Feshbach Resonances in Cold Collisions: Benchmarking State of the Art ab initio Potential Energy Surfaces
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arXiv
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| Autori principali: | , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2024
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| _version_ | 1866915411815038976 |
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| author | Horn, Karl P. Upadhyay, Meenu Margulis, Baruch Reich, Daniel M. Narevicius, Edvardas Meuwly, Markus Koch, Christiane P. |
| author_facet | Horn, Karl P. Upadhyay, Meenu Margulis, Baruch Reich, Daniel M. Narevicius, Edvardas Meuwly, Markus Koch, Christiane P. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_13197 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Feshbach Resonances in Cold Collisions: Benchmarking State of the Art ab initio Potential Energy Surfaces Horn, Karl P. Upadhyay, Meenu Margulis, Baruch Reich, Daniel M. Narevicius, Edvardas Meuwly, Markus Koch, Christiane P. Chemical Physics Quantum Physics 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. |
| title | Feshbach Resonances in Cold Collisions: Benchmarking State of the Art ab initio Potential Energy Surfaces |
| topic | Chemical Physics Quantum Physics |
| url | https://arxiv.org/abs/2408.13197 |