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Feshbach Resonances in Cold Collisions: Benchmarking State of the Art ab initio Potential Energy Surfaces

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arxiv 2408.13197 v2 pith:FA5NJ6OD submitted 2024-08-23 physics.chem-ph quant-ph

classification physics.chem-phquant-ph
keywords energycoldexperimentalfeshbachinteractionsintermediatepotentialquantitative
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

High-quality potential energy surfaces (PES) are a prerequisite for quantitative atomistic simulations, with both quantum and classical dynamics approaches. The ultimate test for the validity of a PES are comparisons with judiciously chosen experimental observables. Here we ask whether cold collision measurements are sufficiently informative to validate and distinguish between high-level, state-of-the art PESs for the strongly interacting Ne-H$_2^+$ system. We show that measurement of the final state distributions for a process that involves only several metastable intermediate states is sufficient to identify the PES that captures the long-range interactions properly. Furthermore, we show that a modest increase in the experimental energy resolution will allow for resolving individual Feshbach resonances and enable a quantitative probe of the interactions at short and intermediate range.

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Cited by 1 Pith paper

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks

    physics.chem-ph 2024-11 conditional novelty 6.0 of 10

    A tiny neural network using simple distance-based fingerprints matches the accuracy of million-parameter neural network potentials for small molecules, while evaluating faster and extrapolating more safely.

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