{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2011:WM35Z45BEJL6WLFZFHIXV7WBLS","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":"b85970b789bf19adb33e0b34de4d18f1e6b8a1fe18c6814dd6ca362db16a1ebb","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.other","submitted_at":"2011-02-19T21:31:40Z","title_canon_sha256":"4de15582e9319f7761b526cc5fe4a36031803bb88708ede91328a1b373ce5d59"},"schema_version":"1.0","source":{"id":"1102.4028","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1102.4028","created_at":"2026-05-18T04:16:53Z"},{"alias_kind":"arxiv_version","alias_value":"1102.4028v1","created_at":"2026-05-18T04:16:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1102.4028","created_at":"2026-05-18T04:16:53Z"},{"alias_kind":"pith_short_12","alias_value":"WM35Z45BEJL6","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_16","alias_value":"WM35Z45BEJL6WLFZ","created_at":"2026-05-18T12:26:44Z"},{"alias_kind":"pith_short_8","alias_value":"WM35Z45B","created_at":"2026-05-18T12:26:44Z"}],"graph_snapshots":[{"event_id":"sha256:79f9c8b6994dd6e01494409e6ed1643aed908ba03a92e8baff1a922fdc8417d5","target":"graph","created_at":"2026-05-18T04:16:53Z","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":"Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)] to calculate the large contributions of the non-additive kinetic potential (NAKP) in such applications. Potential energy curves are computed for the dissociation of Li+-Be, CH3-CF3, and hydrogen-bonded water clusters, and e-DFT results obtained using the EE method are compared with those obtained using approximate kinetic energy functionals. In all cases, t","authors_text":"Jason D. Goodpaster, Taylor A. Barnes, Thomas F. Miller III","cross_cats":["physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.other","submitted_at":"2011-02-19T21:31:40Z","title":"Embedded density functional theory for covalently bonded and strongly interacting subsystems"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1102.4028","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":"sha256:2b64c9a3e7ecc5ddd71328ed29c35eb3c1c918afca72ef1e053d835d8e92f7d4","target":"record","created_at":"2026-05-18T04:16:53Z","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":"b85970b789bf19adb33e0b34de4d18f1e6b8a1fe18c6814dd6ca362db16a1ebb","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.other","submitted_at":"2011-02-19T21:31:40Z","title_canon_sha256":"4de15582e9319f7761b526cc5fe4a36031803bb88708ede91328a1b373ce5d59"},"schema_version":"1.0","source":{"id":"1102.4028","kind":"arxiv","version":1}},"canonical_sha256":"b337dcf3a12257eb2cb929d17afec15cbc58baac11199e86902fb36ea06df7a1","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"b337dcf3a12257eb2cb929d17afec15cbc58baac11199e86902fb36ea06df7a1","first_computed_at":"2026-05-18T04:16:53.450173Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T04:16:53.450173Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"yZR1M+hyKwKJBjqz8xTa6mzBMv3WCtXDEUP45hCXEOoy82QpO4S3W58nh1bCJcWjbfx9owm/+kI/0ODNlUoPCw==","signature_status":"signed_v1","signed_at":"2026-05-18T04:16:53.450976Z","signed_message":"canonical_sha256_bytes"},"source_id":"1102.4028","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:2b64c9a3e7ecc5ddd71328ed29c35eb3c1c918afca72ef1e053d835d8e92f7d4","sha256:79f9c8b6994dd6e01494409e6ed1643aed908ba03a92e8baff1a922fdc8417d5"],"state_sha256":"a03796bd633621320d68fff86587cc5ac83ea05072f541012f925967588b5459"}