A5017485151- Advanced Chemical Physics Studies
- Cultural Insights and Digital Impacts
- French Urban and Social Studies
- Atomic and Molecular Physics
- Cultural Industries and Urban Development
- Education, sociology, and vocational training
- Neurobiology of Language and Bilingualism
- Economic Theory and Institutions
- Cultural Identity and Heritage
- Business Strategy and Innovation
- Social Sciences and Governance
- Information Technology and Learning
- Cold Atom Physics and Bose-Einstein Condensates
- Competitive and Knowledge Intelligence
- Language, Discourse, Communication Strategies
- Diverse multidisciplinary academic research
- Agriculture and Rural Development Research
- Second Language Acquisition and Learning
- French Language Learning Methods
- EFL/ESL Teaching and Learning
- Mass Spectrometry Techniques and Applications
- Philosophy and History of Science
- Regional Development and Policy
- Insect and Pesticide Research
- Phonetics and Phonology Research
Institut Méditerranéen des Sciences de l'Information et de la Communication
2012-2024
Université Paris Cité
1992-2023
Centre de Linguistique Inter-langues, de Lexicologie, de Linguistique Anglaise et de Corpus-Atelier de Recherche sur la Parole
2022-2023
Institut Agro Montpellier
2023
Université de Montpellier
2023
Institut National de Recherche pour l'Agriculture, l'Alimentation et l'Environnement
2022-2023
Laboratoire de Linguistique Formelle
2016-2022
Sorbonne Paris Cité
2022
Université de Toulon
1985-2021
Centre National de la Recherche Scientifique
1986-2020
The standard Pauli Hamiltonian is highly singular for Coulomb potentials near the nuclei of atoms. It shown that theory effective Hamiltonians allows determination Pauli-like are regular enough to be used in variational calculations. A numerical illustration given hydrogenic atoms with atomic number varying from Z = 1 86. These calculations yield relativistic correction which studying series neutral rare gas Our approach opens way accurate two-component molecules.
Abstract Revised values of core pseudopotential parameters are presented together with optimized PS-31 G valence basis sets for atoms from Li to Ca and Ga Kr. Studies more than thirty test molecules indicate a very good agreement 6–31 results atomization energies, geometries, dipole moments force constants.
A new second-order representation of the Dirac equation is presented. This which exact for a hydrogen atom applied to approximate analytical self-consistent-field calculations atoms. Results are given rare-gas atoms from helium radon and lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions.
This study evaluated an inference-based approach (IBA) to the treatment of obsessive-compulsive disorder (OCD) by comparing its efficacy with a based on cognitive appraisal model (CAM) and exposure response prevention (ERP). IBA considers initial intrusions in OCD (e.g. "Maybe door is open", "My hands could be dirty") as idiosyncratic inferences about possible states affairs arrived at through inductive reasoning. In such primary represent starting point obsessional doubt, reasoning...
The identification of specific electronic structures that do not interchange with varying geometry is related to the problem finding a set approximately diabatic states. We propose new transformation identify such from one nuclear configuration another one. This transformation, used in previously proposed schemes construct nearly states, improves efficiency these procedures which can be methods minimizing explicitly nonadiabatic coupling.
Abstract This paper offers a pragmatic account of two wh -questions in French used non-canonically - c’est quoi, ce N and qu’est-ce que constructions. It is claimed that this non-canonical use, both constructions express surprise. As these may be syntactically ambiguous between an information-seeking reading surprise reading, it expected the readings differ terms prosody. hypothesis supported by results production experiment. Experimental evidence shows significant prosodic differences...
Objective: To compare cognitive behaviour therapy (CBT) with CBT plus medication; medication alone; and placebo in the treatment of adult obsessive–compulsive disorder (OCD). Method: Forty‐eight participants (43 completers) were recruited into two protocols. In first protocol, 21 people OCD randomly allocated to either a standard (fluvoxamine) or condition for 5‐month period. Both these groups subsequently received further 5 months. second 22 CBT, one group was already stabilized on an...
Abstract Semilocal pseudopotential operators can be expressed as a linear combination of nonlocal (projection) operators. Pseudopotential operator integrals over molecular basis set are therefore reduced to combinations overlap products. Molecular calculations indicate that sufficient precision achieved with limited number Analytic derivatives easily deduced and implemented in standard quantum chemistry program.
The Cs(7p)+(X 1∑+g, v=0) H2→(X 2∑+, CsH+H reactive collision was recently experimentally observed from a crossed beam experiment by Crépin et al. This reaction is rather unusual since it starts highly excited state of the system (11th potential surface) and must reach ground surface in product channel without energy loss. Accurate nonempirical CI calculations for collinear are reported, using large basis sets relativistic pseudopotential Cs atom. adiabatic surfaces, which exhibit irregular...
The ground and lowest excited state potential curves of the AlH molecule have been calculated in a double-zeta-plus polarization basis set Gaussian type orbitals. core electrons Al atom are taken into account through nonempirical pseudopotential. Large scale CI’s performed according to CIPSI technique. transition energies, bond distances, force constants good agreement with experiment for observed states. Three new states dissociative or long equilibrium distance identified.
Besides unavoidable discontinuities of the finite-order potential curves derivatives at symmetry-breaking point, UHH Möller–Plesset perturbation series show very slow convergence intermediate and large interatomic distances. This bad behavior has two origins: (i) MP denominators tend towards a constant value instead vanishing so that each contribution is decreasing too rapidly with distance; this remark condemns use zeroth-order Hamiltonian forces to adopt an Epstein–Nesbet definition; (ii)...
In molecular Hartree-Fock instability problems (here restricted to the types of instabilities known as axial-spin-density waves and charge-density in Fukutome's classification), attention is usually concentrated on lowest solution each type, one appearing at shortest interatomic distances. As shown, for instance, cyclic ${\mathrm{Li}}_{6}$ cluster problem, an asymptotic look symmetry-breaking problem enables generate a multiplicity solutions which have generally been ignored. For...
2938) Résumé L'intelligence territoriale est un concept nomade, une notion au contenu et aux contours encore uctuants.Cet article se propose d'éclaircir quelques zones d'ombres en partant d'une comparaison avec voisine béné ciant popularité plus grande, l'intelligence économique.Cette étude d'essence comparative montre comment deux approches divergentes de coexistent, chacune reposant sur conception distincte du territoire développement.
L'étude conduite en 2013-2014 auprès d'élèves de classe seconde souligne qu'ils ne sont pas réfractaires à la lecture d'œuvres littéraires. Si l'histoire les intéresse, ils prêts faire l'effort quel que soit le support. Pourtant leur attirance, plus ou moins forte, se concrétise faiblement actes. numérique n'est pas, lui-même, déclencheur du désir lire, il est revanche identifié comme une possibilité d'accès l'œuvre, inscrite alors dans l'univers référence ces adolescents. Les médiations...