{"schema":"pubphys.bundle/1","record":{"author":{"account_ref":null,"orcid":null},"builds_on":[],"content_schema":"pubphys.content.revision/1","content_sha256":"0d785b114841479bfbdd027e6e9e4b1f053b3bcedeebc97efe82369dd4002788","created":"2026-10-03T07:17:58Z","files":[],"origin":{"assisted_by":[],"kind":"seed"},"parents":["5475cf5dc5b1a72283d26dc95dc6e00d7ea4e00096a7c6492e409a1816eeb011"],"salt":"883832df81d300d268419a671a576be9248d25fbfe697c9106c1557e21d54719","schema":"pubphys.record/2","site":"pubphys.com","target":null,"type":"revision"},"content":{"answer_type":"mechanism","assisted_by":[],"external_id":"chem.nonadiabatic-dynamics.no-gold-relaxation","kind":"phenomenon","literature_status":"contested","n":"1","parents":[],"plain":"Highly vibrating NO molecules bouncing off a gold surface lose most of their vibration by exciting electrons in the metal. The two main theories disagree with each other and with the measured amount of energy lost.","posed_since":"","precise":"For NO($v_{i}=3$ and $v_{i}=16$) scattering from Au(111) at incidence energies 0.05 to 1 eV, compute the final vibrational distribution $P(v_{f})$ and its dependence on incidence energy and orientation, and identify which treatment of nonadiabatic electron-hole pair excitation (electronic friction, independent-electron surface hopping, or a many-body treatment of the NO- anion state) reproduces the measured multiquantum relaxation. An answer is a first-principles calculation matching $P(v_{f})$ within experimental error for both initial states.","problem_ref":null,"references":"","settled_by":"First-principles nonadiabatic scattering calculations with an accurate NO/Au potential and anion state that reproduce the state-to-state molecular-beam data.","status_note":"","title":"Vibrational energy loss of NO molecules colliding with 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