{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2014:VBE6AIXCOPRWWOCQQ2CHTZOIXF","short_pith_number":"pith:VBE6AIXC","canonical_record":{"source":{"id":"1410.2641","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2014-10-09T22:19:53Z","cross_cats_sorted":["cond-mat.other"],"title_canon_sha256":"5e96fc349309bca76d686613612fba2055abaecbec2bcdbb75c663e4545834cd","abstract_canon_sha256":"c358b08ba55694bc0487e9d4df843d2211925003ad04868df545e2257d80461a"},"schema_version":"1.0"},"canonical_sha256":"a849e022e273e36b3850868479e5c8b96582211fa4bf7ab09a046daebd89638a","source":{"kind":"arxiv","id":"1410.2641","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1410.2641","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"arxiv_version","alias_value":"1410.2641v1","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1410.2641","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"pith_short_12","alias_value":"VBE6AIXCOPRW","created_at":"2026-05-18T12:28:52Z"},{"alias_kind":"pith_short_16","alias_value":"VBE6AIXCOPRWWOCQ","created_at":"2026-05-18T12:28:52Z"},{"alias_kind":"pith_short_8","alias_value":"VBE6AIXC","created_at":"2026-05-18T12:28:52Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2014:VBE6AIXCOPRWWOCQQ2CHTZOIXF","target":"record","payload":{"canonical_record":{"source":{"id":"1410.2641","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2014-10-09T22:19:53Z","cross_cats_sorted":["cond-mat.other"],"title_canon_sha256":"5e96fc349309bca76d686613612fba2055abaecbec2bcdbb75c663e4545834cd","abstract_canon_sha256":"c358b08ba55694bc0487e9d4df843d2211925003ad04868df545e2257d80461a"},"schema_version":"1.0"},"canonical_sha256":"a849e022e273e36b3850868479e5c8b96582211fa4bf7ab09a046daebd89638a","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:41:49.560588Z","signature_b64":"vwEGqVku0tqHeiiU6bnYDePy1PP/xh5WKqkqx3IcrkJsZouhGT10TOZ0fHgRuAaQTJ8VyW1Zfi7b3GGGCtZ4BA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a849e022e273e36b3850868479e5c8b96582211fa4bf7ab09a046daebd89638a","last_reissued_at":"2026-05-18T01:41:49.559913Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:41:49.559913Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1410.2641","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":"2026-05-18T01:41:49Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8+wmJq2CR8+v6baCO596pmZ0Rhpyls9mD2iz4AzVA95LTOgInu1lgHHS8GBaomOyyVqenydl2OmwQh88hs3wAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T09:23:32.360791Z"},"content_sha256":"d59234fb02ce619dce5898a9c756b0faf970e67073a4fa39d31cf997d4de810e","schema_version":"1.0","event_id":"sha256:d59234fb02ce619dce5898a9c756b0faf970e67073a4fa39d31cf997d4de810e"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2014:VBE6AIXCOPRWWOCQQ2CHTZOIXF","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Qualitative breakdown of the unrestricted Hartree-Fock energy","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other"],"primary_cat":"physics.chem-ph","authors_text":"Aron J. Cohen, Paula Mori-S\\'anchez","submitted_at":"2014-10-09T22:19:53Z","abstract_excerpt":"The stretching of closed-shell molecules is a qualitative problem for restricted Hartree-Fock that is usually circumvented by the use of unrestricted Hartree-Fock (UHF). UHF is well known to break the spin symmetry at the Coulson-Fischer point, leading to a discontinuous derivative in the potential energy surface and incorrect spin density. However, this is generally not considered as a major drawback. In this work, we present a set of two electron molecules which magnify the problem of symmetry breaking and lead to drastically incorrect potential energy surfaces with UHF. These molecules also"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1410.2641","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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T01:41:49Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"+IP6FK1AwpY1JEYrcPKhuVeZxPPSncYfG9WQRfrW3vQJ+bVmZOyw8e1JTNcBRkuLBNNYQpSrCe4bCgbEXHwhBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T09:23:32.361340Z"},"content_sha256":"9b6803d19c147cb5e9412845aab8d32ddea391c3571aee01b9da7b72c7a17a13","schema_version":"1.0","event_id":"sha256:9b6803d19c147cb5e9412845aab8d32ddea391c3571aee01b9da7b72c7a17a13"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/bundle.json","state_url":"https://pith.science/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/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":"2026-05-27T09:23:32Z","links":{"resolver":"https://pith.science/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF","bundle":"https://pith.science/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/bundle.json","state":"https://pith.science/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VBE6AIXCOPRWWOCQQ2CHTZOIXF/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2014:VBE6AIXCOPRWWOCQQ2CHTZOIXF","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":"c358b08ba55694bc0487e9d4df843d2211925003ad04868df545e2257d80461a","cross_cats_sorted":["cond-mat.other"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2014-10-09T22:19:53Z","title_canon_sha256":"5e96fc349309bca76d686613612fba2055abaecbec2bcdbb75c663e4545834cd"},"schema_version":"1.0","source":{"id":"1410.2641","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1410.2641","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"arxiv_version","alias_value":"1410.2641v1","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1410.2641","created_at":"2026-05-18T01:41:49Z"},{"alias_kind":"pith_short_12","alias_value":"VBE6AIXCOPRW","created_at":"2026-05-18T12:28:52Z"},{"alias_kind":"pith_short_16","alias_value":"VBE6AIXCOPRWWOCQ","created_at":"2026-05-18T12:28:52Z"},{"alias_kind":"pith_short_8","alias_value":"VBE6AIXC","created_at":"2026-05-18T12:28:52Z"}],"graph_snapshots":[{"event_id":"sha256:9b6803d19c147cb5e9412845aab8d32ddea391c3571aee01b9da7b72c7a17a13","target":"graph","created_at":"2026-05-18T01:41:49Z","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":"The stretching of closed-shell molecules is a qualitative problem for restricted Hartree-Fock that is usually circumvented by the use of unrestricted Hartree-Fock (UHF). UHF is well known to break the spin symmetry at the Coulson-Fischer point, leading to a discontinuous derivative in the potential energy surface and incorrect spin density. However, this is generally not considered as a major drawback. In this work, we present a set of two electron molecules which magnify the problem of symmetry breaking and lead to drastically incorrect potential energy surfaces with UHF. These molecules also","authors_text":"Aron J. Cohen, Paula Mori-S\\'anchez","cross_cats":["cond-mat.other"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2014-10-09T22:19:53Z","title":"Qualitative breakdown of the unrestricted Hartree-Fock energy"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1410.2641","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:d59234fb02ce619dce5898a9c756b0faf970e67073a4fa39d31cf997d4de810e","target":"record","created_at":"2026-05-18T01:41:49Z","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":"c358b08ba55694bc0487e9d4df843d2211925003ad04868df545e2257d80461a","cross_cats_sorted":["cond-mat.other"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2014-10-09T22:19:53Z","title_canon_sha256":"5e96fc349309bca76d686613612fba2055abaecbec2bcdbb75c663e4545834cd"},"schema_version":"1.0","source":{"id":"1410.2641","kind":"arxiv","version":1}},"canonical_sha256":"a849e022e273e36b3850868479e5c8b96582211fa4bf7ab09a046daebd89638a","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"a849e022e273e36b3850868479e5c8b96582211fa4bf7ab09a046daebd89638a","first_computed_at":"2026-05-18T01:41:49.559913Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:41:49.559913Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"vwEGqVku0tqHeiiU6bnYDePy1PP/xh5WKqkqx3IcrkJsZouhGT10TOZ0fHgRuAaQTJ8VyW1Zfi7b3GGGCtZ4BA==","signature_status":"signed_v1","signed_at":"2026-05-18T01:41:49.560588Z","signed_message":"canonical_sha256_bytes"},"source_id":"1410.2641","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d59234fb02ce619dce5898a9c756b0faf970e67073a4fa39d31cf997d4de810e","sha256:9b6803d19c147cb5e9412845aab8d32ddea391c3571aee01b9da7b72c7a17a13"],"state_sha256":"c37dfb70d15170da5defcb5efb17a7ba6c15c108f404c49c0f4ffb78affaad2f"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"v2mPfHTHr8x//PvnddOATqE5pBeQk3t+d/XaNxFJMcXYukb+bzUMkZ5LAfdtz8IFOj0WERzC6JoVizboQ5kJBw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T09:23:32.363853Z","bundle_sha256":"66de5fa5b5240242fcb54f61fd6b228c26e863b53391eb5dd3b59aa6d4bd1f46"}}