Search results for "RISA"

showing 10 items of 788 documents

Ab initio study on the low-lying excited states of retinal

1997

Ab initio results for the electronic spectrum of all-trans-retinal and its truncated model 3-methyl-all-trans (10-s-cis)-2,4,6,8,10-undecapentaen-1-al are presented. The study includes geometry determination of the ground state. Vertical excitation energies have been computed using multiconfigurational second-order perturbation theory through the CASPT2 formalism. The lowest singlet excited state in gas phase is predicted to be of nπ∗ character. The lowest triplet state corresponds, however, to a ππ∗ state. The most intense feature of the spectrum is due to the strongly dipole-allowed ππ∗ transition, in accordance with the observed maximum in the one-photon spectra. The vertical excitation …

PhotochemistryChemistryExcited statesAb initioGeneral Physics and AstronomyPerturbation theoryTriplet stateSpectral lineGround statesUNESCO::FÍSICA::Química físicaAb initio quantum chemistry methodsExcited stateOrganic compoundsSolvent effectsTwo-photon spectraIsomerisationAb initio calculationsSinglet statePhysical and Theoretical ChemistryAtomic physicsTriplet state:FÍSICA::Química física [UNESCO]Ground stateExcitationOrganic compounds ; Excited states ; Ab initio calculations ; Perturbation theory ; Triplet state ; Solvent effects ; Isomerisation ; Ground states ; Two-photon spectra ; Photochemistry
researchProduct

Optical transitions and excitonic recombination in InAs/InP self-assembled quantum wires

2001

InAs self-assembled quantum wire structures have been grown on InP substrates and studied by means of photoluminescence and polarized-light absorption measurements. According to our calculations, the observed optical transitions in each sample are consistent with wires of different heights, namely from 6 to 13 monolayers. The nonradiative mechanism limiting the emission intensity at room temperature is related to thermal escape of carriers out of the wires.

PhotoluminescenceIII-V semiconductorsPhysics and Astronomy (miscellaneous)ExcitonCondensed Matter::Materials ScienceIndium compoundsMonolayerLight absorptionAbsorption (electromagnetic radiation)QuantumPhotoluminescencePhysicsAtmospheric escapebusiness.industryQuantum wireSelf-assemblyInterface statesCondensed Matter::Mesoscopic Systems and Quantum Hall EffectLight polarisationSemiconductor quantum wiresOptoelectronicsExcitonsSelf-assemblyNonradiative transitionsbusiness
researchProduct

Synthesis of low density foam shells for inertial confinement fusion experiments

2011

This work deals with the fabrication process of low density foam shells and the sharp control of their shape (diameter, thickness, density, sphericity, non-concentricity). During this PhD we focused on the non-concentricity criterion which has to be lower than 1%. The shells are synthesized using a microencapsulation process leading to a double emulsion and followed by a thermal polymerization at 60°C. According to the literature, three major parameters, the density of the three phases, the deformations of the shells along the process and the kinetics of the polymerization have a direct influence on the shells non-concentricity. The results obtained showed that when the density gap between …

PhotopolymerizationNon-concentricityDensityEmulsion double[ PHYS.COND.CM-GEN ] Physics [physics]/Condensed Matter [cond-mat]/Other [cond-mat.other]DispersionMicroballonDouble emulsionTrimethylolpropane trimethacrylate[CHIM.OTHE] Chemical Sciences/OtherRadical polymerizationPolymerisation radicalaire[ CHIM.OTHE ] Chemical Sciences/OtherShellNon-concentricitéDensité[CHIM.OTHE]Chemical Sciences/OtherMicroencapsulationPhotopolymérisation
researchProduct

A Ramsey apparatus for the measurement of the incoherent neutron scattering length of the deuteron

2008

Abstract A Ramsey apparatus for cold, polarised neutrons is described, which enables us to measure neutron precession angles with an absolute accuracy of about 1 ∘ . This is necessary to perform a planned high-accuracy measurement of the incoherent neutron scattering length b i , d of the deuteron. The performance of the apparatus is demonstrated in systematic stability measurements as well as in two selected examples using samples containing polarised nuclear spins.

PhysicsNuclear and High Energy PhysicsNuclear TheoryDynamic nuclear polarisationNeutron scatteringSmall-angle neutron scatteringInelastic neutron scatteringNeutron time-of-flight scatteringNeutron spin echoNuclear physicsQuasielastic neutron scatteringNeutronNuclear ExperimentInstrumentationNuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment
researchProduct

Predictions of covariant chiral perturbation theory for nucleon polarisabilities and polarised Compton scattering

2015

We update the predictions of the SU(2) baryon chiral perturbation theory for the dipole polarisabilities of the proton, $\{\alpha_{E1},\,\beta_{M1}\}_p=\{11.2(0.7),\,3.9(0.7)\}\times10^{-4}$fm$^3$, and obtain the corresponding predictions for the quadrupole, dispersive, and spin polarisabilities: $\{\alpha_{E2},\,\beta_{M2}\}_p=\{17.3(3.9),\,-15.5(3.5)\}\times10^{-4}$fm$^5$, $\{\alpha_{E1\nu},\,\beta_{M1\nu}\}_p=\{-1.3(1.0),\,7.1(2.5)\}\times10^{-4}$fm$^5$, and $\{\gamma_{E1E1},\,\gamma_{M1M1},\,\gamma_{E1M2},\,\gamma_{M1E2}\}_p=\{-3.3(0.8),\,2.9(1.5),\,0.2(0.2),\,1.1(0.3)\}\times10^{-4}$fm$^4$. The results for the scalar polarisabilities are in significant disagreement with semi-empirical …

PhysicsParticle physicsChiral perturbation theoryNuclear TheoryPhysics and Astronomy (miscellaneous)ProtonFOS: Physical sciencesCompton scattering Protons and neutron polarisabilitiesNuclear Theory (nucl-th)BaryonHigh Energy Physics - PhenomenologyHigh Energy Physics - Phenomenology (hep-ph)PionProduction (computer science)Sensitivity (control systems)Sum rule in quantum mechanicsNucleonEngineering (miscellaneous)The European Physical Journal C
researchProduct

RESPONSABILITÉ EST PLANIFICATION. OEdipe planificateur de la ville du présent.

2016

Il contributo analizza e individua scenari di sviluppo per una condizione particolarmente sensibile quale quella in cui i grandi valori del patrimonio culturale e paesaggistico si intrecciano con le richiesta di trasformazione. La relazione, quindi, tra la pianificazione territoriale e una visione strategicamente orientata per la valutazione delle risorse ambientali viene individuata come una possibile soluzione alla crescita senza controllo e come risolutore della condizione di conflitto determinato dalla assenza di relazioni tra tutelato e non tutelato. Le document analyse et identifie les scénarios de développement pour une condition particulièrement sensible: les grandes valeurs du pays…

Planification stratégiquePianificazione StrategicaSettore ICAR/21 - Urbanisticavalutazione ambientaletutela e valorizzazionela protection et la valorisation du patrimoine culturelévaluation environnementale
researchProduct

Organisation du séminaire Pivots

2017

National audience

Plateformes d’Innovationscentre-val de loire[SHS] Humanities and Social Sciencesmétrologie environnementaleComputingMilieux_MISCELLANEOUSde Valorisation et d’Optimisation Technologique environnementaleS[SHS]Humanities and Social Sciencespivotsplateforme
researchProduct

Pohjoismainen työmarkkinamalli digipaniikin aikakaudella

2017

Työn tulevaisuudesta käytävissä keskusteluissa muutosta pidetään vääjäämättö­ mänä ja deterministisenä erityisesti silloin, kun on kyse teknologian vaikutuksesta työhön ja työllisyyteen. Kuitenkin vertailevat tutkimukset osoittavat, että työ­ markkinoiden rakennemuutoksen polarisaatiokehitys eli jakautuminen ”hyviin” ja ”huonoihin” töihin on ollut Pohjoismaissa muuta Eurooppaa lievempää. Teknologiseen determinismiin liittyvä vääjäämättömyyden retoriikka epäpolitisoi muutoksen. Teknologian kehitystä, käyttöönottoa ja seurauksia on pyritty poliittisesti hallitsemaan. Pohjoismaisen työmarkkinamallin rakentuminen on tästä mainio esimerkki. Työn tulevaisuutta koskevissa keskusteluissa tulisikin …

Pohjoismainen työmarkkinamalliteknologiatyöllisyystyöelämätulevaisuuspolarisaatio
researchProduct

Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using cholesky dec…

2004

A new implementation of the approximate coupled cluster singles and doubles CC2 linear response model using Cholesky decomposition of the two-electron integrals is presented. Significantly reducing storage demands and computational effort without sacrificing accuracy compared to the conventional model, the algorithm is well suited for large-scale applications. Extensive basis set convergence studies are presented for the static and frequency-dependent electric dipole polarizability of benzene and C60, and for the optical rotation of CNOFH2 and (−)-trans-cyclooctene (TCO). The origin-dependence of the optical rotation is calculated and shown to persist for CC2 even at basis set convergence. …

PolarisabilityChemistryUNESCO::FÍSICAGeneral Physics and AstronomyComputational physicsDipolePhysics and Astronomy (all)Coupled clusterCoupled cluster calculationsFullerene compoundsOptical rotation ; Coupled cluster calculations ; Organic compounds ; Polarisability ; Fullerene compoundsComputational chemistryPolarizability:FÍSICA [UNESCO]Convergence (routing)Organic compoundsOptical rotationPhysical and Theoretical ChemistryLinear response theoryOptical rotationBasis setCholesky decomposition
researchProduct

Local properties of quantum chemical systems: the LoProp approach.

2004

A new method is presented, which makes it possible to partition molecular properties like multipole moments and polarizabilities, into atomic and interatomic contributions. The method requires a subdivision of the atomic basis set into occupied and virtual basis functions for each atom in the molecular system. The localization procedure is organized into a series of orthogonalizations of the original basis set, which will have as a final result a localized orthonormal basis set. The new localization procedure is demonstrated to be stable with various basis sets, and to provide physically meaningful localized properties. Transferability of the methyl properties for the alkane series and of t…

Polarisabilitybusiness.industryChemistryGeneral Physics and AstronomyBasis functionQuantum chemistryQuantum mechanicsddc:540Theoretical chemistryPhysics::Atomic and Molecular ClustersPartition (number theory)Molecular momentsOrthonormal basisStatistical physicsSet theoryPhysical and Theoretical ChemistrybusinessMultipole expansionQuantum chemistryBasis setSubdivisionThe Journal of chemical physics
researchProduct