Search results for "Computation"

showing 10 items of 7362 documents

A numerical study of atmospheric signals in the Earth-ionosphere electromagnetic cavity with the Transmission Line Matrix method

2006

[1] The effect of the Earth-ionosphere electromagnetic cavity on the spectrum of an atmospheric signal generated by a broadband electrical current source is analyzed numerically by means of the Transmission Line Matrix (TLM) method. Two new TLM meshes are developed, one with transmission lines connected in parallel and the other with connections in series. The equations describing propagation through these parallel or series meshes are equivalent to the Maxwell equations for TEr or TMr modes in the spherical Earth-ionosphere cavity, respectively. The numerical algorithm obtains Schumann resonance frequencies very close to the experimental ones, confirming that this methodology is a valid nu…

Atmospheric ScienceSoil ScienceTransmission-line matrix methodAquatic ScienceOceanographysymbols.namesakeOpticsGeochemistry and PetrologyTransmission lineElectromagnetic cavityEarth and Planetary Sciences (miscellaneous)Earth-Surface ProcessesWater Science and TechnologyPhysicsEcologySchumann resonancesbusiness.industryPaleontologyResonanceForestryComputational physicsGeophysicsMaxwell's equationsSpace and Planetary SciencesymbolsIonospherebusinessMatrix methodJournal of Geophysical Research
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2016

Abstract. We analyze polar stratospheric cloud (PSC) signatures in airborne MIPAS-STR (Michelson Interferometer for Passive Atmospheric Sounding – STRatospheric aircraft) observations in the spectral regions from 725 to 990 and 1150 to 1350 cm−1 under conditions suitable for the existence of nitric acid trihydrate (NAT) above northern Scandinavia on 11 December 2011. The high-resolution infrared limb emission spectra of MIPAS-STR show a characteristic “shoulder-like” signature in the spectral region around 820 cm−1, which is attributed to the ν2 symmetric deformation mode of NO3− in β-NAT. Using radiative transfer calculations involving Mie and T-Matrix methods, the spectral signatures of s…

Atmospheric ScienceSpectral signature010504 meteorology & atmospheric sciences010405 organic chemistryScatteringChemistryRadiusAtmospheric sciences01 natural sciencesSpectral line0104 chemical sciencesComputational physicsRadiative transferParticleEmission spectrumStratosphere0105 earth and related environmental sciencesAtmospheric Chemistry and Physics
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Numerical analysis of ionosphere disturbances and Schumann mode splitting in the Earth-ionosphere cavity

2008

[1] The variability of ionosphere properties plays an important role in the Schumann resonances (SR), amplitudes, frequencies, and Q factor. Therefore, as atmosphere ionization is related to solar activity, SR could be devised as a source of indirect parameters that locally from the surface of the Earth could provide space weather information. A proper understanding of this link to SR parameters can be obtained through finite difference time domain (FDTD) simulations, specifically with the numerically obtained modes and frequencies that relate frequency shifts to the day-night asymmetry and polar inhomogeneities. Day-Night asymmetry is observed to have a minor influence in SR; however, larg…

Atmospheric Sciencemedia_common.quotation_subjectSoil SciencePerturbation (astronomy)Aquatic ScienceSpace weatherOceanographyAsymmetryOpticsGeochemistry and PetrologyIonizationEarth and Planetary Sciences (miscellaneous)Earth-Surface ProcessesWater Science and Technologymedia_commonPhysicsEcologySchumann resonancesbusiness.industryPaleontologyForestryComputational physicsGeophysicsAmplitudeSpace and Planetary SciencePolarAstrophysics::Earth and Planetary AstrophysicsIonospherebusinessJournal of Geophysical Research: Space Physics
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An evaluation of the estimation of road traffic emission factors from tracer studies

2010

Road traffic emission factors (EFs) are one of the main sources of uncertainties in emission inventories; it is necessary to develop methods to reduce these uncertainties to manage air quality more efficiently. Recently an alternative method has been proposed to estimate the EFs. In that work the emission factors were estimated from a long term tracer study developed in Ho Chi Minh City (HCMC) Vietnam. A passive tracer was continuously emitted from a finite line source placed in one side of an urban street canyon. Simultaneously, the resulting tracer concentrations were monitored at the other side of the street. The results of this experiment were used to calculate the dispersion factors an…

Atmospheric Sciencemodel validationPart Ii010504 meteorology & atmospheric sciencesMeteorologyStreet CanyonsField010501 environmental sciencesComputational fluid dynamics01 natural sciencesLine sourceDispersion ModelsPollutant DispersionTRACER11. SustainabilityRange (statistics)Statistical dispersionEmission inventoryAir quality index0105 earth and related environmental sciencesGeneral Environmental ScienceWind tunneltracer studiesFlowbusiness.industrystreet canyon[SHS.GEO]Humanities and Social Sciences/GeographyAir-QualityParticles13. Climate actionEnvironmental scienceWind-TunnelbusinessSimulationreal-world motor vehicle emissionsComputational Fluids Dynamics (CFD)
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Analysis of broadband surface BRDFs derived from TOA SW CERES measurements for surfaces classified by the IGBP land cover

2012

Most studies on the reflectance properties of the Earth's surface are addressed estimating the bidirectional reflectance distribution function (BRDF) of high spatial resolution and high spectral resolution satellite measurements. This article assesses the development of broadband (BB) BRDFs from radiances corresponding to large footprints classified according to the International Geosphere-Biosphere Programme (IGBP) land-cover classification. Top-of-atmosphere (TOA) shortwave (SW) CERES (Clouds and the Earth's Radiant Energy System) measurements are employed to invert the bidirectional reflectance factor (BRF) Rahman–Pinty–Verstraete (RPV) model for regions identified with the same IGBP typ…

Atmospheric radiative transfer codesComputationParametric modelGeneral Earth and Planetary SciencesRadiant energyEnvironmental scienceBidirectional reflectance distribution functionLand coverSpectral resolutionAtmospheric sciencesShortwaveRemote sensingInternational Journal of Remote Sensing
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The electron affinity of astatine

2020

One of the most important properties influencing the chemical behavior of an element is the electron affinity (EA). Among the remaining elements with unknown EA is astatine, where one of its isotopes, 211At, is remarkably well suited for targeted radionuclide therapy of cancer. With the At− anion being involved in many aspects of current astatine labeling protocols, the knowledge of the electron affinity of this element is of prime importance. Here we report the measured value of the EA of astatine to be 2.41578(7) eV. This result is compared to state-of-the-art relativistic quantum mechanical calculations that incorporate both the Breit and the quantum electrodynamics (QED) corrections and…

Atomic Physics (physics.atom-ph)ENERGIESGeneral Physics and AstronomyElectron01 natural sciences7. Clean energyPhysics - Atomic PhysicsElectronegativityastatiinielectron affinityPhysics::Atomic Physicslcsh:SciencePhysicsMultidisciplinary010304 chemical physicsIsotopeQELECTRONEGATIVITYMultidisciplinary SciencesHalogenScience & Technology - Other Topicsddc:500Atomic physicsBASIS-SET CONVERGENCE[CHIM.RADIO]Chemical Sciences/RadiochemistryRadioactive decayChemical physicsAstrophysics::High Energy Astrophysical PhenomenaScienceComputer Science::Neural and Evolutionary ComputationOther Fields of PhysicsPOTENTIALSFOS: Physical scienceschemistry.chemical_elementphysics.atom-phGeneral Biochemistry Genetics and Molecular BiologyArticleIonElectron affinity0103 physical sciences[CHIM]Chemical Sciences010306 general physicsAstatineDETECTORScience & TechnologySTABILITYRadiochemistry500General Chemistrychemistrylcsh:Qastatine
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Space-borne Bose–Einstein condensation for precision interferometry

2018

Space offers virtually unlimited free-fall in gravity. Bose-Einstein condensation (BEC) enables ineffable low kinetic energies corresponding to pico- or even femtokelvins. The combination of both features makes atom interferometers with unprecedented sensitivity for inertial forces possible and opens a new era for quantum gas experiments. On January 23, 2017, we created Bose-Einstein condensates in space on the sounding rocket mission MAIUS-1 and conducted 110 experiments central to matter-wave interferometry. In particular, we have explored laser cooling and trapping in the presence of large accelerations as experienced during launch, and have studied the evolution, manipulation and interf…

Atomic Physics (physics.atom-ph)FOS: Physical sciencesSpace (mathematics)01 natural sciencesPhysics - Atomic Physicslaw.invention010309 opticslawLaser cooling0103 physical sciencesAstronomical interferometer010306 general physicsQuantumCondensed Matter::Quantum GasesPhysicsMultidisciplinaryBragg's lawinterferometryBose-EinsteinComputational physicsInterferometryQuantum Gases (cond-mat.quant-gas)QuasiparticleAtomic physicsCondensed Matter - Quantum GasesBose–Einstein condensateNature
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Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment

2014

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions and near degeneracy static correlations. In this work we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function $f(r_{12})$ depending on the interelectronic distance $r_{12}$. Since the three types of correlations mentioned lead to different signatures in terms of the natural orbital (NO) amplitudes in two-electron systems we make an analysis of the wave function in t…

Atomic Physics (physics.atom-ph)General Physics and AstronomyFOS: Physical sciencesPhysics - Atomic Physicssymbols.namesakeCondensed Matter - Strongly Correlated ElectronsAtomic orbitalQuantum mechanicsPhysics - Chemical PhysicsPhysics::Atomic PhysicsSDG 7 - Affordable and Clean EnergyPhysical and Theoretical ChemistryWave functionAnsatzPhysicsChemical Physics (physics.chem-ph)Quantum Physics/dk/atira/pure/sustainabledevelopmentgoals/affordable_and_clean_energyta114Electronic correlationStrongly Correlated Electrons (cond-mat.str-el)Computational Physics (physics.comp-ph)Diatomic molecule3. Good healthBond lengthAmplitudesymbolsvan der Waals forceQuantum Physics (quant-ph)Physics - Computational Physics
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Long-range interactions and the sign of natural amplitudes in two-electron systems

2013

In singlet two-electron systems the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the expansion coefficients of the two-electron wave function in a natural orbital basis. In this work we relate the sign of the natural amplitudes to the nature of the two-body interaction. We show that long-range Coulomb-type interactions are responsible for the appearance of positive amplitudes and give both analytical and numerical examples that illustrate how the long-distance structure of the wave function affects these amplitudes. We further demonstrate that the amplitudes show an avoided crossing behavior as func…

Atomic Physics (physics.atom-ph)General Physics and AstronomyInteraction strengthFOS: Physical sciences02 engineering and technologyElectron01 natural sciencesPhysics - Atomic PhysicsCondensed Matter - Strongly Correlated Electronssymbols.namesakeQuantum mechanics0103 physical sciencesCoulombPhysical and Theoretical ChemistryWave functionPhysicsQuantum Physicsta114010304 chemical physicsStrongly Correlated Electrons (cond-mat.str-el)Avoided crossingComputational Physics (physics.comp-ph)021001 nanoscience & nanotechnologyAmplitudesymbolsReduced density matrix0210 nano-technologyHamiltonian (quantum mechanics)Quantum Physics (quant-ph)Physics - Computational Physics
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The CCSD(T) model with Cholesky decomposition of orbital energy denominators

2010

A new implementation of the coupled cluster singles and doubles with approximate triples correction method [CCSD(T)] using Cholesky decomposition of the orbital energy denominators is described. The new algorithm reduces the scaling of CCSD(T) from N-7 to N-6, where N is the number of orbitals. The Cholesky decomposition is carried out using simple analytical expressions that allow us to evaluate a priori the order in which the decomposition should be carried out and to obtain the relevant parts of the vectors whenever needed in the calculation. Several benchmarks have been carried out comparing the performance of the conventional and Cholesky CCSD(T) implementations. The Cholesky implement…

Atomic and Molecular Physics and Opticorbital energy denominatorT-modelreduced scalingCondensed Matter PhysicCondensed Matter PhysicsAtomic and Molecular Physics and OpticsSpecific orbital energyCoupled clusterAtomic orbitalComputational chemistryDecomposition (computer science)Applied mathematicsA priori and a posterioriCCSD(T)Physical and Theoretical ChemistryCholesky decompositionScalingMathematicsCholesky decompositionInternational Journal of Quantum Chemistry
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