{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2026:SGYZ6XMGL5W3E7SO3WPUZ5NS57","short_pith_number":"pith:SGYZ6XMG","schema_version":"1.0","canonical_sha256":"91b19f5d865f6db27e4edd9f4cf5b2efd5ea676e21d85c538ffb11337ca4779b","source":{"kind":"arxiv","id":"2605.14617","version":1},"attestation_state":"computed","paper":{"title":"Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Cangtao Yin, Markus Meuwly, Stefan Willitsch","submitted_at":"2026-05-14T09:35:50Z","abstract_excerpt":"Full-dimensional reactive potential energy surfaces (PESs) for the OCS$^+$ cation are constructed to describe S$^+$ loss in the electronic ground state and seven low-lying electronically excited states. High-level \\textit{ab initio} reference energies were computed at the MRCI+Q/aug-cc-pVTZ level and were used to generate PESs employing reproducing kernel Hilbert space representations (RKHS). The PESs accurately reproduce the measured dissociation limits to CO(X$^1\\Sigma^+$)+S$^+$ in different electronic states. The topology of the PESs reveals multiple linear and T-shaped minima, pronounced a"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2605.14617","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-14T09:35:50Z","cross_cats_sorted":[],"title_canon_sha256":"39e11a92cdce36fa6112be7f1b4a381c72e6c5bedd641a21c72ebf167e008d62","abstract_canon_sha256":"001d0c517a254676deebe9d8a666c34dc064224951f5a11f3b490990885dce10"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:39:04.100821Z","signature_b64":"doUDX3297E3/eU8yUuXyOh4JEkOLJ9clxgdZ5vKRWp42fKJueQcSVoEh5Px6Snixw78X4N90iHuSjAC9IbyxAw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"91b19f5d865f6db27e4edd9f4cf5b2efd5ea676e21d85c538ffb11337ca4779b","last_reissued_at":"2026-05-17T23:39:04.100225Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:39:04.100225Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Cangtao Yin, Markus Meuwly, Stefan Willitsch","submitted_at":"2026-05-14T09:35:50Z","abstract_excerpt":"Full-dimensional reactive potential energy surfaces (PESs) for the OCS$^+$ cation are constructed to describe S$^+$ loss in the electronic ground state and seven low-lying electronically excited states. High-level \\textit{ab initio} reference energies were computed at the MRCI+Q/aug-cc-pVTZ level and were used to generate PESs employing reproducing kernel Hilbert space representations (RKHS). The PESs accurately reproduce the measured dissociation limits to CO(X$^1\\Sigma^+$)+S$^+$ in different electronic states. The topology of the PESs reveals multiple linear and T-shaped minima, pronounced a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.14617","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"aliases":[{"alias_kind":"arxiv","alias_value":"2605.14617","created_at":"2026-05-17T23:39:04.100332+00:00"},{"alias_kind":"arxiv_version","alias_value":"2605.14617v1","created_at":"2026-05-17T23:39:04.100332+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.14617","created_at":"2026-05-17T23:39:04.100332+00:00"},{"alias_kind":"pith_short_12","alias_value":"SGYZ6XMGL5W3","created_at":"2026-05-18T12:33:37.589309+00:00"},{"alias_kind":"pith_short_16","alias_value":"SGYZ6XMGL5W3E7SO","created_at":"2026-05-18T12:33:37.589309+00:00"},{"alias_kind":"pith_short_8","alias_value":"SGYZ6XMG","created_at":"2026-05-18T12:33:37.589309+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57","json":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57.json","graph_json":"https://pith.science/api/pith-number/SGYZ6XMGL5W3E7SO3WPUZ5NS57/graph.json","events_json":"https://pith.science/api/pith-number/SGYZ6XMGL5W3E7SO3WPUZ5NS57/events.json","paper":"https://pith.science/paper/SGYZ6XMG"},"agent_actions":{"view_html":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57","download_json":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57.json","view_paper":"https://pith.science/paper/SGYZ6XMG","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2605.14617&json=true","fetch_graph":"https://pith.science/api/pith-number/SGYZ6XMGL5W3E7SO3WPUZ5NS57/graph.json","fetch_events":"https://pith.science/api/pith-number/SGYZ6XMGL5W3E7SO3WPUZ5NS57/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57/action/timestamp_anchor","attest_storage":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57/action/storage_attestation","attest_author":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57/action/author_attestation","sign_citation":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57/action/citation_signature","submit_replication":"https://pith.science/pith/SGYZ6XMGL5W3E7SO3WPUZ5NS57/action/replication_record"}},"created_at":"2026-05-17T23:39:04.100332+00:00","updated_at":"2026-05-17T23:39:04.100332+00:00"}