{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:XM25HLNNAW5ZGEMM2I5G56JDU6","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":"cf69cb431849ad0a80b3004b3ca6f5dbcb05efabc2e19ccf2d6f490c9f0da7fc","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-03-28T17:16:04Z","title_canon_sha256":"671e9e34b2c6a9ecd6c1c5a829c330a2da537f99ec3145ede6671e06ff381eea"},"schema_version":"1.0","source":{"id":"1603.08443","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1603.08443","created_at":"2026-05-18T00:56:37Z"},{"alias_kind":"arxiv_version","alias_value":"1603.08443v2","created_at":"2026-05-18T00:56:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1603.08443","created_at":"2026-05-18T00:56:37Z"},{"alias_kind":"pith_short_12","alias_value":"XM25HLNNAW5Z","created_at":"2026-05-18T12:30:51Z"},{"alias_kind":"pith_short_16","alias_value":"XM25HLNNAW5ZGEMM","created_at":"2026-05-18T12:30:51Z"},{"alias_kind":"pith_short_8","alias_value":"XM25HLNN","created_at":"2026-05-18T12:30:51Z"}],"graph_snapshots":[{"event_id":"sha256:584b3d3a8ce37501953147f1e76b4df83e15c621caa64e1e622ba941ccc483ce","target":"graph","created_at":"2026-05-18T00:56:37Z","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":"Density matrix embedding theory (DMET) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. We also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample S$_{\\text{N}}$2 reactio","authors_text":"Carlos A. Jim\\'enez-Hoyos, Garnet Kin-Lic Chan, Qiming Sun, Sebastian Wouters","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-03-28T17:16:04Z","title":"A practical guide to density matrix embedding theory in quantum chemistry"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1603.08443","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":"sha256:6bcdbf1837fb10c1a9e5c1cbd81e8b3f2aae629b3fadd2f840993473748b4cac","target":"record","created_at":"2026-05-18T00:56:37Z","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":"cf69cb431849ad0a80b3004b3ca6f5dbcb05efabc2e19ccf2d6f490c9f0da7fc","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-03-28T17:16:04Z","title_canon_sha256":"671e9e34b2c6a9ecd6c1c5a829c330a2da537f99ec3145ede6671e06ff381eea"},"schema_version":"1.0","source":{"id":"1603.08443","kind":"arxiv","version":2}},"canonical_sha256":"bb35d3adad05bb93118cd23a6ef923a79a7986565c28c1fe0ea4002b7a535ad7","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"bb35d3adad05bb93118cd23a6ef923a79a7986565c28c1fe0ea4002b7a535ad7","first_computed_at":"2026-05-18T00:56:37.923837Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:56:37.923837Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"CPpLO+n9YFPMtMOnnDRCxx5jr+qhryyUGiL/ZMHrlAyp0FCKXA9K6Wdyw4o5hJMampjzFbR8G8uboHBzrjwYAQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:56:37.924528Z","signed_message":"canonical_sha256_bytes"},"source_id":"1603.08443","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:6bcdbf1837fb10c1a9e5c1cbd81e8b3f2aae629b3fadd2f840993473748b4cac","sha256:584b3d3a8ce37501953147f1e76b4df83e15c621caa64e1e622ba941ccc483ce"],"state_sha256":"c9fe4436a7c9b0793ad8f31d314a403294ced038025293c57cc7fce670ab5272"}