{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2016:2JRCKHRJ3VUVPDTGMUIEIVZTMZ","short_pith_number":"pith:2JRCKHRJ","canonical_record":{"source":{"id":"1610.08423","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-10-26T17:00:16Z","cross_cats_sorted":[],"title_canon_sha256":"3d67ce4c9c19b22e5c9f592f746bd53ea79394645a5f5f9d79d9be0ec59ca7cd","abstract_canon_sha256":"20615ecc02319f57a2f85c7758990f8510762e9db88c24aa46a0edd364a69d69"},"schema_version":"1.0"},"canonical_sha256":"d262251e29dd69578e666510445733665fcad3c158dd906c75bbff9c87cf5a3e","source":{"kind":"arxiv","id":"1610.08423","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1610.08423","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"arxiv_version","alias_value":"1610.08423v2","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1610.08423","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"pith_short_12","alias_value":"2JRCKHRJ3VUV","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_16","alias_value":"2JRCKHRJ3VUVPDTG","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_8","alias_value":"2JRCKHRJ","created_at":"2026-05-18T12:29:55Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2016:2JRCKHRJ3VUVPDTGMUIEIVZTMZ","target":"record","payload":{"canonical_record":{"source":{"id":"1610.08423","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-10-26T17:00:16Z","cross_cats_sorted":[],"title_canon_sha256":"3d67ce4c9c19b22e5c9f592f746bd53ea79394645a5f5f9d79d9be0ec59ca7cd","abstract_canon_sha256":"20615ecc02319f57a2f85c7758990f8510762e9db88c24aa46a0edd364a69d69"},"schema_version":"1.0"},"canonical_sha256":"d262251e29dd69578e666510445733665fcad3c158dd906c75bbff9c87cf5a3e","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:53:07.054699Z","signature_b64":"/4Rn2tyAd9lvuq+wFhC/qW+BNbY0gdFmx2Fhe/z05OrItWLVSVEx6nvBZKPE5TL0R0gvkSugBDAa/Ly7mq23Dg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d262251e29dd69578e666510445733665fcad3c158dd906c75bbff9c87cf5a3e","last_reissued_at":"2026-05-18T00:53:07.054294Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:53:07.054294Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1610.08423","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T00:53:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"C9SgaeAUvxiJT9NHQ1NH4MIwrMlm8SjKWxKF9pO0Td0mXLUXYW+l4hlzlRF6pIt8gZgmH8CshCryPI7tyI2OAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-08T22:02:14.164152Z"},"content_sha256":"204f82a317430a0a93d276031e680257cad7889c0540b7a088d761593f982085","schema_version":"1.0","event_id":"sha256:204f82a317430a0a93d276031e680257cad7889c0540b7a088d761593f982085"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2016:2JRCKHRJ3VUVPDTGMUIEIVZTMZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Co-iterative augmented Hessian method for orbital optimization","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Qiming Sun","submitted_at":"2016-10-26T17:00:16Z","abstract_excerpt":"Orbital optimization procedure is widely called in electronic structure simulation. To efficiently find the orbital optimization solution, we developed a new second order orbital optimization algorithm, co-iteration augmented Hessian (CIAH) method. In this method, the orbital optimization is embedded in the diagonalization procedure for augmented Hessian (AH) eigenvalue equation. Approximations for Hessian matrix can be easily employed in this method to improve the computational costs. We numerically performed the CIAH algorithm with SCF convergence of 20 challenging systems and Boys localizat"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1610.08423","kind":"arxiv","version":2},"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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T00:53:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"INCXPmoCahZarIN1tB9RbEgJq4ld9BFdog0vyrJSf9nDDauVbvQyVaBl8iz0dRt8AhfVNJlYIb5v6/EddD6ABw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-08T22:02:14.164978Z"},"content_sha256":"16d5e6877dda52641d091786a0bb02008c8b717adf772258ad00544df4024f20","schema_version":"1.0","event_id":"sha256:16d5e6877dda52641d091786a0bb02008c8b717adf772258ad00544df4024f20"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/bundle.json","state_url":"https://pith.science/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/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":"2026-08-08T22:02:14Z","links":{"resolver":"https://pith.science/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ","bundle":"https://pith.science/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/bundle.json","state":"https://pith.science/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/2JRCKHRJ3VUVPDTGMUIEIVZTMZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:2JRCKHRJ3VUVPDTGMUIEIVZTMZ","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":"20615ecc02319f57a2f85c7758990f8510762e9db88c24aa46a0edd364a69d69","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-10-26T17:00:16Z","title_canon_sha256":"3d67ce4c9c19b22e5c9f592f746bd53ea79394645a5f5f9d79d9be0ec59ca7cd"},"schema_version":"1.0","source":{"id":"1610.08423","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1610.08423","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"arxiv_version","alias_value":"1610.08423v2","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1610.08423","created_at":"2026-05-18T00:53:07Z"},{"alias_kind":"pith_short_12","alias_value":"2JRCKHRJ3VUV","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_16","alias_value":"2JRCKHRJ3VUVPDTG","created_at":"2026-05-18T12:29:55Z"},{"alias_kind":"pith_short_8","alias_value":"2JRCKHRJ","created_at":"2026-05-18T12:29:55Z"}],"graph_snapshots":[{"event_id":"sha256:16d5e6877dda52641d091786a0bb02008c8b717adf772258ad00544df4024f20","target":"graph","created_at":"2026-05-18T00:53:07Z","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"},"paper":{"abstract_excerpt":"Orbital optimization procedure is widely called in electronic structure simulation. To efficiently find the orbital optimization solution, we developed a new second order orbital optimization algorithm, co-iteration augmented Hessian (CIAH) method. In this method, the orbital optimization is embedded in the diagonalization procedure for augmented Hessian (AH) eigenvalue equation. Approximations for Hessian matrix can be easily employed in this method to improve the computational costs. We numerically performed the CIAH algorithm with SCF convergence of 20 challenging systems and Boys localizat","authors_text":"Qiming Sun","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-10-26T17:00:16Z","title":"Co-iterative augmented Hessian method for orbital optimization"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1610.08423","kind":"arxiv","version":2},"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":"sha256:204f82a317430a0a93d276031e680257cad7889c0540b7a088d761593f982085","target":"record","created_at":"2026-05-18T00:53:07Z","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":"20615ecc02319f57a2f85c7758990f8510762e9db88c24aa46a0edd364a69d69","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-10-26T17:00:16Z","title_canon_sha256":"3d67ce4c9c19b22e5c9f592f746bd53ea79394645a5f5f9d79d9be0ec59ca7cd"},"schema_version":"1.0","source":{"id":"1610.08423","kind":"arxiv","version":2}},"canonical_sha256":"d262251e29dd69578e666510445733665fcad3c158dd906c75bbff9c87cf5a3e","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d262251e29dd69578e666510445733665fcad3c158dd906c75bbff9c87cf5a3e","first_computed_at":"2026-05-18T00:53:07.054294Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:53:07.054294Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"/4Rn2tyAd9lvuq+wFhC/qW+BNbY0gdFmx2Fhe/z05OrItWLVSVEx6nvBZKPE5TL0R0gvkSugBDAa/Ly7mq23Dg==","signature_status":"signed_v1","signed_at":"2026-05-18T00:53:07.054699Z","signed_message":"canonical_sha256_bytes"},"source_id":"1610.08423","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:204f82a317430a0a93d276031e680257cad7889c0540b7a088d761593f982085","sha256:16d5e6877dda52641d091786a0bb02008c8b717adf772258ad00544df4024f20"],"state_sha256":"900185b1f8b5c58d1ac82dbf5759d95957f03073d8dd112367caaf0d430f6179"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Oht/hlOwFghDiZ3L68nkRjzeZUNZ2UypCUvj+pIFKUWK2lgWsV6x5NJa1evAYK9g3Um9WcQ36SJzAfdU0SCEAA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-08T22:02:14.170023Z","bundle_sha256":"651c9ad92ebb90e2c92a77c9c323c185541015efc453a9b983aa3927c55c660b"}}