An Introduction to Cold and Ultracold Chemistry

Pérez-Ríos, Jesús

doi:10.1007/978-3-030-55936-6

Cited by 38 publications

(34 citation statements)

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“…The regions where the QCT results deviate from the Langevin prediction correspond to collision energies larger than the molecular ion's binding energy, denoted as the vertical dashed lines in Figure 2. Indeed, the agreement between the vibrational quenching cross-section and the Langevin prediction translates into a very efficient vibrational-translational energy, which can be rationalised in terms of the adiabaticity parameter [8,82,92].…”

Section: A Weakly Bound Molecular Ion In An Ultracold Bath Of Atomsmentioning

confidence: 86%

“…As a result, we notice that quantum mechanical effects dominate cold chemistry processes involving neutrals. However, at the same regime, ion-atom interactions in ion-neutral hybrid traps are well-suited scenarios for a classical trajectory approach [8,82].…”

Section: A Necessary Preamblementioning

confidence: 99%

“…In contrast, the initial conditions for the trajectories are chosen according to the colliding partners' quantum state through the Wentzel, Kramers, and Brillouin (WKB) or semi-classical approximation. The same methodology is applied to map the final values of position and momenta of the trajectories within the phase-space into quantum states of the system at hand [8,82,89,90]. A weakly bound molecular ion colliding with an atom leads, apart from the expected elastic collisions, to three possible outcomes.…”

Section: A Weakly Bound Molecular Ion In An Ultracold Bath Of Atomsmentioning

confidence: 99%

“…Cold chemistry focuses on the study of chemical reactions at temperatures 1 mK T 1 K [1][2][3][4][5][6][7][8]. At these temperatures, atoms and molecules' dynamics are presumably dominated by pure quantum mechanical behaviour, leading to intriguing phenomena on chemical CONTACT J. Pérez-Ríos jperezri@fhi-berlin.mpg.de Molecular Physics, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany reactions such as resonance effects.…”

Section: Introductionmentioning

confidence: 99%

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Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Pérez‐Ríos

2021

Molecular Physics

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Impurity physics is a traditional topic in condensed matter physics that nowadays is being explored in the field of ultracold gases. Among the different classes of impurities, we focus on charged impurities in an ultracold bath. When a single ion is brought in contact with an ultracold gas, it is subjected to different reactive processes that can be understood from a cold chemistry perspective. In this work, we present an outlook of approaches for the dynamics of a single ion in a bath of ultracold atoms or molecules, complementing the usual many-body approaches characteristic of impurity physics within condensed matter physics. In particular, we focus on the evolution of a charged impurity in different baths, including external time-dependent trapping potentials, and explore the effect of the external laser sources present in ion-neutral hybrid traps on the reaction probability and evolution of an impurity.

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Section: A Weakly Bound Molecular Ion In An Ultracold Bath Of Atomsmentioning

confidence: 86%

Section: A Necessary Preamblementioning

confidence: 99%

Section: A Weakly Bound Molecular Ion In An Ultracold Bath Of Atomsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Pérez‐Ríos

2021

Molecular Physics

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“…In this work, we focus on heteronuclear molecules due to their relevance on laser cooling of molecules with applications in ultracold chemistry. [47][48][49] The employed dataset contains the main spectroscopic constants: R e , u e , and D 0 for the ground electronic state of heteronuclear diatomic molecules. In particular, it contains the experimental values of R e , u e for 256 heteronuclear diatomic molecules taken from ref.…”

Section: The Datasetmentioning

confidence: 99%

On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach

2021

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Py3BR: A software for computing atomic three‐body recombination rates

Koots,

Wang,

Mirahmadi

et al. 2024

J Comput Chem

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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 role in many relevant scenarios in chemical physics. Here, we introduce the Python 3‐Body Recombination program, which is dedicated to the computation of atomic three‐body recombination rate coefficients. The software is based on a classical trajectory approach in hyperspherical coordinates after mapping the three‐body problem as a single particle in a higher‐dimensional space. This theoretical approach is fully general and applicable to any ion‐atom‐atom or atom‐atom‐atom three‐body process. The predictive power of the methodology has been tested in several different experimental scenarios, reaching a good description of every system. The code structure is presented alongside examples and tests to ensure the software's capacity. In addition, the performance of the software after parallelization is shown.

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An Introduction to Cold and Ultracold Chemistry

Cited by 38 publications

References 0 publications

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

On the relationship between spectroscopic constants of diatomic molecules: a machine learning approach

Py3BR: A software for computing atomic three‐body recombination rates

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