Search results for " graph"

showing 10 items of 1277 documents

Bond-extended stochastic and nonstochastic bilinear indices. I. QSPR/QSAR applications to the description of properties/activities of small-medium si…

2010

Bond-extended stochastic and nonstochastic bilinear indices are introduced in this article as novel bond-level molecular descriptors (MDs). These novel totals (whole-molecule) MDs are based on bilinear maps (forms) similar to use defined in linear algebra. The proposed nonstochastic indices try to match molecular structure provided by the molecular topology by using the kth Edge(Bond)-Adjacency Matrix (Ek, designed here as a nonstochastic E matrix). The stochastic parameters are computed by using the kth stochastic edge-adjacency matrix, ESk, as matrix operators of bilinear transformations. This new edge (bond)-adjacency relationship can be obtained directly from Ek and can be considered li…

Quantitative structure–activity relationshipChemistryBilinear interpolationCondensed Matter PhysicsAtomic and Molecular Physics and Opticschemistry.chemical_compoundsymbols.namesakeComputational chemistryPolarizabilityMolecular descriptorLinear regressionLinear algebrasymbolsApplied mathematicsMolecular graphPhysical and Theoretical Chemistryvan der Waals forceInternational Journal of Quantum Chemistry
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Event-based criteria in GT-STAF information indices: theory, exploratory diversity analysis and QSPR applications

2012

Versatile event-based approaches for the definition of novel information theory-based indices (IFIs) are presented. An event in this context is the criterion followed in the "discovery" of molecular substructures, which in turn serve as basis for the construction of the generalized incidence and relations frequency matrices, Q and F, respectively. From the resultant F, Shannon's, mutual, conditional and joint entropy-based IFIs are computed. In previous reports, an event named connected subgraphs was presented. The present study is an extension of this notion, in which we introduce other events, namely: terminal paths, vertex path incidence, quantum subgraphs, walks of length k, Sach's subg…

Quantitative structure–activity relationshipEntropyChemistry OrganicInformation TheoryQuantitative Structure-Activity RelationshipBioengineeringInformation theoryJoint entropyMolecular descriptorDrug DiscoveryComputer GraphicsCluster AnalysisEntropy (information theory)QuantumMathematicsDiscrete mathematicsMolecular StructureLinear modelComputational BiologyGeneral MedicineEthylenesModels TheoreticalLinear ModelsMolecular MedicineSubstructureHydrophobic and Hydrophilic InteractionsAlgorithmsSoftwareSAR and QSAR in Environmental Research
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A Possible Time-Dependent Generalization of the Bipartite Quantum Marginal Problem

2018

In this work we study an inverse dynamical problem for a bipartite quantum system governed by the time local master equation: to find the class of generators which give rise to a certain time evolution with the constraint of fixed reduced states (marginals). The compatibility of such choice with a global unitary evolution is considered. For the non unitary case we propose a systematic method to reconstruct examples of master equations and address them to different physical scenarios.

Quantum PhysicsAtomic and Molecular Physics and OpticTime evolutionInverseFOS: Physical sciencespure quantum state01 natural sciencesMultipartite entanglementAtomic and Molecular Physics and Optics010305 fluids & plasmasQuantum statemultipartite entanglement0103 physical sciencesMaster equationBipartite graphQuantum systemApplied mathematicsbipartite quantum system010306 general physicsQuantum Physics (quant-ph)quantum controlQuantumEngineering (miscellaneous)Mathematics
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Quantum synchronisation and clustering in chiral networks

2022

We study the emergence of synchronisation in a chiral network of harmonic oscillators. The network consists of a set of locally incoherently pumped harmonic oscillators coupled pairwise in cascade with travelling field modes. Such cascaded coupling leads to feedback-less dissipative interaction between the harmonic oscillators of the pair which can be described in terms of an effective pairwise hamiltonian a collective pairwise decay. The network is described mathematically in terms of a directed graph. By analysing geometries of increasing complexity we show how the onset of synchronisation depends strongly on the network topology, with the emergence of synchronised communities in the case…

Quantum Physicsquantum synchronization chiral network dissipative open quantum systems graphs communitiesChiral networkFOS: Physical sciencesGeneral Physics and AstronomyGraphs communitieschiral network; dissipative open quantum systems; graphs communities; quantum synchronizationQuantum synchronizationQuantum Physics (quant-ph)Dissipative open quantum systemsNew Journal of Physics
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Improved determination of the mass of the1−+light hybrid meson from QCD sum rules

2003

We calculate the next-to-leading order (NLO) ${\ensuremath{\alpha}}_{s}$ corrections to the contributions of the condensates $〈\ensuremath{\alpha}{G}^{2}〉$ and $〈\overline{q}q{〉}^{2}$ in the current-current correlator of the hybrid current $g\overline{q}(x){\ensuremath{\gamma}}_{\ensuremath{\nu}}{\mathrm{iF}}_{\ensuremath{\mu}\ensuremath{\nu}}^{a}{T}^{a}q(x)$ using the external field method in the Feynman gauge. After incorporating these NLO contributions into the Laplace sum rules, the mass of the ${J}^{\mathrm{PC}}{=1}^{\ensuremath{-}+}$ light hybrid meson is recalculated using the QCD sum rule approach. We find that the sum rules exhibit enhanced stability when the NLO ${\ensuremath{\alp…

Quantum chromodynamicsPhysicsNuclear and High Energy PhysicsQCD sum rulesParticle physicsMeson010308 nuclear & particles physicsHigh Energy Physics::PhenomenologyOrder (ring theory)Feynman graph01 natural sciencessymbols.namesake0103 physical sciencessymbolsExternal fieldFeynman diagramHigh Energy Physics::ExperimentSum rule in quantum mechanics010306 general physicsPhysical Review D
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Gauge-invariant truncation scheme for the Schwinger-Dyson equations of QCD

2008

We present a new truncation scheme for the Schwinger-Dyson equations of QCD that respects gauge invariance at any level of the dressed loop expansion. When applied to the gluon self-energy, it allows for its non-perturbative treatment without compromising the transversality of the solution, even when entire sets of diagrams (most notably the ghost loops) are omitted, or treated perturbatively.

Quantum chromodynamicsPhysicsNuclear and High Energy PhysicsTransversalityHigh Energy Physics::LatticeHigh Energy Physics::PhenomenologyFOS: Physical sciencesFísicaFeynman graphInvariant (physics)GluonHigh Energy Physics::TheoryHigh Energy Physics - PhenomenologyHigh Energy Physics - Phenomenology (hep-ph)Self-energyQuantum electrodynamicsGauge theoryQuantum field theoryMathematical physics
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Recovering entanglement by local operations

2012

We investigate the phenomenon of bipartite entanglement revivals under purely local operations in systems subject to local and independent classical noise sources. We explain this apparent paradox in the physical ensemble description of the system state by introducing the concept of "hidden" entanglement, which indicates the amount of entanglement that cannot be exploited due to the lack of classical information on the system. For this reason this part of entanglement can be recovered without the action of non-local operations or back-transfer process. For two noninteracting qubits under a low-frequency stochastic noise, we show that entanglement can be recovered by local pulses only. We al…

Quantum information; Entanglement; Decoherence; Open quantum systemsQuantum PhysicsQuantum informationComputer scienceCondensed Matter - SuperconductivityQuantum information; Entanglement; Open quantum systemsGeneral Physics and AstronomyFOS: Physical sciencesQuantum entanglementQuantum PhysicsDecoherenceAction (physics)Settore FIS/03 - Fisica Della MateriaOpen quantum systemsSuperconductivity (cond-mat.supr-con)EntanglementNoiseQubitBipartite graphStatistical physicsQuantum Physics (quant-ph)
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Quark Contraction Tool -- QCT

2016

We present a Mathematica package for the calculation of Wick contractions in quantum field theories - QCT. Furthermore the package aims at automatically generating code for the calculation of physical matrix elements, suitable for numerical evaluation in a C++ program. To that end commonly used algebraic manipulations for the calculation of matrix elements in lattice QCD are implemented.

QuarkPhysicsQuantum chromodynamicsHigh Energy Physics - Lattice (hep-lat)Lattice field theoryFOS: Physical sciencesGeneral Physics and AstronomyLattice QCDDirected graphComputational Physics (physics.comp-ph)Symbolic computation01 natural sciences010305 fluids & plasmasAlgebraHigh Energy Physics - LatticeHardware and ArchitectureQuantum mechanics0103 physical sciencesComputer Science::Mathematical SoftwareAlgebraic numberQuantum field theory010306 general physicsPhysics - Computational Physics
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Color decomposition of multi-quark one-loop QCD amplitudes

2014

In this talk we discuss the color decomposition of tree-level and one-loop QCD amplitudes with arbitrary numbers of quarks and gluons. We present a method for the decomposition of partial amplitudes into primitive amplitudes, which is based on shuffle relations and is purely combinatorial. Closed formulae are derived, which do not require the inversion of a system of linear equations.

QuarkQuantum chromodynamicsPhysicsHigh Energy Physics - TheoryHigh Energy Physics::LatticeHigh Energy Physics::PhenomenologyFOS: Physical sciencesFeynman graphSystem of linear equationsGluonHigh Energy Physics - PhenomenologyAmplitudeHigh Energy Physics - Phenomenology (hep-ph)High Energy Physics - Theory (hep-th)Quark–gluon plasmaMathematical physics
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Orbital mapping of carbon thin films by XANES-spectromicroscopy

2000

Abstract A laterally resolved micro-XANES study (X-ray absorption near edge structure) of amorphous carbon, hydrogen terminated CVD-diamond (100) and highly oriented pyrolytic graphite (HOPG) is presented. The results were obtained by means of a photoemission electron microscope. Using this technique the well-known spectral features of carbon in its different chemical states (sp 2 , sp 3 ) could be recorded. The sp 2 /sp 3 content of the films was extracted from the spectra. Images, taken at X-ray energies corresponding to maxima (π*, C–H*) of the unoccupied density of states in these spectra, map the lateral distribution of the different orbitals at the sample surface. This study revealed …

RadiationMaterials scienceAnalytical chemistrychemistry.chemical_elementDiamondengineering.materialCondensed Matter PhysicsAtomic and Molecular Physics and OpticsXANESElectronic Optical and Magnetic MaterialsCrystallographyChemical stateAmorphous carbonchemistryHighly oriented pyrolytic graphiteDensity of statesengineeringGraphitePhysical and Theoretical ChemistryCarbonSpectroscopyJournal of Electron Spectroscopy and Related Phenomena
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