{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Horn KP"],"funding":["Swiss National Science Foundation","Universit?t Basel","Air Force Office of Scientific Research"],"pagination":["7862-7867"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12337136"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["16(31)"],"pubmed_abstract":["High-quality potential energy surfaces (PESs) are prerequisites for quantitative atomistic simulations with both quantum and classical dynamics approaches. The ultimate test for the validity of a PES entails 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<sub>2</sub><sup>+</sup> system. We show that measurement of the final state distributions for a process that involves 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 in the short and intermediate ranges."],"journal":["The journal of physical chemistry letters"],"pubmed_title":["Feshbach Resonances in Cold Collisions: Benchmarking State-of-the-Art Ab Initio Potential Energy Surfaces."],"pmcid":["PMC12337136"],"funding_grant_id":["200021 215088","FA8655-21-1-7048","200020 219779"],"pubmed_authors":["Horn KP","Narevicius E","Meuwly M","Koch CP","Upadhyay M","Margulis B","Reich DM"],"additional_accession":[]},"is_claimable":false,"name":"Feshbach Resonances in Cold Collisions: Benchmarking State-of-the-Art Ab Initio Potential Energy Surfaces.","description":"High-quality potential energy surfaces (PESs) are prerequisites for quantitative atomistic simulations with both quantum and classical dynamics approaches. The ultimate test for the validity of a PES entails 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<sub>2</sub><sup>+</sup> system. We show that measurement of the final state distributions for a process that involves 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 in the short and intermediate ranges.","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Aug","modification":"2026-05-02T02:47:23.729Z","creation":"2026-04-07T17:34:42.069Z"},"accession":"S-EPMC12337136","cross_references":{"pubmed":["40717308"],"doi":["10.1021/acs.jpclett.5c01581"]}}