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Electronic quenching of sulfur induced by argon collisions.
Phys Chem Chem Phys
January 2025
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes) - UMR 6251, F-35000 Rennes, France.
An accurate potential energy model, explicitly designed for studying scattering and treating the spin-orbit and nonadiabatic couplings on an equal footing, is proposed for the S + Ar system. The model is based on the Effective Relativistic Coupling by Asymptotic Representation (ERCAR) approach, building the geometry dependence of the spin-orbit interaction a diabatisation scheme. The resulting full diabatic model is used in close-coupling calculations to compute inelastic scattering cross sections for de-excitation from the S(D) fine structure level into the P multiplet.
View Article and Find Full Text PDFThermodynamic Stability in Transition Metal-Hydrogen Dications: Potential Energy Curves, Spectroscopic Parameters, and Bonding for VH.
J Comput Chem
January 2025
Universidade de São Paulo, Instituto de Química, Departamento de Química Fundamental, São Paulo, Brazil.
Seventeen electronic states of the dication VH were characterized by the SA-CASSCF/icMRCI methodology using very extended basis sets; 11 were described for the first time. Potential energy curves were constructed and the associated spectroscopic parameters evaluated. Triplet and quintet states correlating with the V + H channel are thermodynamic stable.
View Article and Find Full Text PDFCollective excitations and low-energy ionization signatures of relativistic particles in silicon detectors.
Commun Phys
December 2024
C. N. Yang Institute for Theoretical Physics, Stony Brook University, Stony Brook, NY 11794 USA.
Solid-state detectors with a low energy threshold have several applications, including searches of non-relativistic halo dark-matter particles with sub-GeV masses. When searching for relativistic, beyond-the-Standard-Model particles with enhanced cross sections for small energy transfers, a small detector with a low energy threshold may have better sensitivity than a larger detector with a higher energy threshold. In this paper, we calculate the low-energy ionization spectrum from high-velocity particles scattering in a dielectric material.
View Article and Find Full Text PDFThe space of transport coefficients allowed by causality.
Nat Phys
October 2024
Mathematical Sciences and STAG Research Centre, University of Southampton, Highfield, Southampton UK.
As an effective theory, relativistic hydrodynamics is fixed by symmetries up to a set of transport coefficients. A lot of effort has been devoted to explicit calculations of these coefficients. Here we adopt a more general approach, deploying bootstrap techniques to rule out theories that are inconsistent with microscopic causality.
View Article and Find Full Text PDFRelativistic EELS scattering cross-sections for microanalysis based on Dirac solutions.
Ultramicroscopy
March 2025
Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom. Electronic address:
The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, exciting bound electrons from their ground states to higher unoccupied states. To quantify EELS, the common practice is to compare the cross-sections integrated within an energy window or fit the observed spectrum with theoretical differential cross-sections calculated from a generalized oscillator strength (GOS) database with experimental parameters. The previous Hartree-Fock-based and DFT-based GOS are calculated from Schrödinger's solution of atomic orbitals, which does not include the full relativistic effects.
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