{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:MD3WAEUOZZNKGZAQTKIO7WZLAW","short_pith_number":"pith:MD3WAEUO","canonical_record":{"source":{"id":"2605.19361","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-19T04:47:02Z","cross_cats_sorted":[],"title_canon_sha256":"4594585270eeef0f12adba4727bacda076acd03ef1c95ee7fc0b928280e8d529","abstract_canon_sha256":"41665ce3a47eae98f50d863cd45f895ebc5f40ef24aa25e58ce7a19f4df5e4d9"},"schema_version":"1.0"},"canonical_sha256":"60f760128ece5aa364109a90efdb2b058c4f35b44efed9bb8d63b46fabdbb95c","source":{"kind":"arxiv","id":"2605.19361","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.19361","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"arxiv_version","alias_value":"2605.19361v1","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.19361","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_12","alias_value":"MD3WAEUOZZNK","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_16","alias_value":"MD3WAEUOZZNKGZAQ","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_8","alias_value":"MD3WAEUO","created_at":"2026-05-20T01:05:41Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:MD3WAEUOZZNKGZAQTKIO7WZLAW","target":"record","payload":{"canonical_record":{"source":{"id":"2605.19361","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-19T04:47:02Z","cross_cats_sorted":[],"title_canon_sha256":"4594585270eeef0f12adba4727bacda076acd03ef1c95ee7fc0b928280e8d529","abstract_canon_sha256":"41665ce3a47eae98f50d863cd45f895ebc5f40ef24aa25e58ce7a19f4df5e4d9"},"schema_version":"1.0"},"canonical_sha256":"60f760128ece5aa364109a90efdb2b058c4f35b44efed9bb8d63b46fabdbb95c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-20T01:05:41.520020Z","signature_b64":"M8Si3kTwRUqIrU569khc2BqIFV95r8IQMA+ln2vD0KJ7RMXTofvH0halgLIHlMJTd48iTYHYG1HvkvNkyYpuDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"60f760128ece5aa364109a90efdb2b058c4f35b44efed9bb8d63b46fabdbb95c","last_reissued_at":"2026-05-20T01:05:41.519357Z","signature_status":"signed_v1","first_computed_at":"2026-05-20T01:05:41.519357Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2605.19361","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-20T01:05:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"gwmxywo+8JKUYtYNslcgJnSLyDx3GVGYvcLLLeperpXvDv9TcGJgj1GFceScNx6GjbpAiuU0y24TaioqJVQ5CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-02T18:56:39.577125Z"},"content_sha256":"b50adbc4f7879b172897044b8acc52a8999ccd193369ec224042749401d3225a","schema_version":"1.0","event_id":"sha256:b50adbc4f7879b172897044b8acc52a8999ccd193369ec224042749401d3225a"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:MD3WAEUOZZNKGZAQTKIO7WZLAW","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Spin-Adapted TDDFT","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Tai Wang, Xiaoyu Zhang","submitted_at":"2026-05-19T04:47:02Z","abstract_excerpt":"Linear-response TDDFT is widely used for excited states but suffers from spin contamination in spin-conserving and spin-flip channels. We develop a spin-adapted RPA by using tensor equation-of-motion and applying the Wigner-Eckart theorem with tensor decoupling. Casting the RPA Fock matrix and kernels as energy derivatives gives a TDDFT extension. To restore spin-component degeneracy, we use hybrids combining HF exchange with spin-unpolarized pure XC parts. Benchmarks, Cr$_2$ dissociation, and phenol O-H conical intersections demonstrate the method."},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.19361","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.19361/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-20T01:05:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8c7BDX570XsZRX2uIHtsAUCzfMAhYKUknMEzq82w8s5hlyxi9oR+mmypH/+XQN0Jaxs90S2QMxNLu2YczgF9Bg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-02T18:56:39.577621Z"},"content_sha256":"b629b3aca4559b5570550ed43ebd0386cfd0153c85bf3d10cb91bff7bc4100b3","schema_version":"1.0","event_id":"sha256:b629b3aca4559b5570550ed43ebd0386cfd0153c85bf3d10cb91bff7bc4100b3"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/bundle.json","state_url":"https://pith.science/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-06-02T18:56:39Z","links":{"resolver":"https://pith.science/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW","bundle":"https://pith.science/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/bundle.json","state":"https://pith.science/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/state.json","well_known_bundle":"https://pith.science/.well-known/pith/MD3WAEUOZZNKGZAQTKIO7WZLAW/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:MD3WAEUOZZNKGZAQTKIO7WZLAW","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"41665ce3a47eae98f50d863cd45f895ebc5f40ef24aa25e58ce7a19f4df5e4d9","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-19T04:47:02Z","title_canon_sha256":"4594585270eeef0f12adba4727bacda076acd03ef1c95ee7fc0b928280e8d529"},"schema_version":"1.0","source":{"id":"2605.19361","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.19361","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"arxiv_version","alias_value":"2605.19361v1","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.19361","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_12","alias_value":"MD3WAEUOZZNK","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_16","alias_value":"MD3WAEUOZZNKGZAQ","created_at":"2026-05-20T01:05:41Z"},{"alias_kind":"pith_short_8","alias_value":"MD3WAEUO","created_at":"2026-05-20T01:05:41Z"}],"graph_snapshots":[{"event_id":"sha256:b629b3aca4559b5570550ed43ebd0386cfd0153c85bf3d10cb91bff7bc4100b3","target":"graph","created_at":"2026-05-20T01:05:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2605.19361/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Linear-response TDDFT is widely used for excited states but suffers from spin contamination in spin-conserving and spin-flip channels. We develop a spin-adapted RPA by using tensor equation-of-motion and applying the Wigner-Eckart theorem with tensor decoupling. Casting the RPA Fock matrix and kernels as energy derivatives gives a TDDFT extension. To restore spin-component degeneracy, we use hybrids combining HF exchange with spin-unpolarized pure XC parts. Benchmarks, Cr$_2$ dissociation, and phenol O-H conical intersections demonstrate the method.","authors_text":"Tai Wang, Xiaoyu Zhang","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-19T04:47:02Z","title":"Spin-Adapted TDDFT"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.19361","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:b50adbc4f7879b172897044b8acc52a8999ccd193369ec224042749401d3225a","target":"record","created_at":"2026-05-20T01:05:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"41665ce3a47eae98f50d863cd45f895ebc5f40ef24aa25e58ce7a19f4df5e4d9","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-19T04:47:02Z","title_canon_sha256":"4594585270eeef0f12adba4727bacda076acd03ef1c95ee7fc0b928280e8d529"},"schema_version":"1.0","source":{"id":"2605.19361","kind":"arxiv","version":1}},"canonical_sha256":"60f760128ece5aa364109a90efdb2b058c4f35b44efed9bb8d63b46fabdbb95c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"60f760128ece5aa364109a90efdb2b058c4f35b44efed9bb8d63b46fabdbb95c","first_computed_at":"2026-05-20T01:05:41.519357Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-20T01:05:41.519357Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"M8Si3kTwRUqIrU569khc2BqIFV95r8IQMA+ln2vD0KJ7RMXTofvH0halgLIHlMJTd48iTYHYG1HvkvNkyYpuDw==","signature_status":"signed_v1","signed_at":"2026-05-20T01:05:41.520020Z","signed_message":"canonical_sha256_bytes"},"source_id":"2605.19361","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:b50adbc4f7879b172897044b8acc52a8999ccd193369ec224042749401d3225a","sha256:b629b3aca4559b5570550ed43ebd0386cfd0153c85bf3d10cb91bff7bc4100b3"],"state_sha256":"ab43a4cc1e2de6e7619cd7be89a46625eed9123830af9ff9bad87ada95dfe33f"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"W6hmZOE/eYNoojfZqnRMmDixvV+wYRc3GfXrCM5AYoFH5iUQYH0h0rg1FjYnQdtksCja7+SfCF9gxauy07ouCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-02T18:56:39.579712Z","bundle_sha256":"89b0056276a576e2dd0674c08728dc3e314840e2a0afdd4237cfac1a81f7f9ae"}}