Search Results - "Pérez‐Ríos, Jesús"
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Py3BR: A software for computing atomic three‐body recombination rates
Published in Journal of computational chemistry (30-06-2024)“…The three‐body recombination reaction, or ternary association, is a termolecular reaction leading to a molecule after a three‐body encounter that plays a vital…”
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Observation of pendular butterfly Rydberg molecules
Published in Nature communications (05-10-2016)“…Engineering molecules with a tunable bond length and defined quantum states lies at the heart of quantum chemistry. The unconventional binding mechanism of…”
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AlF-AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization
Published in Molecules (Basel, Switzerland) (31-12-2023)“…AlF is a relevant molecule in astrochemistry as a tracer of F-bearing molecules. Additionally, AlF presents diagonal Franck-Condon factors and can be created…”
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Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16-03-2023)“…Different machine learning (ML) models are proposed in the present work to predict density functional theory-quality barrier heights (BHs) from semiempirical…”
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Energy Scaling of Cold Atom-Atom-Ion Three-Body Recombination
Published in Physical review letters (12-05-2016)“…We study three-body recombination of Ba^{+}+Rb+Rb in the mK regime where a single ^{138}Ba^{+} ion in a Paul trap is immersed into a cloud of ultracold ^{87}Rb…”
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Mapping atomic trapping in an optical superlattice onto the libration of a planar rotor in electric fields
Published in New journal of physics (01-02-2023)“…We show that two seemingly unrelated problems—the trapping of an atom in an optical superlattice (OSL) and the libration of a planar rigid rotor in combined…”
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7
The diatomic molecular spectroscopy database
Published in Journal of cheminformatics (11-05-2020)“…Motivation The spectroscopy of diatomic molecules is an important research area in chemical physics due to its relevance in astrochemistry, combustion…”
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Ultracold molecule assembly with photonic crystals
Published in New journal of physics (14-12-2017)“…Photoassociation (PA) is a powerful technique to synthesize molecules directly and continuously from cold and ultracold atoms into deeply bound molecular…”
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Direct detection of nuclear scattering of sub-Gev dark matter using molecular excitations
Published in Physical review research (15-11-2019)“…We propose a novel direct detection concept to search for dark matter with 100 keV to 100 MeV masses. Such dark matter can scatter off molecules in a gas and…”
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PyQCAMS: Python Quasi-Classical Atom–Molecule Scattering
Published in Atoms (01-05-2024)“…We present Python Quasi-classical atom–molecule scattering (PyQCAMS v0.1.0), a new Python package for atom–diatom scattering within the quasi-classical…”
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Ultracold Chemical Reactions of a Single Rydberg Atom in a Dense Gas
Published in Physical review. X (10-08-2016)“…Within a dense environment (ρ≈1014atoms/cm3 ) at ultracold temperatures (T<1μK ), a single atom excited to a Rydberg state acts as a reaction center for…”
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Quasi-Static Lineshape Theory for Rydberg Excitations in High-Density Media
Published in Atoms (01-06-2023)“…This work presents a theoretical approach for lineshapes of Rydberg excitations in high-density media. In particular, we introduce the quasi-static lineshape…”
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Probing an Electron Scattering Resonance using Rydberg Molecules within a Dense and Ultracold Gas
Published in Physical review letters (01-02-2016)“…We present spectroscopy of a single Rydberg atom excited within a Bose-Einstein condensate. We not only observe the density shift as discovered by Amaldi and…”
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14
Rotational state-dependent attachment of He atoms to cold molecular ions: An action spectroscopic scheme for rotational spectroscopy
Published in Journal of molecular spectroscopy (01-02-2017)“…[Display omitted] •Novel action spectroscopic scheme for rotational spectroscopy in cold ion traps.•Detailed kinetics model including key elementary processes…”
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Life and death of a cold BaRb + molecule inside an ultracold cloud of Rb atoms
Published in Physical review research (01-02-2021)“…We study the evolution of a single BaRb$^+$ molecule while it continuously collides with ultracold Rb atoms. The initially weakly-bound molecule can undergo a…”
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Quantum defect theory description of weakly bound levels and Feshbach resonances in LiRb
Published in New journal of physics (27-04-2015)“…The multichannel quantum defect theory (MQDT) in combination with the frame transformation (FT) approach is applied to model the Fano-Feshbach resonances…”
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Complex Reaction Network Thermodynamic and Kinetic Autoconstruction Based on Ab Initio Statistical Mechanics: A Case Study of O 2 Activation on Ag 4 Clusters
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-07-2021)“…An approach based on statistical mechanics is demonstrated for autoconstructing complex reaction networks. molecular dynamics combined with Markov state models…”
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Ultracold chemistry as a testbed for few-body physics
Published in Nature physics (01-05-2024)“…Ultracold atoms, molecules and ions provide a unique playground to explore chemistry at ultracold temperatures. In this Review, we discuss what makes these…”
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Ozone Formation in Ternary Collisions: Theory and Experiment Reconciled
Published in Physical review letters (11-03-2022)“…The present Letter shows that the formation of ozone in ternary collisions O+O_{2}+M-the primary mechanism of ozone formation in the stratosphere-at…”
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Theory of Long-Range Ultracold Atom-Molecule Photoassociation
Published in Physical review letters (14-08-2015)“…The creation of ultracold molecules is currently limited to diatomic species. In this Letter, we present a theoretical description of the photoassociation of…”
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