{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:BBOZ3LSURABUW32RXD26WMPHIL","short_pith_number":"pith:BBOZ3LSU","canonical_record":{"source":{"id":"2501.10907","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-19T00:55:15Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"bc0c07574a998642ecf3c4d9865fbd6db0d7f5c96f0eecbdf5ac6263e58cedd5","abstract_canon_sha256":"f27085d619d4dfaf9197f70676365f72edb7ebd5f76ae6a2b372de235b3c3d08"},"schema_version":"1.0"},"canonical_sha256":"085d9dae5488034b6f51b8f5eb31e742f704632fa224b1d048116410fcae651b","source":{"kind":"arxiv","id":"2501.10907","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.10907","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"arxiv_version","alias_value":"2501.10907v1","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.10907","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_12","alias_value":"BBOZ3LSURABU","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_16","alias_value":"BBOZ3LSURABUW32R","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_8","alias_value":"BBOZ3LSU","created_at":"2026-07-05T10:03:00Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:BBOZ3LSURABUW32RXD26WMPHIL","target":"record","payload":{"canonical_record":{"source":{"id":"2501.10907","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-19T00:55:15Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"bc0c07574a998642ecf3c4d9865fbd6db0d7f5c96f0eecbdf5ac6263e58cedd5","abstract_canon_sha256":"f27085d619d4dfaf9197f70676365f72edb7ebd5f76ae6a2b372de235b3c3d08"},"schema_version":"1.0"},"canonical_sha256":"085d9dae5488034b6f51b8f5eb31e742f704632fa224b1d048116410fcae651b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:03:00.578029Z","signature_b64":"KOFKS973hhej4pi+lk02tJfGIlIoHXCmoEe+6H8alZl9GkcUu9PdDUU9nhhlJarTGHRmOOOhPCFL8bqYaa4qBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"085d9dae5488034b6f51b8f5eb31e742f704632fa224b1d048116410fcae651b","last_reissued_at":"2026-07-05T10:03:00.577572Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:03:00.577572Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2501.10907","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":"2026-07-05T10:03:00Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"AV6ESRIqp2s7WqvIiEe3nZQO1Hp5yzKvhjBkfLsydGoW5DMTZrXNDehKUAQq8TV6LPzRfuaiITFXe4wPGR47Bg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-12T09:26:53.110912Z"},"content_sha256":"9a47bf66f447fd41564b760cacf154b5463f7d748a5c1d77b2ccd08e7de6b465","schema_version":"1.0","event_id":"sha256:9a47bf66f447fd41564b760cacf154b5463f7d748a5c1d77b2ccd08e7de6b465"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:BBOZ3LSURABUW32RXD26WMPHIL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Direct unconstrained optimization of excited states in density functional theory","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Hanh D. M. Pham, Rustam Z. Khaliullin","submitted_at":"2025-01-19T00:55:15Z","abstract_excerpt":"Orbital-optimized density functional theory (DFT) has emerged as an alternative to time-dependent (TD) DFT capable of describing difficult excited states with significant electron density redistribution, such as charge-transfer, Rydberg, and double-electron excitations. Here, a simple method is developed to solve the main problem of the excited-state optimization -- the variational collapse of the excited states onto the ground state. In this method, called variable-metric time-independent DFT (VM TIDFT), the electronic states are allowed to be nonorthogonal during the optimization but their o"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.10907","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/2501.10907/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":"2026-07-05T10:03:00Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"wQoMEJN+JWuiKdNG0kiCwO7jotbriXniaTBogB78VFdrtMAih+wxABoGuUmW+d05xbRzrzWd6+gk0kiqim3DCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-12T09:26:53.111427Z"},"content_sha256":"9c2988c8fae331df609c251ea49519df5f9319a16ee94eb2df04d6ce75dbba9c","schema_version":"1.0","event_id":"sha256:9c2988c8fae331df609c251ea49519df5f9319a16ee94eb2df04d6ce75dbba9c"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/BBOZ3LSURABUW32RXD26WMPHIL/bundle.json","state_url":"https://pith.science/pith/BBOZ3LSURABUW32RXD26WMPHIL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/BBOZ3LSURABUW32RXD26WMPHIL/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":"2026-08-12T09:26:53Z","links":{"resolver":"https://pith.science/pith/BBOZ3LSURABUW32RXD26WMPHIL","bundle":"https://pith.science/pith/BBOZ3LSURABUW32RXD26WMPHIL/bundle.json","state":"https://pith.science/pith/BBOZ3LSURABUW32RXD26WMPHIL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/BBOZ3LSURABUW32RXD26WMPHIL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:BBOZ3LSURABUW32RXD26WMPHIL","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":"f27085d619d4dfaf9197f70676365f72edb7ebd5f76ae6a2b372de235b3c3d08","cross_cats_sorted":["physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-19T00:55:15Z","title_canon_sha256":"bc0c07574a998642ecf3c4d9865fbd6db0d7f5c96f0eecbdf5ac6263e58cedd5"},"schema_version":"1.0","source":{"id":"2501.10907","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2501.10907","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"arxiv_version","alias_value":"2501.10907v1","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.10907","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_12","alias_value":"BBOZ3LSURABU","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_16","alias_value":"BBOZ3LSURABUW32R","created_at":"2026-07-05T10:03:00Z"},{"alias_kind":"pith_short_8","alias_value":"BBOZ3LSU","created_at":"2026-07-05T10:03:00Z"}],"graph_snapshots":[{"event_id":"sha256:9c2988c8fae331df609c251ea49519df5f9319a16ee94eb2df04d6ce75dbba9c","target":"graph","created_at":"2026-07-05T10:03:00Z","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/2501.10907/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Orbital-optimized density functional theory (DFT) has emerged as an alternative to time-dependent (TD) DFT capable of describing difficult excited states with significant electron density redistribution, such as charge-transfer, Rydberg, and double-electron excitations. Here, a simple method is developed to solve the main problem of the excited-state optimization -- the variational collapse of the excited states onto the ground state. In this method, called variable-metric time-independent DFT (VM TIDFT), the electronic states are allowed to be nonorthogonal during the optimization but their o","authors_text":"Hanh D. M. Pham, Rustam Z. Khaliullin","cross_cats":["physics.comp-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-19T00:55:15Z","title":"Direct unconstrained optimization of excited states in density functional theory"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.10907","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":"sha256:9a47bf66f447fd41564b760cacf154b5463f7d748a5c1d77b2ccd08e7de6b465","target":"record","created_at":"2026-07-05T10:03:00Z","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":"f27085d619d4dfaf9197f70676365f72edb7ebd5f76ae6a2b372de235b3c3d08","cross_cats_sorted":["physics.comp-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-19T00:55:15Z","title_canon_sha256":"bc0c07574a998642ecf3c4d9865fbd6db0d7f5c96f0eecbdf5ac6263e58cedd5"},"schema_version":"1.0","source":{"id":"2501.10907","kind":"arxiv","version":1}},"canonical_sha256":"085d9dae5488034b6f51b8f5eb31e742f704632fa224b1d048116410fcae651b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"085d9dae5488034b6f51b8f5eb31e742f704632fa224b1d048116410fcae651b","first_computed_at":"2026-07-05T10:03:00.577572Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:03:00.577572Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"KOFKS973hhej4pi+lk02tJfGIlIoHXCmoEe+6H8alZl9GkcUu9PdDUU9nhhlJarTGHRmOOOhPCFL8bqYaa4qBw==","signature_status":"signed_v1","signed_at":"2026-07-05T10:03:00.578029Z","signed_message":"canonical_sha256_bytes"},"source_id":"2501.10907","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:9a47bf66f447fd41564b760cacf154b5463f7d748a5c1d77b2ccd08e7de6b465","sha256:9c2988c8fae331df609c251ea49519df5f9319a16ee94eb2df04d6ce75dbba9c"],"state_sha256":"1c2c68b2739310aa0e165dd3bf18e06c45fb3c28ccab59a9bf4d1f595ec2f186"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"2yBvM+UEN2qOl+5996ttv2Rjz80zDC4UiOcNCQjKBMH69duhGyZQQTlx0UPi5/HMDX/RauVVhq1dGQ/oSkikDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-12T09:26:53.116280Z","bundle_sha256":"f58a91eb3ecd2160b1a21190ade9edf5e213165b4a789d3fe1956ab1b232a42e"}}