems of parabolic/hyperbolic mixed partial differential equations with boundary or point control. We prove that the solutions of the approximate finite-dimensional DREs converge to the solution of the infinite-dimensional DRE. In addition, we prove that the optimal state and control of the approximate finite-dimensional problem converge to the optimal state and control of the corresponding infinite-dimensional problem.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-03-21

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

Full thermomechanical coupling in modelling of micropolar thermoelasticity

Science.gov (United States)

Murashkin, E. V.; Radayev, Y. N.

2018-04-01

The present paper is devoted to plane harmonic waves of displacements and microrotations propagating in fully coupled thermoelastic continua. The analysis is carried out in the framework of linear conventional thermoelastic micropolar continuum model. The reduced energy balance equation and the special form of the Helmholtz free energy are discussed. The constitutive constants providing fully coupling of equations of motion and heat conduction are considered. The dispersion equation is derived and analysed in the form bi-cubic and bi-quadratic polynoms product. The equation are analyzed by the computer algebra system Mathematica. Algebraic forms expressed by complex multivalued square and cubic radicals are obtained for wavenumbers of transverse and longitudinal waves. The exact forms of wavenumbers of a plane harmonic coupled thermoelastic waves are computed.

Exact solutions for an oscillator with anti-symmetric quadratic nonlinearity

Science.gov (United States)

Beléndez, A.; Martínez, F. J.; Beléndez, T.; Pascual, C.; Alvarez, M. L.; Gimeno, E.; Arribas, E.

2018-04-01

Closed-form exact solutions for an oscillator with anti-symmetric quadratic nonlinearity are derived from the first integral of the nonlinear differential equation governing the behaviour of this oscillator. The mathematical model is an ordinary second order differential equation in which the sign of the quadratic nonlinear term changes. Two parameters characterize this oscillator: the coefficient of the linear term and the coefficient of the quadratic term. Not only the common case in which both coefficients are positive but also all possible combinations of positive and negative signs of these coefficients which provide periodic motions are considered, giving rise to four different cases. Three different periods and solutions are obtained, since the same result is valid in two of these cases. An interesting feature is that oscillatory motions whose equilibrium points are not at x = 0 are also considered. The periods are given in terms of an incomplete or complete elliptic integral of the first kind, and the exact solutions are expressed as functions including Jacobi elliptic cosine or sine functions.

Association schemes perspective of microbubble cluster in ultrasonic fields.

Science.gov (United States)

Behnia, S; Yahyavi, M; Habibpourbisafar, R

2018-06-01

Dynamics of a cluster of chaotic oscillators on a network are studied using coupled maps. By introducing the association schemes, we obtain coupling strength in the adjacency matrices form, which satisfies Markov matrices property. We remark that in general, the stability region of the cluster of oscillators at the synchronization state is characterized by Lyapunov exponent which can be defined based on the N-coupled map. As a detailed physical example, dynamics of microbubble cluster in an ultrasonic field are studied using coupled maps. Microbubble cluster dynamics have an indicative highly active nonlinear phenomenon, were not easy to be explained. In this paper, a cluster of microbubbles with a thin elastic shell based on the modified Keller-Herring equation in an ultrasonic field is demonstrated in the framework of the globally coupled map. On the other hand, a relation between the microbubble elements is replaced by a relation between the vertices. Based on this method, the stability region of microbubbles pulsations at complete synchronization state has been obtained analytically. In this way, distances between microbubbles as coupling strength play the crucial role. In the stability region, we thus observe that the problem of study of dynamics of N-microbubble oscillators reduce to that of a single microbubble. Therefore, the important parameters of the isolated microbubble such as applied pressure, driving frequency and the initial radius have effective behavior on the synchronization state. Copyright © 2018 Elsevier B.V. All rights reserved.

Accurate nonlocal theory for cascaded quadratic soliton compression

DEFF Research Database (Denmark)

Bache, Morten; Bang, Ole; Moses, Jeffrey

2007-01-01

We study soliton compression in bulk quadratic nonlinear materials at 800 nm, where group-velocity mismatch dominates. We develop a nonlocal theory showing that efficient compression depends strongly on characteristic nonlocal time scales related to pulse dispersion....

Quadratic grating apodized photon sieves for simultaneous multiplane microscopy

Science.gov (United States)

Cheng, Yiguang; Zhu, Jiangping; He, Yu; Tang, Yan; Hu, Song; Zhao, Lixin

2017-10-01

We present a new type of imaging device, named quadratic grating apodized photon sieve (QGPS), used as the objective for simultaneous multiplane imaging in X-rays. The proposed QGPS is structured based on the combination of two concepts: photon sieves and quadratic gratings. Its design principles are also expounded in detail. Analysis of imaging properties of QGPS in terms of point-spread function shows that QGPS can image multiple layers within an object field onto a single image plane. Simulated and experimental results in visible light both demonstrate the feasibility of QGPS for simultaneous multiplane imaging, which is extremely promising to detect dynamic specimens by X-ray microscopy in the physical and life sciences.

Application of the finite-field coupled-cluster method to calculate molecular properties relevant to electron electric-dipole-moment searches

Science.gov (United States)

Abe, M.; Prasannaa, V. S.; Das, B. P.

2018-03-01

Heavy polar diatomic molecules are currently among the most promising probes of fundamental physics. Constraining the electric dipole moment of the electron (e EDM ), in order to explore physics beyond the standard model, requires a synergy of molecular experiment and theory. Recent advances in experiment in this field have motivated us to implement a finite-field coupled-cluster (FFCC) approach. This work has distinct advantages over the theoretical methods that we had used earlier in the analysis of e EDM searches. We used relativistic FFCC to calculate molecular properties of interest to e EDM experiments, that is, the effective electric field (Eeff) and the permanent electric dipole moment (PDM). We theoretically determine these quantities for the alkaline-earth monofluorides (AEMs), the mercury monohalides (Hg X ), and PbF. The latter two systems, as well as BaF from the AEMs, are of interest to e EDM searches. We also report the calculation of the properties using a relativistic finite-field coupled-cluster approach with single, double, and partial triples' excitations, which is considered to be the gold standard of electronic structure calculations. We also present a detailed error estimate, including errors that stem from our choice of basis sets, and higher-order correlation effects.

Fundamental quadratic variational principle underlying general relativity

International Nuclear Information System (INIS)

Atkins, W.K.

1983-01-01

The fundamental result of Lanczos is used in a new type of quadratic variational principle whose field equations are the Einstein field equations together with the Yang-Mills type equations for the Riemann curvature. Additionally, a spin-2 theory of gravity for the special case of the Einstein vacuum is discussed

Investigating Students' Mathematical Difficulties with Quadratic Equations

Science.gov (United States)

O'Connor, Bronwyn Reid; Norton, Stephen

2016-01-01

This paper examines the factors that hinder students' success in working with and understanding the mathematics of quadratic equations using a case study analysis of student error patterns. Twenty-five Year 11 students were administered a written test to examine their understanding of concepts and procedures associated with this topic. The…

Euclidean wormholes with minimally coupled scalar fields

International Nuclear Information System (INIS)

Ruz, Soumendranath; Modak, Bijan; Debnath, Subhra; Sanyal, Abhik Kumar

2013-01-01

A detailed study of quantum and semiclassical Euclidean wormholes for Einstein's theory with a minimally coupled scalar field has been performed for a class of potentials. Massless, constant, massive (quadratic in the scalar field) and inverse (linear) potentials admit the Hawking and Page wormhole boundary condition both in the classically forbidden and allowed regions. An inverse quartic potential has been found to exhibit a semiclassical wormhole configuration. Classical wormholes under a suitable back-reaction leading to a finite radius of the throat, where the strong energy condition is satisfied, have been found for the zero, constant, quadratic and exponential potentials. Treating such classical Euclidean wormholes as an initial condition, a late stage of cosmological evolution has been found to remain unaltered from standard Friedmann cosmology, except for the constant potential which under the back-reaction produces a term like a negative cosmological constant. (paper)

Interaction of a bubble and a bubble cluster in an ultrasonic field

International Nuclear Information System (INIS)

Wang Cheng-Hui; Cheng Jian-Chun

2013-01-01

Using an appropriate approximation, we have formulated the interacting equation of multi-bubble motion for a system of a single bubble and a spherical bubble cluster. The behavior of the bubbles is observed in coupled and uncoupled states. The oscillation of bubbles inside the cluster is in a coupled state. The numerical simulation demonstrates that the secondary Bjerknes force can be influenced by the number density, initial radius, distance, driving frequency, and amplitude of ultrasound. However, if a bubble approaches a bubble cluster of the same initial radii, coupled oscillation would be induced and a repulsive force is evoked, which may be the reason why the bubble cluster can exist steadily. With the increment of the number density of the bubble cluster, a secondary Bjerknes force acting on the bubbles inside the cluster decreases due to the strong suppression of the coupled bubbles. It is shown that there may be an optimal number density for a bubble cluster which can generate an optimal cavitation effect in liquid for a stable driving ultrasound. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

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

Institute of Scientific and Technical Information of China (English)

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

2007-01-01

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

Factorization method of quadratic template

Science.gov (United States)

Kotyrba, Martin

2017-07-01

Multiplication of two numbers is a one-way function in mathematics. Any attempt to distribute the outcome to its roots is called factorization. There are many methods such as Fermat's factorization, Dixońs method or quadratic sieve and GNFS, which use sophisticated techniques fast factorization. All the above methods use the same basic formula differing only in its use. This article discusses a newly designed factorization method. Effective implementation of this method in programs is not important, it only represents and clearly defines its properties.

Design of variable-weight quadratic congruence code for optical CDMA

Science.gov (United States)

Feng, Gang; Cheng, Wen-Qing; Chen, Fu-Jun

2015-09-01

A variable-weight code family referred to as variable-weight quadratic congruence code (VWQCC) is constructed by algebraic transformation for incoherent synchronous optical code division multiple access (OCDMA) systems. Compared with quadratic congruence code (QCC), VWQCC doubles the code cardinality and provides the multiple code-sets with variable code-weight. Moreover, the bit-error rate (BER) performance of VWQCC is superior to those of conventional variable-weight codes by removing or padding pulses under the same chip power assumption. The experiment results show that VWQCC can be well applied to the OCDMA with quality of service (QoS) requirements.

The threshold bootstrap clustering: a new approach to find families or transmission clusters within molecular quasispecies.

Directory of Open Access Journals (Sweden)

Mattia C F Prosperi

2010-10-01

Full Text Available Phylogenetic methods produce hierarchies of molecular species, inferring knowledge about taxonomy and evolution. However, there is not yet a consensus methodology that provides a crisp partition of taxa, desirable when considering the problem of intra/inter-patient quasispecies classification or infection transmission event identification. We introduce the threshold bootstrap clustering (TBC, a new methodology for partitioning molecular sequences, that does not require a phylogenetic tree estimation.The TBC is an incremental partition algorithm, inspired by the stochastic Chinese restaurant process, and takes advantage of resampling techniques and models of sequence evolution. TBC uses as input a multiple alignment of molecular sequences and its output is a crisp partition of the taxa into an automatically determined number of clusters. By varying initial conditions, the algorithm can produce different partitions. We describe a procedure that selects a prime partition among a set of candidate ones and calculates a measure of cluster reliability. TBC was successfully tested for the identification of type-1 human immunodeficiency and hepatitis C virus subtypes, and compared with previously established methodologies. It was also evaluated in the problem of HIV-1 intra-patient quasispecies clustering, and for transmission cluster identification, using a set of sequences from patients with known transmission event histories.TBC has been shown to be effective for the subtyping of HIV and HCV, and for identifying intra-patient quasispecies. To some extent, the algorithm was able also to infer clusters corresponding to events of infection transmission. The computational complexity of TBC is quadratic in the number of taxa, lower than other established methods; in addition, TBC has been enhanced with a measure of cluster reliability. The TBC can be useful to characterise molecular quasipecies in a broad context.

The threshold bootstrap clustering: a new approach to find families or transmission clusters within molecular quasispecies.

Science.gov (United States)

Prosperi, Mattia C F; De Luca, Andrea; Di Giambenedetto, Simona; Bracciale, Laura; Fabbiani, Massimiliano; Cauda, Roberto; Salemi, Marco

2010-10-25

Phylogenetic methods produce hierarchies of molecular species, inferring knowledge about taxonomy and evolution. However, there is not yet a consensus methodology that provides a crisp partition of taxa, desirable when considering the problem of intra/inter-patient quasispecies classification or infection transmission event identification. We introduce the threshold bootstrap clustering (TBC), a new methodology for partitioning molecular sequences, that does not require a phylogenetic tree estimation. The TBC is an incremental partition algorithm, inspired by the stochastic Chinese restaurant process, and takes advantage of resampling techniques and models of sequence evolution. TBC uses as input a multiple alignment of molecular sequences and its output is a crisp partition of the taxa into an automatically determined number of clusters. By varying initial conditions, the algorithm can produce different partitions. We describe a procedure that selects a prime partition among a set of candidate ones and calculates a measure of cluster reliability. TBC was successfully tested for the identification of type-1 human immunodeficiency and hepatitis C virus subtypes, and compared with previously established methodologies. It was also evaluated in the problem of HIV-1 intra-patient quasispecies clustering, and for transmission cluster identification, using a set of sequences from patients with known transmission event histories. TBC has been shown to be effective for the subtyping of HIV and HCV, and for identifying intra-patient quasispecies. To some extent, the algorithm was able also to infer clusters corresponding to events of infection transmission. The computational complexity of TBC is quadratic in the number of taxa, lower than other established methods; in addition, TBC has been enhanced with a measure of cluster reliability. The TBC can be useful to characterise molecular quasipecies in a broad context.

Finite-Time Stability and Stabilization of Nonlinear Quadratic Systems with Jumps

Directory of Open Access Journals (Sweden)

Minsong Zhang

2014-01-01

Full Text Available This paper investigates the problems of finite-time stability and finite-time stabilization for nonlinear quadratic systems with jumps. The jump time sequences here are assumed to satisfy some given constraints. Based on Lyapunov function and a particular presentation of the quadratic terms, sufficient conditions for finite-time stability and finite-time stabilization are developed to a set containing bilinear matrix inequalities (BLIMs and linear matrix inequalities (LMIs. Numerical examples are given to illustrate the effectiveness of the proposed methodology.

Mixmaster cosmological model in theories of gravity with a quadratic Lagrangian

International Nuclear Information System (INIS)

Barrow, J.D.; Sirousse-Zia, H.

1989-01-01

We use the method of matched asymptotic expansions to examine the behavior of the vacuum Bianchi type-IX mixmaster universe in a gravity theory derived from a purely quadratic gravitational Lagrangian. The chaotic behavior characteristic of the general-relativistic mixmaster model disappears and the asymptotic behavior is of the monotonic, nonchaotic form found in the exactly soluble Bianchi type-I models of the quadratic theory. The asymptotic behavior far from the singularity is also found to be of monotonic nonchaotic type

Geometric Methods in the Algebraic Theory of Quadratic Forms : Summer School

CERN Document Server

2004-01-01

The geometric approach to the algebraic theory of quadratic forms is the study of projective quadrics over arbitrary fields. Function fields of quadrics have been central to the proofs of fundamental results since the renewal of the theory by Pfister in the 1960's. Recently, more refined geometric tools have been brought to bear on this topic, such as Chow groups and motives, and have produced remarkable advances on a number of outstanding problems. Several aspects of these new methods are addressed in this volume, which includes - an introduction to motives of quadrics by Alexander Vishik, with various applications, notably to the splitting patterns of quadratic forms under base field extensions; - papers by Oleg Izhboldin and Nikita Karpenko on Chow groups of quadrics and their stable birational equivalence, with application to the construction of fields which carry anisotropic quadratic forms of dimension 9, but none of higher dimension; - a contribution in French by Bruno Kahn which lays out a general fra...

Classification of the quantum two dimensional superintegrable systems with quadratic integrals and the Stackel transforms

International Nuclear Information System (INIS)

Dakaloyannis, C.

2006-01-01

Full text: (author)The two dimensional quantum superintegrable systems with quadratic integrals of motion on a manifold are classified by using the quadratic associative algebra of the integrals of motion. There are six general fundamental classes of quantum superintegrable systems corresponding to the classical ones. Analytic formulas for the involved integrals are calculated in all the cases. All the known quantum superintegrable systems with quadratic integrals are classified as special cases of these six general classes. The coefficients of the quadratic associative algebra of integrals are calculated and they are compared to the coefficients of the corresponding coefficients of the Poisson quadratic algebra of the classical systems. The quantum coefficients are similar as the classical ones multiplied by a quantum coefficient -n 2 plus a quantum deformation of order n 4 and n 6 . The systems inside the classes are transformed using Stackel transforms in the quantum case as in the classical case and general form is discussed. The idea of the Jacobi Hamiltonian corresponding to the Jacobi metric in the classical case is discussed

Phase space eigenfunctions of multidimensional quadratic Hamiltonians

International Nuclear Information System (INIS)

Dodonov, V.V.; Man'ko, V.I.

1986-01-01

We obtain the explicit expressions for phace space eigenfunctions (PSE),i.e. Weyl's symbols of dyadic operators like vertical stroken> ,vertical strokem>, being the solution of the Schroedinger equation with the Hamiltonian which is a quite arbitrary multidimensional quadratic form of the operators of Cartesian coordinates and conjugated to them momenta with time-dependent coefficients. It is shown that for an arbitrary quadratic Hamiltonian one can always construct the set of completely factorized PSE which are products of N factors, each factor being dependent only on two arguments for nnot=m and on a single argument for n=m. These arguments are nothing but constants of motion of the correspondent classical system. PSE are expressed in terms of the associated Laguerre polynomials in the case of a discrete spectrum and in terms of the Airy functions in the continuous spectrum case. Three examples are considered: a harmonic oscillator with a time-dependent frequency, a charged particle in a nonstationary uniform magnetic field, and a particle in a time-dependent uniform potential field. (orig.)

Quadratic Variation by Markov Chains

DEFF Research Database (Denmark)

Hansen, Peter Reinhard; Horel, Guillaume

We introduce a novel estimator of the quadratic variation that is based on the the- ory of Markov chains. The estimator is motivated by some general results concerning filtering contaminated semimartingales. Specifically, we show that filtering can in prin- ciple remove the effects of market...... microstructure noise in a general framework where little is assumed about the noise. For the practical implementation, we adopt the dis- crete Markov chain model that is well suited for the analysis of financial high-frequency prices. The Markov chain framework facilitates simple expressions and elegant analyti...

Coherent states for quadratic Hamiltonians

International Nuclear Information System (INIS)

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

2011-01-01

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

Optimal control linear quadratic methods

CERN Document Server

Anderson, Brian D O

2007-01-01

This augmented edition of a respected text teaches the reader how to use linear quadratic Gaussian methods effectively for the design of control systems. It explores linear optimal control theory from an engineering viewpoint, with step-by-step explanations that show clearly how to make practical use of the material.The three-part treatment begins with the basic theory of the linear regulator/tracker for time-invariant and time-varying systems. The Hamilton-Jacobi equation is introduced using the Principle of Optimality, and the infinite-time problem is considered. The second part outlines the

Diagonalization of bosonic quadratic Hamiltonians by Bogoliubov transformations

DEFF Research Database (Denmark)

Nam, Phan Thanh; Napiorkowski, Marcin; Solovej, Jan Philip

2016-01-01

We provide general conditions for which bosonic quadratic Hamiltonians on Fock spaces can be diagonalized by Bogoliubov transformations. Our results cover the case when quantum systems have infinite degrees of freedom and the associated one-body kinetic and paring operators are unbounded. Our...

Linear and Quadratic Interpolators Using Truncated-Matrix Multipliers and Squarers

Directory of Open Access Journals (Sweden)

E. George Walters III

2015-11-01

Full Text Available This paper presents a technique for designing linear and quadratic interpolators for function approximation using truncated multipliers and squarers. Initial coefficient values are found using a Chebyshev-series approximation and then adjusted through exhaustive simulation to minimize the maximum absolute error of the interpolator output. This technique is suitable for any function and any precision up to 24 bits (IEEE single precision. Designs for linear and quadratic interpolators that implement the 1/x, 1/ √ x, log2(1+2x, log2(x and 2x functions are presented and analyzed as examples. Results show that a proposed 24-bit interpolator computing 1/x with a design specification of ±1 unit in the last place of the product (ulp error uses 16.4% less area and 15.3% less power than a comparable standard interpolator with the same error specification. Sixteen-bit linear interpolators for other functions are shown to use up to 17.3% less area and 12.1% less power, and 16-bit quadratic interpolators are shown to use up to 25.8% less area and 24.7% less power.

Quadratic mass relations in topological bootstrap theory

International Nuclear Information System (INIS)

Jones, C.E.; Uschersohn, J.

1980-01-01

From the requirement of reality of discontinuities of scattering amplitudes at the spherical level of the topological bootstrap theory, a large number of mass relations for hadrons is derived. Quadratic mass formulas for the symmetry-breaking pattern of both mesons and baryon is obtained and their relation to conventional models of symmetry breaking is briefly discussed

Vacuum solutions of Bianchi cosmologies in quadratic gravity

International Nuclear Information System (INIS)

Deus, Juliano Alves de; Muller, Daniel

2011-01-01

Full text: In this work we solve numerically the vacuum solutions of field equations of Bianchi homogeneous universes in the context of Semiclassical theory. Our interest is to study the quadratic theory of gravity with regard in the cosmological description of our universe in periods of intense fields. Bianchi cosmologies are anisotropic homogeneous cosmological models, but can include the isotropic models as particular cases (Bianchi I, VII and IX include homogeneous and isotropic Friedmann models plane, hyperbolic and spherical, respectively). Homogeneous models are good cosmological representations of our universe. With focus in solutions for intense fields, like the early universe, where isotropy is not necessarily required, the adopted scenario is the vacuum solutions, where the geometry is dominant in determining the gravitation. Still following in this way, the Semiclassical theory, which considers quantum matter fields propagating in classical geometrical background, is addressed to give the field equations. This formalism leads to fourth-order ordinary differential equations, in contrast to second-order equations from General Relativity. The Lagrangian of the theory is quadratic in the Ricci scalar and in the Ricci tensor. The equations system is highly non-linear and can be only numerically solved, except perhaps for few particular cases. We obtained numerical solutions for Bianchi V II A evolving to Minkowski and to de Sitter solutions, and also to singularities. The both first and second solutions were obtained choosing initial conditions near from respective exact vacuum solutions from Einstein theory, which are also exact solutions of the quadratic theory. Other Bianchi types are still under study. (author)

New Integrable Couplings of Generalized Kaup-Newell Hierarchy and Its Hamiltonian Structures

International Nuclear Information System (INIS)

Xia Tiecheng; Zhang Gailian; Fan Engui

2011-01-01

A new isospectral problem is firstly presented, then we derive integrable system of soliton hierarchy. Also we obtain new integrable couplings of the generalized Kaup-Newell soliton equations hierarchy and its Hamiltonian structures by using Tu scheme and the quadratic-form identity. The method can be generalized to other soliton hierarchy. (general)

Non-chaotic behaviour for a class of quadratic jerk equations

International Nuclear Information System (INIS)

Malasoma, J.-M.

2009-01-01

It is shown that a class constituted by 27 different types of non-linear third-order differential equations of the form x - =j(x,x . ,x), where j is a quadratic polynomial with only one or two terms, and for which ∂j(x,y,z)/∂z is not a constant function of time, does not exhibit chaos. The three-dimensional dynamical systems associated to these equations are not necessarily dissipative everywhere nor conservative everywhere in the corresponding phase spaces. Our results include and improve some recent results obtained by Yang and Chen who only considered the case where j was a homogeneous quadratic polynomial with two terms.

Walking solitons in quadratic nonlinear media

OpenAIRE

Torner Sabata, Lluís; Mazilu, D; Mihalache, Dumitru

1996-01-01

We study self-action of light in parametric wave interactions in nonlinear quadratic media. We show the existence of stationary solitons in the presence of Poynting vector beam walk-off or different group velocities between the waves. We discover that the new solitons constitute a two-parameter family, and they exist for different wave intensities and transverse velocities. We discuss the properties of the walking solitons and their experimental implications. Peer Reviewed

Stochastic Linear Quadratic Optimal Control Problems

International Nuclear Information System (INIS)

Chen, S.; Yong, J.

2001-01-01

This paper is concerned with the stochastic linear quadratic optimal control problem (LQ problem, for short) for which the coefficients are allowed to be random and the cost functional is allowed to have a negative weight on the square of the control variable. Some intrinsic relations among the LQ problem, the stochastic maximum principle, and the (linear) forward-backward stochastic differential equations are established. Some results involving Riccati equation are discussed as well

On misclassication probabilities of linear and quadratic classiers ...

African Journals Online (AJOL)

We study the theoretical misclassication probability of linear and quadratic classiers and examine the performance of these classiers under distributional variations in theory and using simulation. We derive expression for Bayes errors for some competing distributions from the same family under location shift. Keywords: ...

Global Clustering Quality Coefficient Assessing the Efficiency of PCA Class Assignment

Directory of Open Access Journals (Sweden)

Mirela Praisler

2014-01-01

Full Text Available An essential factor influencing the efficiency of the predictive models built with principal component analysis (PCA is the quality of the data clustering revealed by the score plots. The sensitivity and selectivity of the class assignment are strongly influenced by the relative position of the clusters and by their dispersion. We are proposing a set of indicators inspired from analytical geometry that may be used for an objective quantitative assessment of the data clustering quality as well as a global clustering quality coefficient (GCQC that is a measure of the overall predictive power of the PCA models. The use of these indicators for evaluating the efficiency of the PCA class assignment is illustrated by a comparative study performed for the identification of the preprocessing function that is generating the most efficient PCA system screening for amphetamines based on their GC-FTIR spectra. The GCQC ranking of the tested feature weights is explained based on estimated density distributions and validated by using quadratic discriminant analysis (QDA.

Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

Energy Technology Data Exchange (ETDEWEB)

Verma, Prakash; Morales, Jorge A., E-mail: jorge.morales@ttu.edu [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Perera, Ajith [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Department of Chemistry, Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

2013-11-07

Coupled cluster (CC) methods provide highly accurate predictions of molecular properties, but their high computational cost has precluded their routine application to large systems. Fortunately, recent computational developments in the ACES III program by the Bartlett group [the OED/ERD atomic integral package, the super instruction processor, and the super instruction architecture language] permit overcoming that limitation by providing a framework for massively parallel CC implementations. In that scheme, we are further extending those parallel CC efforts to systematically predict the three main electron spin resonance (ESR) tensors (A-, g-, and D-tensors) to be reported in a series of papers. In this paper inaugurating that series, we report our new ACES III parallel capabilities that calculate isotropic hyperfine coupling constants in 38 neutral, cationic, and anionic radicals that include the {sup 11}B, {sup 17}O, {sup 9}Be, {sup 19}F, {sup 1}H, {sup 13}C, {sup 35}Cl, {sup 33}S,{sup 14}N, {sup 31}P, and {sup 67}Zn nuclei. Present parallel calculations are conducted at the Hartree-Fock (HF), second-order many-body perturbation theory [MBPT(2)], CC singles and doubles (CCSD), and CCSD with perturbative triples [CCSD(T)] levels using Roos augmented double- and triple-zeta atomic natural orbitals basis sets. HF results consistently overestimate isotropic hyperfine coupling constants. However, inclusion of electron correlation effects in the simplest way via MBPT(2) provides significant improvements in the predictions, but not without occasional failures. In contrast, CCSD results are consistently in very good agreement with experimental results. Inclusion of perturbative triples to CCSD via CCSD(T) leads to small improvements in the predictions, which might not compensate for the extra computational effort at a non-iterative N{sup 7}-scaling in CCSD(T). The importance of these accurate computations of isotropic hyperfine coupling constants to elucidate

Performance of the coupled thermalhydraulics/neutron kinetics code R/P/C on workstation clusters and multiprocessor systems

International Nuclear Information System (INIS)

Hammer, C.; Paffrath, M.; Boeer, R.; Finnemann, H.; Jackson, C.J.

1996-01-01

The light water reactor core simulation code PANBOX has been coupled with the transient analysis code RELAP5 for the purpose of performing plant safety analyses with a three-dimensional (3-D) neutron kinetics model. The system has been parallelized to improve the computational efficiency. The paper describes the features of this system with emphasis on performance aspects. Performance results are given for different types of parallelization, i. e. for using an automatic parallelizing compiler, using the portable PVM platform on a workstation cluster, using PVM on a shared memory multiprocessor, and for using machine dependent interfaces. (author)

A Comparative Analysis of Quadratics Unit in Singaporean, Turkish and IBDP Mathematics Textbooks

Directory of Open Access Journals (Sweden)

Reyhan Sağlam

2012-12-01

Full Text Available The purpose of this study was to analyze and compare the contents of the chapters on quadratics in three mathematics textbooks selected from Turkey, Singapore, and the International Baccalaureate Diploma Program (IBDP through content analysis. The analysis of mathematical content showed that the three textbooks have different approaches and priorities in terms of the positions of chapters and weights of the quadratics units, and the time allocated to them within the respective curricular programs. It was also found that the Turkish textbook covers a greater number of learning outcomes targeted for quadratics among the three mathematics syllabi, showing a detailed treatment of the topic compared to the other two textbooks.Key Words: Content analysis, international comparative studies, mathematics textbooks

Effects of cluster-shell competition and BCS-like pairing in 12C

Science.gov (United States)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

Simulation of the photodetachment spectrum of HHfO- using coupled-cluster calculations

Science.gov (United States)

Mok, Daniel K. W.; Dyke, John M.; Lee, Edmond P. F.

2016-12-01

The photodetachment spectrum of HHfO- was simulated using restricted-spin coupled-cluster single-double plus perturbative triple {RCCSD(T)} calculations performed on the ground electronic states of HHfO and HHfO-, employing basis sets of up to quintuple-zeta quality. The computed RCCSD(T) electron affinity of 1.67 ± 0.02 eV at the complete basis set limit, including Hf 5s25p6 core correlation and zero-point energy corrections, agrees well with the experimental value of 1.70 ± 0.05 eV from a recent photodetachment study [X. Li et al., J. Chem. Phys. 136, 154306 (2012)]. For the simulation, Franck-Condon factors were computed which included allowances for anharmonicity and Duschinsky rotation. Comparisons between simulated and experimental spectra confirm the assignments of the molecular carrier and electronic states involved but suggest that the experimental vibrational structure has suffered from poor signal-to-noise ratio. An alternative assignment of the vibrational structure to that suggested in the experimental work is presented.

Effect of clustering on attack vulnerability of interdependent scale-free networks

International Nuclear Information System (INIS)

Li, Rui-qi; Sun, Shi-wen; Ma, Yi-lin; Wang, Li; Xia, Cheng-yi

2015-01-01

In order to deeply understand the complex interdependent systems, it is of great concern to take clustering coefficient, which is an important feature of many real-world systems, into account. Previous study mainly focused on the impact of clustering on interdependent networks under random attacks, while we extend the study to the case of the more realistic attacking strategy, targeted attack. A system composed of two interdependent scale-free networks with tunable clustering is provided. The effects of coupling strength and coupling preference on attack vulnerability are explored. Numerical simulation results demonstrate that interdependent links between two networks make the entire system much more fragile to attacks. Also, it is found that clustering significantly increases the vulnerability of interdependent scale-free networks. Moreover, for fully coupled network, disassortative coupling is found to be most vulnerable to random attacks, while the random and assortative coupling have little difference. Additionally, enhancing coupling strength can greatly enhance the fragility of interdependent networks against targeted attacks. These results can not only improve the deep understanding of structural complexity of complex systems, but also provide insights into the guidance of designing resilient infrastructures.

Newton's method for solving a quadratic matrix equation with special coefficient matrices

International Nuclear Information System (INIS)

Seo, Sang-Hyup; Seo, Jong Hyun; Kim, Hyun-Min

2014-01-01

We consider the iterative method for solving a quadratic matrix equation with special coefficient matrices which arises in the quasi-birth-death problem. In this paper, we show that the elementwise minimal positive solvents to quadratic matrix equations can be obtained using Newton's method. We also prove that the convergence rate of the Newton iteration is quadratic if the Fréchet derivative at the elementwise minimal positive solvent is nonsingular. However, if the Fréchet derivative is singular, the convergence rate is at least linear. Numerical experiments of the convergence rate are given.(This is summarized a paper which is to appear in Honam Mathematical Journal.)

Decentralized linear quadratic power system stabilizers for multi ...

Indian Academy of Sciences (India)

Linear quadratic stabilizers are well-known for their superior control capabilities when compared to the conventional lead–lag power system stabilizers. However, they have not seen much of practical importance as the state variables are generally not measurable; especially the generator rotor angle measurement is not ...

On Fredholm-Stieltjes quadratic integral equation with supremum

International Nuclear Information System (INIS)

Darwish, M.A.

2007-08-01

We prove an existence theorem of monotonic solutions for a quadratic integral equation of Fredholm-Stieltjes type in C[0,1]. The concept of measure of non-compactness and a fixed point theorem due to Darbo are the main tools in carrying out our proof. (author)

ESPRIT-Forest: Parallel clustering of massive amplicon sequence data in subquadratic time.

Science.gov (United States)

Cai, Yunpeng; Zheng, Wei; Yao, Jin; Yang, Yujie; Mai, Volker; Mao, Qi; Sun, Yijun

2017-04-01

The rapid development of sequencing technology has led to an explosive accumulation of genomic sequence data. Clustering is often the first step to perform in sequence analysis, and hierarchical clustering is one of the most commonly used approaches for this purpose. However, it is currently computationally expensive to perform hierarchical clustering of extremely large sequence datasets due to its quadratic time and space complexities. In this paper we developed a new algorithm called ESPRIT-Forest for parallel hierarchical clustering of sequences. The algorithm achieves subquadratic time and space complexity and maintains a high clustering accuracy comparable to the standard method. The basic idea is to organize sequences into a pseudo-metric based partitioning tree for sub-linear time searching of nearest neighbors, and then use a new multiple-pair merging criterion to construct clusters in parallel using multiple threads. The new algorithm was tested on the human microbiome project (HMP) dataset, currently one of the largest published microbial 16S rRNA sequence dataset. Our experiment demonstrated that with the power of parallel computing it is now compu- tationally feasible to perform hierarchical clustering analysis of tens of millions of sequences. The software is available at http://www.acsu.buffalo.edu/∼yijunsun/lab/ESPRIT-Forest.html.

Quadratic Hierarchy Flavor Rule as the Origin of Dirac CP-Violating Phases

OpenAIRE

Lipmanov, E. M.

2007-01-01

The premise of an organizing quadratic hierarchy rule in lepton-quark flavor physics was used earlier for explanation of the hierarchy patterns of four generic pairs of flavor quantities 1) charged-lepton and 2) neutrino deviations from mass-degeneracy, 3) deviations of lepton mixing from maximal magnitude and 4) deviations of quark mixing from minimal one. Here it is shown that the quadratic hierarchy equation that is uniquely related to three flavor particle generations may have yet another...

On the Equivalence of Quadratic Optimization Problems Commonly Used in Portfolio Theory

OpenAIRE

Taras Bodnar; Nestor Parolya; Wolfgang Schmid

2012-01-01

In the paper, we consider three quadratic optimization problems which are frequently applied in portfolio theory, i.e, the Markowitz mean-variance problem as well as the problems based on the mean-variance utility function and the quadratic utility.Conditions are derived under which the solutions of these three optimization procedures coincide and are lying on the efficient frontier, the set of mean-variance optimal portfolios. It is shown that the solutions of the Markowitz optimization prob...

Objective Classification of Rainfall in Northern Europe for Online Operation of Urban Water Systems Based on Clustering Techniques

DEFF Research Database (Denmark)

Löwe, Roland; Madsen, Henrik; McSharry, Patrick

2016-01-01

operators to change modes of control of their facilities. A k-means clustering technique was applied to group events retrospectively and was able to distinguish events with clearly different temporal and spatial correlation properties. For online applications, techniques based on k-means clustering...... and quadratic discriminant analysis both provided a fast and reliable identification of rain events of "high" variability, while the k-means provided the smallest number of rain events falsely identified as being of "high" variability (false hits). A simple classification method based on a threshold...

Unified dark energy and dust dark matter dual to quadratic purely kinetic K-essence

International Nuclear Information System (INIS)

Guendelman, Eduardo; Nissimov, Emil; Pacheva, Svetlana

2016-01-01

We consider a modified gravity plus single scalar-field model, where the scalar Lagrangian couples symmetrically both to the standard Riemannian volume-form (spacetime integration measure density) given by the square root of the determinant of the Riemannian metric, as well as to another non-Riemannian volume-form in terms of an auxiliary maximal-rank antisymmetric tensor gauge field. As shown in a previous paper, the pertinent scalar-field dynamics provides an exact unified description of both dark energy via dynamical generation of a cosmological constant, and dark matter as a ''dust'' fluid with geodesic flow as a result of a hidden Noether symmetry. Here we extend the discussion by considering a non-trivial modification of the purely gravitational action in the form of f(R) = R -αR 2 generalized gravity. Upon deriving the corresponding ''Einstein-frame'' effective action of the latter modified gravity-scalar-field theory we find explicit duality (in the sense of weak versus strong coupling) between the original model of unified dynamical dark energy and dust fluid dark matter, on one hand, and a specific quadratic purely kinetic ''k-essence'' gravity-matter model with special dependence of its coupling constants on only two independent parameters, on the other hand. The canonical Hamiltonian treatment and Wheeler-DeWitt quantization of the dual purely kinetic ''k-essence'' gravity-matter model is also briefly discussed. (orig.)

On bent and semi-bent quadratic Boolean functions

DEFF Research Database (Denmark)

Charpin, P.; Pasalic, Enes; Tavernier, C.

2005-01-01

correlation and high nonlinearity. We say that such a sequence is generated by a semi-bent function. Some new families of such function, represented by f(x) = Sigma(i=1)(n-1/2) c(i)Tr(x(2t+1)), n odd and c(i) is an element of F-2, have recently (2002) been introduced by Khoo et al. We first generalize......The maximum-length sequences, also called m-sequences, have received a lot of attention since the late 1960s. In terms of linear-feedback shift register (LFSR) synthesis they are usually generated by certain power polynomials over a finite field and in addition are characterized by a low cross...... their results to even n. We further investigate the conditions on the choice of ci for explicit definitions of new infinite families having three and four trace terms. Also, a class of nonpermutation polynomials whose composition with a quadratic function yields again a quadratic semi-bent function is specified...

Emotion suppression moderates the quadratic association between RSA and executive function.

Science.gov (United States)

Spangler, Derek P; Bell, Martha Ann; Deater-Deckard, Kirby

2015-09-01

There is uncertainty about whether respiratory sinus arrhythmia (RSA), a cardiac marker of adaptive emotion regulation, is involved in relatively low or high executive function performance. In the present study, we investigated (a) whether RSA during rest and tasks predict both relatively low and high executive function within a larger quadratic association among the two variables, and (b) the extent to which this quadratic trend was moderated by individual differences in emotion regulation. To achieve these aims, a sample of ethnically and socioeconomically diverse women self-reported reappraisal and emotion suppression. They next experienced a 2-min resting period during which electrocardiogram (ECG) was continually assessed. In the next phase, the women completed an array of executive function and nonexecutive cognitive tasks while ECG was measured throughout. As anticipated, resting RSA showed a quadratic association with executive function that was strongest for high suppression. These results suggest that relatively high resting RSA may predict poor executive function ability when emotion regulation consumes executive control resources needed for ongoing cognitive performance. © 2015 Society for Psychophysiological Research.

Parallel implementation of multireference coupled-cluster theories based on the reference-level parallelism

Energy Technology Data Exchange (ETDEWEB)

Brabec, Jiri; Pittner, Jiri; van Dam, Hubertus JJ; Apra, Edoardo; Kowalski, Karol

2012-02-01

A novel algorithm for implementing general type of multireference coupled-cluster (MRCC) theory based on the Jeziorski-Monkhorst exponential Ansatz [B. Jeziorski, H.J. Monkhorst, Phys. Rev. A 24, 1668 (1981)] is introduced. The proposed algorithm utilizes processor groups to calculate the equations for the MRCC amplitudes. In the basic formulation each processor group constructs the equations related to a specific subset of references. By flexible choice of processor groups and subset of reference-specific sufficiency conditions designated to a given group one can assure optimum utilization of available computing resources. The performance of this algorithm is illustrated on the examples of the Brillouin-Wigner and Mukherjee MRCC methods with singles and doubles (BW-MRCCSD and Mk-MRCCSD). A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel implementation of the BW-MRCCSD formalism [J.Brabec, H.J.J. van Dam, K. Kowalski, J. Pittner, Chem. Phys. Lett. 514, 347 (2011)].

General quadratic gauge theory: constraint structure, symmetries and physical functions

Energy Technology Data Exchange (ETDEWEB)

Gitman, D M [Institute of Physics, University of Sao Paulo (Brazil); Tyutin, I V [Lebedev Physics Institute, Moscow (Russian Federation)

2005-06-17

How can we relate the constraint structure and constraint dynamics of the general gauge theory in the Hamiltonian formulation to specific features of the theory in the Lagrangian formulation, especially relate the constraint structure to the gauge transformation structure of the Lagrangian action? How can we construct the general expression for the gauge charge if the constraint structure in the Hamiltonian formulation is known? Whether we can identify the physical functions defined as commuting with first-class constraints in the Hamiltonian formulation and the physical functions defined as gauge invariant functions in the Lagrangian formulation? The aim of the present paper is to consider the general quadratic gauge theory and to answer the above questions for such a theory in terms of strict assertions. To fulfil such a programme, we demonstrate the existence of the so-called superspecial phase-space variables in terms of which the quadratic Hamiltonian action takes a simple canonical form. On the basis of such a representation, we analyse a functional arbitrariness in the solutions of the equations of motion of the quadratic gauge theory and derive the general structure of symmetries by analysing a symmetry equation. We then use these results to identify the two definitions of physical functions and thus prove the Dirac conjecture.

Exact solutions for oscillators with quadratic damping and mixed-parity nonlinearity

International Nuclear Information System (INIS)

Lai, S K; Chow, K W

2012-01-01

Exact vibration modes of a nonlinear oscillator, which contains both quadratic friction and a mixed-parity restoring force, are derived analytically. Two families of exact solutions are obtained in terms of rational expressions for classical Jacobi elliptic functions. The present solutions allow the investigation of the dynamical behaviour of the system in response to changes in physical parameters that concern nonlinearity. The physical significance of the signs (i.e. attractive or repulsive nature) of the linear, quadratic and cubic restoring forces is discussed. A qualitative analysis is also conducted to provide valuable physical insight into the nature of the system. (paper)

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

Energy Technology Data Exchange (ETDEWEB)

Szederkenyi, Gabor; Hangos, Katalin M

2004-04-26

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities.

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

Science.gov (United States)

Szederkényi, Gábor; Hangos, Katalin M.

2004-04-01

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities.

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

International Nuclear Information System (INIS)

Szederkenyi, Gabor; Hangos, Katalin M.

2004-01-01

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities

An Alternating Direction Method for Convex Quadratic Second-Order Cone Programming with Bounded Constraints

Directory of Open Access Journals (Sweden)

Xuewen Mu

2015-01-01

quadratic programming over second-order cones and a bounded set. At each iteration, we only need to compute the metric projection onto the second-order cones and the projection onto the bound set. The result of convergence is given. Numerical results demonstrate that our method is efficient for the convex quadratic second-order cone programming problems with bounded constraints.

State-specific Brillouin-Wigner Multireference Coupled Cluster Study of the F.sub.2./sub. Molecule: Assessment of the a Posteriori Size-extensivity Correction

Czech Academy of Sciences Publication Activity Database

Pittner, Jiří; Šmydke, Jan; Čársky, Petr; Hubač, I.

2001-01-01

Roč. 547, - (2001), s. 239-244 ISSN 0166-1280 R&D Projects: GA MŠk OC D9.10; GA ČR GA203/99/D009 Institutional research plan: CEZ:AV0Z4040901 Keywords : potential curve * spectroscopic constants of F2 * multireference coupled clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.919, year: 2001

Pareto optimality in infinite horizon linear quadratic differential games

NARCIS (Netherlands)

Reddy, P.V.; Engwerda, J.C.

2013-01-01

In this article we derive conditions for the existence of Pareto optimal solutions for linear quadratic infinite horizon cooperative differential games. First, we present a necessary and sufficient characterization for Pareto optimality which translates to solving a set of constrained optimal

A Unified Approach to Teaching Quadratic and Cubic Equations.

Science.gov (United States)

Ward, A. J. B.

2003-01-01

Presents a simple method for teaching the algebraic solution of cubic equations via completion of the cube. Shows that this method is readily accepted by students already familiar with completion of the square as a method for quadratic equations. (Author/KHR)

ON WEIGHTED GENERALIZED FUNCTIONS ASSOCIATED WITH QUADRATIC FORMS

Directory of Open Access Journals (Sweden)

E. L. Shishkina

2016-12-01

Full Text Available In this article we consider certain types of weighted generalized functions associated with nondegenerate quadratic forms. Such functions and their derivatives are used for constructing fundamental solutions of iterated ultra-hyperbolic equations with the Bessel operator and for constructing negative real powers of ultra-hyperbolic operators with the Bessel operator.

Fast parallel DNA-based algorithms for molecular computation: quadratic congruence and factoring integers.

Science.gov (United States)

Chang, Weng-Long

2012-03-01

Assume that n is a positive integer. If there is an integer such that M (2) ≡ C (mod n), i.e., the congruence has a solution, then C is said to be a quadratic congruence (mod n). If the congruence does not have a solution, then C is said to be a quadratic noncongruence (mod n). The task of solving the problem is central to many important applications, the most obvious being cryptography. In this article, we describe a DNA-based algorithm for solving quadratic congruence and factoring integers. In additional to this novel contribution, we also show the utility of our encoding scheme, and of the algorithm's submodules. We demonstrate how a variety of arithmetic, shifted and comparative operations, namely bitwise and full addition, subtraction, left shifter and comparison perhaps are performed using strands of DNA.

Convergence of the Light-Front Coupled-Cluster Method in Scalar Yukawa Theory

Science.gov (United States)

Usselman, Austin

We use Fock-state expansions and the Light-Front Coupled-Cluster (LFCC) method to study mass eigenvalue problems in quantum field theory. Specifically, we study convergence of the method in scalar Yukawa theory. In this theory, a single charged particle is surrounded by a cloud of neutral particles. The charged particle can create or annihilate neutral particles, causing the n-particle state to depend on the n + 1 and n - 1-particle state. Fock state expansion leads to an infinite set of coupled equations where truncation is required. The wave functions for the particle states are expanded in a basis of symmetric polynomials and a generalized eigenvalue problem is solved for the mass eigenvalue. The mass eigenvalue problem is solved for multiple values for the coupling strength while the number of particle states and polynomial basis order are increased. Convergence of the mass eigenvalue solutions is then obtained. Three mass ratios between the charged particle and neutral particles were studied. This includes a massive charged particle, equal masses and massive neutral particles. Relative probability between states can also be explored for more detailed understanding of the process of convergence with respect to the number of Fock sectors. The reliance on higher order particle states depended on how large the mass of the charge particle was. The higher the mass of the charged particle, the more the system depended on higher order particle states. The LFCC method solves this same mass eigenvalue problem using an exponential operator. This exponential operator can then be truncated instead to form a finite system of equations that can be solved using a built in system solver provided in most computational environments, such as MatLab and Mathematica. First approximation in the LFCC method allows for only one particle to be created by the new operator and proved to be not powerful enough to match the Fock state expansion. The second order approximation allowed one

Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers

International Nuclear Information System (INIS)

Malrieu, Jean-Paul

2012-01-01

Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.

Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers

Science.gov (United States)

Malrieu, Jean-Paul

2012-06-01

Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.

Quadratic Lagrangians and Legendre transformation

International Nuclear Information System (INIS)

Magnano, G.

1988-01-01

In recent years interest is grown about the so-called non-linear Lagrangians for gravitation. In particular, the quadratic lagrangians are currently believed to play a fundamental role both for quantum gravity and for the super-gravity approach. The higher order and high degree of non-linearity of these theories make very difficult to extract physical information out of them. The author discusses how the Legendre transformation can be applied to a wide class of non-linear theories: it corresponds to a conformal transformation whenever the Lagrangian depends only on the scalar curvature, while it has a more general form if the Lagrangian depends on the full Ricci tensor

On Newton-Raphson formulation and algorithm for displacement based structural dynamics problem with quadratic damping nonlinearity

Directory of Open Access Journals (Sweden)

Koh Kim Jie

2017-01-01

Full Text Available Quadratic damping nonlinearity is challenging for displacement based structural dynamics problem as the problem is nonlinear in time derivative of the primitive variable. For such nonlinearity, the formulation of tangent stiffness matrix is not lucid in the literature. Consequently, ambiguity related to kinematics update arises when implementing the time integration-iterative algorithm. In present work, an Euler-Bernoulli beam vibration problem with quadratic damping nonlinearity is addressed as the main source of quadratic damping nonlinearity arises from drag force estimation, which is generally valid only for slender structures. Employing Newton-Raphson formulation, tangent stiffness components associated with quadratic damping nonlinearity requires velocity input for evaluation purpose. For this reason, two mathematically equivalent algorithm structures with different kinematics arrangement are tested. Both algorithm structures result in the same accuracy and convergence characteristic of solution.

Emergent organization of oscillator clusters in coupled self ...

Indian Academy of Sciences (India)

dynamics, whereby at fixed intervals of time the nonlinearity parameter at each site ... The function g is the feedback adjustment function introduced in ref. ..... cluster of size c − 1) and the probability distribution of P(c), it also has power law.

Quadratic Poisson brackets compatible with an algebra structure

OpenAIRE

Balinsky, A. A.; Burman, Yu.

1994-01-01

Quadratic Poisson brackets on a vector space equipped with a bilinear multiplication are studied. A notion of a bracket compatible with the multiplication is introduced and an effective criterion of such compatibility is given. Among compatible brackets, a subclass of coboundary brackets is described, and such brackets are enumerated in a number of examples.

Classification of ξ(s)-Quadratic Stochastic Operators on 2D simplex

International Nuclear Information System (INIS)

Mukhamedov, Farrukh; Saburov, Mansoor; Qaralleh, Izzat

2013-01-01

A quadratic stochastic operator (in short QSO) is usually used to present the time evolution of differing species in biology. Some QSO has been studied by Lotka and Volterra. The general problem in the nonlinear operator theory is to study the behavior of operators. This problem was not fully finished even for the quadratic stochastic operators. To study this problem it was investigated several classes of such QSO. In this paper we study ξ (s) -QSO class of operators. We study such kind of operators on 2D simplex. We first classify these ξ (s) -QSO into 20 classes. Further, we investigate the dynamics of one class of such operators.

Relativistic quantum vorticity of the quadratic form of the Dirac equation

International Nuclear Information System (INIS)

Asenjo, Felipe A; Mahajan, Swadesh M

2015-01-01

We explore the fluid version of the quadratic form of the Dirac equation, sometimes called the Feynman–Gell-Mann equation. The dynamics of the quantum spinor field is represented by equations of motion for the fluid density, the velocity field, and the spin field. In analogy with classical relativistic and non-relativistic quantum theories, the fully relativistic fluid formulation of this equation allows a vortex dynamics. The vortical form is described by a total tensor field that is the weighted combination of the inertial, electromagnetic and quantum forces. The dynamics contrives the quadratic form of the Dirac equation as a total vorticity free system. (paper)

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

International Nuclear Information System (INIS)

Riplinger, Christoph; Pinski, Peter; Becker, Ute; Neese, Frank; Valeev, Edward F.

2016-01-01

Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate

X-ray and optical substructures of the DAFT/FADA survey clusters

Science.gov (United States)

Guennou, L.; Durret, F.; Adami, C.; Lima Neto, G. B.

2013-04-01

We have undertaken the DAFT/FADA survey with the double aim of setting constraints on dark energy based on weak lensing tomography and of obtaining homogeneous and high quality data for a sample of 91 massive clusters in the redshift range 0.4-0.9 for which there were HST archive data. We have analysed the XMM-Newton data available for 42 of these clusters to derive their X-ray temperatures and luminosities and search for substructures. Out of these, a spatial analysis was possible for 30 clusters, but only 23 had deep enough X-ray data for a really robust analysis. This study was coupled with a dynamical analysis for the 26 clusters having at least 30 spectroscopic galaxy redshifts in the cluster range. Altogether, the X-ray sample of 23 clusters and the optical sample of 26 clusters have 14 clusters in common. We present preliminary results on the coupled X-ray and dynamical analyses of these 14 clusters.

Inference for the jump part of quadratic variation of Itô semimartingales

DEFF Research Database (Denmark)

Veraart, Almut

Recent research has focused on modelling asset prices by Itô semimartingales. In such a modelling framework, the quadratic variation consists of a continuous and a jump component. This paper is about inference on the jump part of the quadratic variation, which can be estimated by the difference...... of realised variance and realised multipower variation. The main contribution of this paper is twofold. First, it provides a bivariate asymptotic limit theory for realised variance and realised multipower variation in the presence of jumps. Second, this paper presents new, consistent estimators for the jump...

Inference for the jump part of quadratic variation of Itô semimartingales

DEFF Research Database (Denmark)

Veraart, Almut

2010-01-01

Recent research has focused on modeling asset prices by Itô semimartingales. In such a modeling framework, the quadratic variation consists of a continuous and a jump component. This paper is about inference on the jump part of the quadratic variation, which can be estimated by the difference...... of realized variance and realized multipower variation. The main contribution of this paper is twofold. First, it provides a bivariate asymptotic limit theory for realized variance and realized multipower variation in the presence of jumps. Second, this paper presents new, consistent estimators for the jump...

Newton equation for canonical, Lie-algebraic, and quadratic deformation of classical space

International Nuclear Information System (INIS)

Daszkiewicz, Marcin; Walczyk, Cezary J.

2008-01-01

The Newton equation describing particle motion in a constant external field force on canonical, Lie-algebraic, and quadratic space-time is investigated. We show that for canonical deformation of space-time the dynamical effects are absent, while in the case of Lie-algebraic noncommutativity, when spatial coordinates commute to the time variable, the additional acceleration of the particle is generated. We also indicate that in the case of spatial coordinates commuting in a Lie-algebraic way, as well as for quadratic deformation, there appear additional velocity and position-dependent forces

Simulation of resonance hyper-Rayleigh scattering of molecules and metal clusters using a time-dependent density functional theory approach.

Science.gov (United States)

Hu, Zhongwei; Autschbach, Jochen; Jensen, Lasse

2014-09-28

Resonance hyper-Rayleigh scattering (HRS) of molecules and metal clusters have been simulated based on a time-dependent density functional theory approach. The resonance first-order hyperpolarizability (β) is obtained by implementing damped quadratic response theory using the (2n + 1) rule. To test this implementation, the prototypical dipolar molecule para-nitroaniline (p-NA) and the octupolar molecule crystal violet are used as benchmark systems. Moreover, small silver clusters Ag 8 and Ag 20 are tested with a focus on determining the two-photon resonant enhancement arising from the strong metal transition. Our results show that, on a per atom basis, the small silver clusters possess two-photon enhanced HRS comparable to that of larger nanoparticles. This finding indicates the potential interest of using small metal clusters for designing new nonlinear optical materials.

Electron correlation in the interacting quantum atoms partition via coupled-cluster lagrangian densities.

Science.gov (United States)

Holguín-Gallego, Fernando José; Chávez-Calvillo, Rodrigo; García-Revilla, Marco; Francisco, Evelio; Pendás, Ángel Martín; Rocha-Rinza, Tomás

2016-07-15

The electronic energy partition established by the Interacting Quantum Atoms (IQA) approach is an important method of wavefunction analyses which has yielded valuable insights about different phenomena in physical chemistry. Most of the IQA applications have relied upon approximations, which do not include either dynamical correlation (DC) such as Hartree-Fock (HF) or external DC like CASSCF theory. Recently, DC was included in the IQA method by means of HF/Coupled-Cluster (CC) transition densities (Chávez-Calvillo et al., Comput. Theory Chem. 2015, 1053, 90). Despite the potential utility of this approach, it has a few drawbacks, for example, it is not consistent with the calculation of CC properties different from the total electronic energy. To improve this situation, we have implemented the IQA energy partition based on CC Lagrangian one- and two-electron orbital density matrices. The development presented in this article is tested and illustrated with the H2 , LiH, H2 O, H2 S, N2 , and CO molecules for which the IQA results obtained under the consideration of (i) the CC Lagrangian, (ii) HF/CC transition densities, and (iii) HF are critically analyzed and compared. Additionally, the effect of the DC in the different components of the electronic energy in the formation of the T-shaped (H2 )2 van der Waals cluster and the bimolecular nucleophilic substitution between F(-) and CH3 F is examined. We anticipate that the approach put forward in this article will provide new understandings on subjects in physical chemistry wherein DC plays a crucial role like molecular interactions along with chemical bonding and reactivity. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Properties of an ionised-cluster beam from a vaporised-cluster ion source

International Nuclear Information System (INIS)

Takagi, T.; Yamada, I.; Sasaki, A.

1978-01-01

A new type of ion source vaporised-metal cluster ion source, has been developed for deposition and epitaxy. A cluster consisting of 10 2 to 10 3 atoms coupled loosely together is formed by adiabatic expansion ejecting the vapour of materials into a high-vacuum region through the nozzle of a heated crucible. The clusters are ionised by electron bombardment and accelerated with neutral clusters toward a substrate. In this paper, mechanisms of cluster formation experimental results of the cluster size (atoms/cluster) and its distribution, and characteristics of the cluster ion beams are reported. The size is calculated from the kinetic equation E = (1/2)mNVsub(ej) 2 , where E is the cluster beam energy, Vsub(ej) is the ejection velocity, m is the mass of atom and N is the cluster size. The energy and the velocity of the cluster are measured by an electrostatic 127 0 energy analyser and a rotating disc system, respectively. The cluster size obtained for Ag is about 5 x 10 2 to 2 x 10 3 atoms. The retarding potential method is used to confirm the results for Ag. The same dependence on cluster size for metals such as Ag, Cu and Pb has been obtained in previous experiments. In the cluster state the cluster ion beam is easily produced by electron bombardment. About 50% of ionised clusters are obtained under typical operation conditions, because of the large ionisation cross sections of the clusters. To obtain a uniform spatial distribution, the ionising electrode system is also discussed. The new techniques are termed ionised-cluster beam deposition (ICBD) and epitaxy (ICBE). (author)

Special cases of the quadratic shortest path problem

NARCIS (Netherlands)

Sotirov, Renata; Hu, Hao

2017-01-01

The quadratic shortest path problem (QSPP) is the problem of finding a path with prespecified start vertex s and end vertex t in a digraph such that the sum of weights of arcs and the sum of interaction costs over all pairs of arcs on the path is minimized. We first consider a variant of the QSPP

Two pairs of Lie algebras and the integrable couplings as well as the Hamiltonian structure of the Yang hierarchy

International Nuclear Information System (INIS)

Zhang Yufeng; Guo Fukui

2007-01-01

Two types of Lie algebras, which are the subalgebras of the Lie algebra A 2 , A 3 respectively, are presented. The resulting loop algebras are following. As their applications, two different integrable couplings of the Yang hierarchy are obtained, called them the double integrable couplings. The Hamiltonian structure of one of them is worked out by a proper linear isomorphic transformation and the quadratic-form identity

Least Squares Problems with Absolute Quadratic Constraints

Directory of Open Access Journals (Sweden)

R. Schöne

2012-01-01

Full Text Available This paper analyzes linear least squares problems with absolute quadratic constraints. We develop a generalized theory following Bookstein's conic-fitting and Fitzgibbon's direct ellipse-specific fitting. Under simple preconditions, it can be shown that a minimum always exists and can be determined by a generalized eigenvalue problem. This problem is numerically reduced to an eigenvalue problem by multiplications of Givens' rotations. Finally, four applications of this approach are presented.

On two-primary algebraic K-theory of quadratic number rings with focus on K_2

NARCIS (Netherlands)

Crainic, M.; Østvær, Paul Arne

1999-01-01

We give explicit formulas for the 2-rank of the algebraic K-groups of quadratic number rings. A 4-rank formula for K2 of quadratic number rings given in [1] provides further information about the actual group structure. The K2 claculations are based on 2- and 4-rank formulas for Picard groups of

Effect of P T symmetry on nonlinear waves for three-wave interaction models in the quadratic nonlinear media

Science.gov (United States)

Shen, Yujia; Wen, Zichao; Yan, Zhenya; Hang, Chao

2018-04-01

We study the three-wave interaction that couples an electromagnetic pump wave to two frequency down-converted daughter waves in a quadratic optical crystal and P T -symmetric potentials. P T symmetric potentials are shown to modulate stably nonlinear modes in two kinds of three-wave interaction models. The first one is a spatially extended three-wave interaction system with odd gain-and-loss distribution in the channel. Modulated by the P T -symmetric single-well or multi-well Scarf-II potentials, the system is numerically shown to possess stable soliton solutions. Via adiabatical change of system parameters, numerical simulations for the excitation and evolution of nonlinear modes are also performed. The second one is a combination of P T -symmetric models which are coupled via three-wave interactions. Families of nonlinear modes are found with some particular choices of parameters. Stable and unstable nonlinear modes are shown in distinct families by means of numerical simulations. These results will be useful to further investigate nonlinear modes in three-wave interaction models.

Non-convex polygons clustering algorithm

Directory of Open Access Journals (Sweden)

Kruglikov Alexey

2016-01-01

Full Text Available A clustering algorithm is proposed, to be used as a preliminary step in motion planning. It is tightly coupled to the applied problem statement, i.e. uses parameters meaningful only with respect to it. Use of geometrical properties for polygons clustering allows for a better calculation time as opposed to general-purpose algorithms. A special form of map optimized for quick motion planning is constructed as a result.

On the ionospheric coupling of auroral electric fields

Directory of Open Access Journals (Sweden)

G. T. Marklund

2009-04-01

Full Text Available The quasi-static coupling of high-altitude potential structures and electric fields to the ionosphere is discussed with particular focus on the downward field-aligned current (FAC region. Results are presented from a preliminary analysis of a selection of electric field events observed by Cluster above the acceleration region. The degree of coupling is here estimated as the ratio between the magnetic field-aligned potential drop, ΔΦ_II, as inferred from the characteristic energy of upward ion (electron beams for the upward (downward current region and the high-altitude perpendicular (to B potential, ΔΦ_bot, as calculated by integrating the perpendicular electric field across the structure. For upward currents, the coupling can be expressed analytically, using the linear current-voltage relation, as outlined by Weimer et al. (1985. This gives a scale size dependent coupling where structures are coupled (decoupled above (below a critical scale size. For downward currents, the current-voltage relation is highly non-linear which complicates the understanding of how the coupling works. Results from this experimental study indicate that small-scale structures are decoupled, similar to small-scale structures in the upward current region. There are, however, exceptions to this rule as illustrated by Cluster results of small-scale intense electric fields, correlated with downward currents, indicating a perfect coupling between the ionosphere and Cluster altitude.

Initial post dynamic buckling of a quadratic-cubic column ...

African Journals Online (AJOL)

In this investigation, we determine the dynamic buckling load of an imperfect finite column resting on a mixed quadratic-cubic nonlinear elastic foundation trapped by an explicitly time dependent sinusoidally slowly varying dynamic load .The resultant coefficients are dynamically slowly varying and the formulation contains ...

Feedback nash equilibria for linear quadratic descriptor differential games

NARCIS (Netherlands)

Engwerda, J.C.; Salmah, S.

2012-01-01

In this paper, we consider the non-cooperative linear feedback Nash quadratic differential game with an infinite planning horizon for descriptor systems of index one. The performance function is assumed to be indefinite. We derive both necessary and sufficient conditions under which this game has a

Feedback Nash Equilibria for Linear Quadratic Descriptor Differential Games

NARCIS (Netherlands)

Engwerda, J.C.; Salmah, Y.

2010-01-01

In this note we consider the non-cooperative linear feedback Nash quadratic differential game with an infinite planning horizon for descriptor systems of index one. The performance function is assumed to be indefinite. We derive both necessary and sufficient conditions under which this game has a

FGP Approach for Solving Multi-level Multi-objective Quadratic Fractional Programming Problem with Fuzzy parameters

Directory of Open Access Journals (Sweden)

m. s. osman

2017-09-01

Full Text Available In this paper, we consider fuzzy goal programming (FGP approach for solving multi-level multi-objective quadratic fractional programming (ML-MOQFP problem with fuzzy parameters in the constraints. Firstly, the concept of the ?-cut approach is applied to transform the set of fuzzy constraints into a common deterministic one. Then, the quadratic fractional objective functions in each level are transformed into quadratic objective functions based on a proposed transformation. Secondly, the FGP approach is utilized to obtain a compromise solution for the ML-MOQFP problem by minimizing the sum of the negative deviational variables. Finally, an illustrative numerical example is given to demonstrate the applicability and performance of the proposed approach.

Scaling laws for soliton pulse compression by cascaded quadratic nonlinearities (vol 24, pg 2752, 2007)

DEFF Research Database (Denmark)

Bache, Morten; Moses, J.; Wise, F.W.

2010-01-01

Erratum for [M. Bache, J. Moses, and F. W. Wise, "Scaling laws for soliton pulse compression by cascaded quadratic nonlinearities," J. Opt. Soc. Am. B 24, 2752-2762 (2007)].......Erratum for [M. Bache, J. Moses, and F. W. Wise, "Scaling laws for soliton pulse compression by cascaded quadratic nonlinearities," J. Opt. Soc. Am. B 24, 2752-2762 (2007)]....

Spatial Solitons and Induced Kerr Effects in Quasi-Phase-Matched Quadratic Media

DEFF Research Database (Denmark)

Clausen, Carl A. Balslev; Bang, Ole; Kivshar, Yu.S.

1997-01-01

We show that the evolution of the average intensity of cw beams in a quasi-phase-matched quadratic (or chi((2))) medium is strongly influenced by induced Kerr effects, such as self- and cross-phase modulation. We prove the existence of rapidly oscillating solitary waves (a spatial analog of the g......We show that the evolution of the average intensity of cw beams in a quasi-phase-matched quadratic (or chi((2))) medium is strongly influenced by induced Kerr effects, such as self- and cross-phase modulation. We prove the existence of rapidly oscillating solitary waves (a spatial analog...

The quadratic-form identity for constructing the Hamiltonian structure of integrable systems

International Nuclear Information System (INIS)

Guo Fukui; Zhang Yufeng

2005-01-01

A usual loop algebra, not necessarily the matrix form of the loop algebra A-tilde n-1 , is also made use of for constructing linear isospectral problems, whose compatibility conditions exhibit a zero-curvature equation from which integrable systems are derived. In order to look for the Hamiltonian structure of such integrable systems, a quadratic-form identity is created in the present paper whose special case is just the trace identity; that is, when taking the loop algebra A-tilde 1 , the quadratic-form identity presented in this paper is completely consistent with the trace identity

The cyclicity of a class of quadratic reversible system of genus one

International Nuclear Information System (INIS)

Shao Yi; Zhao Yulin

2011-01-01

Highlights: → We prove Conjecture 1 in Ref. Gautier et al. under certain conditions. → We apply the zero isocline of the Riccati equation to study the behavior of ω(h) in Section . → We present a method to find the number of zeros of I''(h) in Section . - Abstract: In this paper, we investigate the bifurcations of limit cycles in a class of planar quadratic reversible system of genus one x . =y+4x 2 ,y . =-x(1-8/3 y) under quadratic perturbations. It is proved that the cyclicity of the period annulus is equal to two.

Ratio of bulk to shear viscosity in a quasigluon plasma: from weak to strong coupling

CERN Document Server

Bluhm, M; Redlich, K

2012-01-01

The ratio of bulk to shear viscosity is expected to exhibit a different behaviour in weakly and in strongly coupled systems. This can be expressed by the dependence of the ratio on the squared sound velocity. In the high temperature QCD plasma at small running coupling, the viscosity ratio is uniquely determined by a quadratic dependence on the conformality measure, whereas in certain strongly coupled and nearly conformal theories this dependence is linear. Employing an effective kinetic theory of quasiparticle excitations with medium-modified dispersion relation, we analyze the ratio of bulk to shear viscosity of the gluon plasma. We show that in this approach the viscosity ratio comprises both dependencies found by means of weak coupling perturbative and strong coupling holographic techniques.

Finite element modeling of the electromechanical coupling in ionic polymer transducers

Science.gov (United States)

Akle, Barbar; Habchi, Wassim; Wallmersperger, Thomas; Leo, Donald

2010-04-01

Several researchers are actively studying Ionomeric polymer transducers (IPT) as a large strain low voltage Electro- Active Polymer (EAP) actuator. EAPs are devices that do not contain any moving parts leading to a potential large life time. Furthermore, they are light weight and flexible. An IPT is made of an ion saturated polymer usually Nafion, sandwiched between two electrodes made of a mixture of Nafion and electrically conductive particles usually RuO2 or platinum. Nafion is an acid membrane in which the cations are mobile while the anions are covalently fixed to the polymer structure. Upon the application of an electric potential on the order of 2V at the electrodes the mobile positive ions migrate towards the cathode leading to bending strains in the order of 5%. Our earlier studies demonstrate that the cations develop thin boundary layers around the electrode. Later developments in this finite element model captured the importance of adding particles in the electrode. This study presents the electromechanical coupling in ionic polymer transducers. Since all our earlier models were restricted to the electro-chemical part, here we will introduce the chemomechanical coupling. This coupling is performed based on previous studies (Akle and Leo) in which the authors experimentally showed that the mechanical strain in IPTs is proportional to a linear term and a quadratic term of the charge accumulated at the electrode. The values of the linear and quadratic terms are extracted from experimental data.

A comparison of two-component and quadratic models to assess survival of irradiated stage-7 oocytes of Drosophila melanogaster

International Nuclear Information System (INIS)

Peres, C.A.; Koo, J.O.

1981-01-01

In this paper, the quadratic model to analyse data of this kind, i.e. S/S 0 = exp(-αD-bD 2 ), where S and Ssub(o) are defined as before is proposed is shown that the same biological interpretation can be given to the parameters α and A and to the parameters β and B. Furthermore it is shown that the quadratic model involves one probabilistic stage more than the two-component model, and therefore the quadratic model would perhaps be more appropriate as a dose-response model for survival of irradiated stage-7 oocytes of Drosophila melanogaster. In order to apply these results, the data presented by Sankaranarayanan and Sankaranarayanan and Volkers are reanalysed using the quadratic model. It is shown that the quadratic model fits better than the two-component model to the data in most situations. (orig./AJ)

Cluster consensus in discrete-time networks of multiagents with inter-cluster nonidentical inputs.

Science.gov (United States)

Han, Yujuan; Lu, Wenlian; Chen, Tianping

2013-04-01

In this paper, cluster consensus of multiagent systems is studied via inter-cluster nonidentical inputs. Here, we consider general graph topologies, which might be time-varying. The cluster consensus is defined by two aspects: intracluster synchronization, the state at which differences between each pair of agents in the same cluster converge to zero, and inter-cluster separation, the state at which agents in different clusters are separated. For intra-cluster synchronization, the concepts and theories of consensus, including the spanning trees, scramblingness, infinite stochastic matrix product, and Hajnal inequality, are extended. As a result, it is proved that if the graph has cluster spanning trees and all vertices self-linked, then the static linear system can realize intra-cluster synchronization. For the time-varying coupling cases, it is proved that if there exists T > 0 such that the union graph across any T-length time interval has cluster spanning trees and all graphs has all vertices self-linked, then the time-varying linear system can also realize intra-cluster synchronization. Under the assumption of common inter-cluster influence, a sort of inter-cluster nonidentical inputs are utilized to realize inter-cluster separation, such that each agent in the same cluster receives the same inputs and agents in different clusters have different inputs. In addition, the boundedness of the infinite sum of the inputs can guarantee the boundedness of the trajectory. As an application, we employ a modified non-Bayesian social learning model to illustrate the effectiveness of our results.

On the Distribution of Indefinite Quadratic Forms in Gaussian Random Variables

KAUST Repository

Al-Naffouri, Tareq Y.

2015-10-30

© 2015 IEEE. In this work, we propose a unified approach to evaluating the CDF and PDF of indefinite quadratic forms in Gaussian random variables. Such a quantity appears in many applications in communications, signal processing, information theory, and adaptive filtering. For example, this quantity appears in the mean-square-error (MSE) analysis of the normalized least-meansquare (NLMS) adaptive algorithm, and SINR associated with each beam in beam forming applications. The trick of the proposed approach is to replace inequalities that appear in the CDF calculation with unit step functions and to use complex integral representation of the the unit step function. Complex integration allows us then to evaluate the CDF in closed form for the zero mean case and as a single dimensional integral for the non-zero mean case. Utilizing the saddle point technique allows us to closely approximate such integrals in non zero mean case. We demonstrate how our approach can be extended to other scenarios such as the joint distribution of quadratic forms and ratios of such forms, and to characterize quadratic forms in isotropic distributed random variables.We also evaluate the outage probability in multiuser beamforming using our approach to provide an application of indefinite forms in communications.

Integrable systems with quadratic nonlinearity in Fourier space

International Nuclear Information System (INIS)

Marikhin, V.G.

2003-01-01

The Lax pair representation in Fourier space is used to obtain a list of integrable scalar evolutionary equations with quadratic nonlinearity. The known systems of this type such as KdV, intermediate long-wave equation (ILW), Camassa-Holm and Degasperis-Procesi systems are represented in this list. Some new systems are obtained as well. Two-dimensional and discrete generalizations are discussed

Linear and quadratic in temperature resistivity from holography

Energy Technology Data Exchange (ETDEWEB)

Ge, Xian-Hui [Department of Physics, Shanghai University, Shanghai 200444 (China); Shanghai Key Laboratory of High Temperature Superconductors,Shanghai 200444 (China); Shanghai Key Lab for Astrophysics,100 Guilin Road, 200234 Shanghai (China); Tian, Yu [School of Physics, University of Chinese Academy of Sciences,Beijing, 100049 (China); Shanghai Key Laboratory of High Temperature Superconductors,Shanghai 200444 (China); Wu, Shang-Yu [Department of Electrophysics, National Chiao Tung University,Hsinchu 300 (China); Wu, Shao-Feng [Department of Physics, Shanghai University, Shanghai 200444 (China); Shanghai Key Laboratory of High Temperature Superconductors,Shanghai 200444 (China); Shanghai Key Lab for Astrophysics,100 Guilin Road, 200234 Shanghai (China)

2016-11-22

We present a new black hole solution in the asymptotic Lifshitz spacetime with a hyperscaling violating factor. A novel computational method is introduced to compute the DC thermoelectric conductivities analytically. We find that both the linear-T and quadratic-T contributions to the resistivity can be realized, indicating that a more detailed comparison with experimental phenomenology can be performed in this scenario.

Projection of curves on B-spline surfaces using quadratic reparameterization

KAUST Repository

Yang, Yijun; Zeng, Wei; Zhang, Hui; Yong, Junhai; Paul, Jean Claude

2010-01-01

Curves on surfaces play an important role in computer aided geometric design. In this paper, we present a hyperbola approximation method based on the quadratic reparameterization of Bézier surfaces, which generates reasonable low degree curves lying

Analysis of Quadratic Diophantine Equations with Fibonacci Number Solutions

Science.gov (United States)

Leyendekkers, J. V.; Shannon, A. G.

2004-01-01

An analysis is made of the role of Fibonacci numbers in some quadratic Diophantine equations. A general solution is obtained for finding factors in sums of Fibonacci numbers. Interpretation of the results is facilitated by the use of a modular ring which also permits extension of the analysis.

Impacts of clustering on noise-induced spiking regularity in the excitatory neuronal networks of subnetworks.

Science.gov (United States)

Li, Huiyan; Sun, Xiaojuan; Xiao, Jinghua

2015-01-01

In this paper, we investigate how clustering factors influent spiking regularity of the neuronal network of subnetworks. In order to do so, we fix the averaged coupling probability and the averaged coupling strength, and take the cluster number M, the ratio of intra-connection probability and inter-connection probability R, the ratio of intra-coupling strength and inter-coupling strength S as controlled parameters. With the obtained simulation results, we find that spiking regularity of the neuronal networks has little variations with changing of R and S when M is fixed. However, cluster number M could reduce the spiking regularity to low level when the uniform neuronal network's spiking regularity is at high level. Combined the obtained results, we can see that clustering factors have little influences on the spiking regularity when the entire energy is fixed, which could be controlled by the averaged coupling strength and the averaged connection probability.

Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

International Nuclear Information System (INIS)

Ehara, Masahiro; Piecuch, Piotr; Lutz, Jesse J.; Gour, Jeffrey R.

2012-01-01

Graphical abstract: Electronically excited states of CuCl 4 2- and CuBr 4 2- are determined using the scalar relativistic symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster calculations. The results are compared with experimental spectra. Highlights: ► Electronic spectra of CuCl 4 2- and CuBr 4 2- are examined by SAC-CI and EOMCC methods. ► Relativistic SAC-CI and EOMCC results are compared with experimental spectra. ► An assignment of bands in the CuCl 4 2- and CuBr 4 2- absorption spectra is obtained. ► Relativistic effects affect excitation energies and ground-state geometries. ► The effect of relativity on the oscillator strengths is generally small. - Abstract: The valence excitation spectra of the copper tetrachloride and copper tetrabromide open-shell dianions, CuCl 4 2- and CuBr 4 2- , respectively, are investigated by a variety of symmetry-adapted-cluster configuration-interaction (SAC-CI) and equation-of-motion coupled-cluster (EOMCC) methods. The valence excited states of the CuCl 4 2- and CuBr 4 2- species that correspond to transitions from doubly occupied molecular orbitals (MOs) to a singly occupied MO (SOMO), for which experimental spectra are available, are examined with the ionized (IP) variants of the SAC-CI and EOMCC methods. The higher-energy excited states of CuCl 4 2- and CuBr 4 2- that correspond to transitions from SOMO to unoccupied MOs, which have not been characterized experimentally, are determined using the electron-attached (EA) SAC-CI and EOMCC approaches. An emphasis is placed on the scalar relativistic SAC-CI and EOMCC calculations based on the spin-free part of the second-order Douglass–Kroll–Hess Hamiltonian (DKH2) and on a comparison of the results of the IP and EA SAC-CI and EOMCC calculations with up to 2-hole-1-particle (2h-1p) and 2-particle-1-hole (2p-1h) excitations, referred to as the IP-SAC-CI SD-R and IP-EOMCCSD(2h-1p) methods in the IP case and EA-SAC-CI SD-R and EA

OPTIMAL SHRINKAGE ESTIMATION OF MEAN PARAMETERS IN FAMILY OF DISTRIBUTIONS WITH QUADRATIC VARIANCE.

Science.gov (United States)

Xie, Xianchao; Kou, S C; Brown, Lawrence

2016-03-01

This paper discusses the simultaneous inference of mean parameters in a family of distributions with quadratic variance function. We first introduce a class of semi-parametric/parametric shrinkage estimators and establish their asymptotic optimality properties. Two specific cases, the location-scale family and the natural exponential family with quadratic variance function, are then studied in detail. We conduct a comprehensive simulation study to compare the performance of the proposed methods with existing shrinkage estimators. We also apply the method to real data and obtain encouraging results.

Quadratic Term Structure Models in Discrete Time

OpenAIRE

Marco Realdon

2006-01-01

This paper extends the results on quadratic term structure models in continuos time to the discrete time setting. The continuos time setting can be seen as a special case of the discrete time one. Recursive closed form solutions for zero coupon bonds are provided even in the presence of multiple correlated underlying factors. Pricing bond options requires simple integration. Model parameters may well be time dependent without scuppering such tractability. Model estimation does not require a r...

Testing chameleon gravity with the Coma cluster

International Nuclear Information System (INIS)

Terukina, Ayumu; Yamamoto, Kazuhiro; Lombriser, Lucas; Bacon, David; Koyama, Kazuya; Nichol, Robert C.

2014-01-01

We propose a novel method to test the gravitational interactions in the outskirts of galaxy clusters. When gravity is modified, this is typically accompanied by the introduction of an additional scalar degree of freedom, which mediates an attractive fifth force. The presence of an extra gravitational coupling, however, is tightly constrained by local measurements. In chameleon modifications of gravity, local tests can be evaded by employing a screening mechanism that suppresses the fifth force in dense environments. While the chameleon field may be screened in the interior of the cluster, its outer region can still be affected by the extra force, introducing a deviation between the hydrostatic and lensing mass of the cluster. Thus, the chameleon modification can be tested by combining the gas and lensing measurements of the cluster. We demonstrate the operability of our method with the Coma cluster, for which both a lensing measurement and gas observations from the X-ray surface brightness, the X-ray temperature, and the Sunyaev-Zel'dovich effect are available. Using the joint observational data set, we perform a Markov chain Monte Carlo analysis of the parameter space describing the different profiles in both the Newtonian and chameleon scenarios. We report competitive constraints on the chameleon field amplitude and its coupling strength to matter. In the case of f(R) gravity, corresponding to a specific choice of the coupling, we find an upper bound on the background field amplitude of |f R0 | < 6 × 10 −5 , which is currently the tightest constraint on cosmological scales

Testing chameleon gravity with the Coma cluster

Energy Technology Data Exchange (ETDEWEB)

Terukina, Ayumu; Yamamoto, Kazuhiro [Department of Physical Science, Hiroshima University, Higashi-Hiroshima, Kagamiyama 1-3-1, 739-8526 (Japan); Lombriser, Lucas; Bacon, David; Koyama, Kazuya; Nichol, Robert C., E-mail: telkina@theo.phys.sci.hiroshima-u.ac.jp, E-mail: lucas.lombriser@port.ac.uk, E-mail: kazuhiro@hiroshima-u.ac.jp, E-mail: david.bacon@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk, E-mail: bob.nichol@port.ac.uk [Institute of Cosmology and Gravitation, University of Portsmouth, Dennis Sciama Building, Portsmouth, PO1 3FX (United Kingdom)

2014-04-01

We propose a novel method to test the gravitational interactions in the outskirts of galaxy clusters. When gravity is modified, this is typically accompanied by the introduction of an additional scalar degree of freedom, which mediates an attractive fifth force. The presence of an extra gravitational coupling, however, is tightly constrained by local measurements. In chameleon modifications of gravity, local tests can be evaded by employing a screening mechanism that suppresses the fifth force in dense environments. While the chameleon field may be screened in the interior of the cluster, its outer region can still be affected by the extra force, introducing a deviation between the hydrostatic and lensing mass of the cluster. Thus, the chameleon modification can be tested by combining the gas and lensing measurements of the cluster. We demonstrate the operability of our method with the Coma cluster, for which both a lensing measurement and gas observations from the X-ray surface brightness, the X-ray temperature, and the Sunyaev-Zel'dovich effect are available. Using the joint observational data set, we perform a Markov chain Monte Carlo analysis of the parameter space describing the different profiles in both the Newtonian and chameleon scenarios. We report competitive constraints on the chameleon field amplitude and its coupling strength to matter. In the case of f(R) gravity, corresponding to a specific choice of the coupling, we find an upper bound on the background field amplitude of |f{sub R0}| < 6 × 10{sup −5}, which is currently the tightest constraint on cosmological scales.

Induced motion of domain walls in multiferroics with quadratic interaction

Energy Technology Data Exchange (ETDEWEB)

Gerasimchuk, Victor S., E-mail: viktor.gera@gmail.com [National Technical University of Ukraine “Kyiv Polytechnic Institute”, Peremohy Avenue 37, 03056 Kiev (Ukraine); Shitov, Anatoliy A., E-mail: shitov@mail.ru [Donbass National Academy of Civil Engineering, Derzhavina Street 2, 86123 Makeevka, Donetsk Region (Ukraine)

2013-10-15

We theoretically study the dynamics of 180-degree domain wall of the ab-type in magnetic materials with quadratic magnetoelectric interaction in external alternating magnetic and electric fields. The features of the oscillatory and translational motions of the domain walls and stripe structures depending on the parameters of external fields and characteristics of the multiferroics are discussed. The possibility of the domain walls drift in a purely electric field is established. - Highlights: • We study DW and stripe DS in multiferroics with quadratic magnetoelectric interaction. • We build up the theory of oscillatory and translational (drift) DW and DS motion. • DW motion can be caused by crossed alternating electric and magnetic fields. • DW motion can be caused by alternating “pure” electric field. • DW drift velocity is formed by the AFM and Dzyaloshinskii interaction terms.

Effect of non-monetary incentives on uptake of couples' counselling and testing among clients attending mobile HIV services in rural Zimbabwe: a cluster-randomised trial.

Science.gov (United States)

Sibanda, Euphemia L; Tumushime, Mary; Mufuka, Juliet; Mavedzenge, Sue Napierala; Gudukeya, Stephano; Bautista-Arredondo, Sergio; Hatzold, Karin; Thirumurthy, Harsha; McCoy, Sandra I; Padian, Nancy; Copas, Andrew; Cowan, Frances M

2017-09-01

Couples' HIV testing and counselling (CHTC) is associated with greater engagement with HIV prevention and care than individual testing and is cost-effective, but uptake remains suboptimal. Initiating discussion of CHTC might result in distrust between partners. Offering incentives for CHTC could change the focus of the pre-test discussion. We aimed to determine the impact of incentives for CHTC on uptake of couples testing and HIV case diagnosis in rural Zimbabwe. In this cluster-randomised trial, 68 rural communities (the clusters) in four districts receiving mobile HIV testing services were randomly assigned (1:1) to incentives for CHTC or not. Allocation was not masked to participants and researchers. Randomisation was stratified by district and proximity to a health facility. Within each stratum random permutation was done to allocate clusters to the study groups. In intervention communities, residents were informed that couples who tested together could select one of three grocery items worth US$1·50. Standard mobilisation for testing was done in comparison communities. The primary outcome was the proportion of individuals testing with a partner. Analysis was by intention to treat. 3 months after CHTC, couple-testers from four communities per group individually completed a telephone survey to evaluate any social harms resulting from incentives or CHTC. The effect of incentives on CHTC was estimated using logistic regression with random effects adjusting for clustering. The trial was registered with the Pan African Clinical Trial Registry, number PACTR201606001630356. From May 26, 2015, to Jan 29, 2016, of 24 679 participants counselled with data recorded, 14 099 (57·1%) were in the intervention group and 10 580 (42·9%) in the comparison group. 7852 (55·7%) testers in the intervention group versus 1062 (10·0%) in the comparison group tested with a partner (adjusted odds ratio 13·5 [95% CI 10·5-17·4]). Among 427 (83·7%) of 510 eligible

Clusters in nonsmooth oscillator networks

Science.gov (United States)

Nicks, Rachel; Chambon, Lucie; Coombes, Stephen

2018-03-01

For coupled oscillator networks with Laplacian coupling, the master stability function (MSF) has proven a particularly powerful tool for assessing the stability of the synchronous state. Using tools from group theory, this approach has recently been extended to treat more general cluster states. However, the MSF and its generalizations require the determination of a set of Floquet multipliers from variational equations obtained by linearization around a periodic orbit. Since closed form solutions for periodic orbits are invariably hard to come by, the framework is often explored using numerical techniques. Here, we show that further insight into network dynamics can be obtained by focusing on piecewise linear (PWL) oscillator models. Not only do these allow for the explicit construction of periodic orbits, their variational analysis can also be explicitly performed. The price for adopting such nonsmooth systems is that many of the notions from smooth dynamical systems, and in particular linear stability, need to be modified to take into account possible jumps in the components of Jacobians. This is naturally accommodated with the use of saltation matrices. By augmenting the variational approach for studying smooth dynamical systems with such matrices we show that, for a wide variety of networks that have been used as models of biological systems, cluster states can be explicitly investigated. By way of illustration, we analyze an integrate-and-fire network model with event-driven synaptic coupling as well as a diffusively coupled network built from planar PWL nodes, including a reduction of the popular Morris-Lecar neuron model. We use these examples to emphasize that the stability of network cluster states can depend as much on the choice of single node dynamics as it does on the form of network structural connectivity. Importantly, the procedure that we present here, for understanding cluster synchronization in networks, is valid for a wide variety of systems in

Theoretical analysis of integral neutron transport equation using collision probability method with quadratic flux approach

International Nuclear Information System (INIS)

Shafii, Mohammad Ali; Meidianti, Rahma; Wildian,; Fitriyani, Dian; Tongkukut, Seni H. J.; Arkundato, Artoto

2014-01-01

Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation

Theoretical analysis of integral neutron transport equation using collision probability method with quadratic flux approach

Energy Technology Data Exchange (ETDEWEB)

Shafii, Mohammad Ali, E-mail: mashafii@fmipa.unand.ac.id; Meidianti, Rahma, E-mail: mashafii@fmipa.unand.ac.id; Wildian,, E-mail: mashafii@fmipa.unand.ac.id; Fitriyani, Dian, E-mail: mashafii@fmipa.unand.ac.id [Department of Physics, Andalas University Padang West Sumatera Indonesia (Indonesia); Tongkukut, Seni H. J. [Department of Physics, Sam Ratulangi University Manado North Sulawesi Indonesia (Indonesia); Arkundato, Artoto [Department of Physics, Jember University Jember East Java Indonesia (Indonesia)

2014-09-30

Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation.

Nonlocal description of X waves in quadratic nonlinear materials

DEFF Research Database (Denmark)

Larsen, Peter Ulrik Vingaard; Sørensen, Mads Peter; Bang, Ole

2006-01-01

We study localized light bullets and X-waves in quadratic media and show how the notion of nonlocality can provide an alternative simple physical picture of both types of multi-dimensional nonlinear waves. For X-waves we show that a local cascading limit in terms of a nonlinear Schrodinger equation...

Sequential Quadratic Programming Algorithms for Optimization

Science.gov (United States)

1989-08-01

quadratic program- ma ng (SQ(2l ) aIiatain.seenis to be relgarded aIs tie( buest choice for the solution of smiall. dlense problema (see S tour L)toS...For the step along d, note that a < nOing + 3 szH + i3.ninA A a K f~Iz,;nd and from Id1 _< ,,, we must have that for some /3 , np , 11P11 < dn"p. 5.2...Nevertheless, many of these problems are considered hard to solve. Moreover, for some of these problems the assumptions made in Chapter 2 to establish the

Size dependent magnetism of mass selected deposited transition metal clusters

International Nuclear Information System (INIS)

Lau, T.

2002-05-01

The size dependent magnetic properties of small iron clusters deposited on ultrathin Ni/Cu(100) films have been studied with circularly polarised synchrotron radiation. For X-ray magnetic circular dichroism studies, the magnetic moments of size selected clusters were aligned perpendicular to the sample surface. Exchange coupling of the clusters to the ultrathin Ni/Cu(100) film determines the orientation of their magnetic moments. All clusters are coupled ferromagnetically to the underlayer. With the use of sum rules, orbital and spin magnetic moments as well as their ratios have been extracted from X-ray magnetic circular dichroism spectra. The ratio of orbital to spin magnetic moments varies considerably as a function of cluster size, reflecting the dependence of magnetic properties on cluster size and geometry. These variations can be explained in terms of a strongly size dependent orbital moment. Both orbital and spin magnetic moments are significantly enhanced in small clusters as compared to bulk iron, although this effect is more pronounced for the spin moment. Magnetic properties of deposited clusters are governed by the interplay of cluster specific properties on the one hand and cluster-substrate interactions on the other hand. Size dependent variations of magnetic moments are modified upon contact with the substrate. (orig.)

Laser ionization of molecular clusters

International Nuclear Information System (INIS)

Desai, S.; Feigerle, C.S.

1995-01-01

Multiphoton ionization coupled with mass spectrometry was used to investigate molecular cluster distributions. Three examples will be discussed in this presentation. First, in studies of neat nitric oxide clusters, (NO) m , an interesting odd-even intensity alternation was observed and will be discussed in terms of electron-pairing considerations. In a separate study, the binary clusters comprising nitric oxide and methane preferentially form a stoichiometric cluster made up of repeating units of (NO) 2 CH 4 . These presumably represent a particularly strongly bound open-quotes van der Waalsclose quotes subunit. Finally, in similar studies of neat carbon disulfide clusters, (CS 2 ) m , additional photon absorption after the two-photon ionization step stimulates a series of intracluster ion-molecular reactions leading to formation of S m + and (CS) m + polymers, as well as intermediate species such as S m + (CS 2 ). This molecular cluster analogue of open-quotes laser snowclose quotes will be described in detail

Quadratic algebras in the noncommutative integration method of wave equation

International Nuclear Information System (INIS)

Varaksin, O.L.