{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2015:TPXS5YMX5WXW5GCILE52WMIUTZ","short_pith_number":"pith:TPXS5YMX","canonical_record":{"source":{"id":"1507.00370","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-01T20:41:52Z","cross_cats_sorted":[],"title_canon_sha256":"3bf180a85c490778a3726b9e4cd8fd0d7f8ac3a46fd0e8e7429427679c1129d0","abstract_canon_sha256":"ea6c6ae1e9e54517e51e34c7fc3c8ad8f2e123decf3d11589d05081446ab538a"},"schema_version":"1.0"},"canonical_sha256":"9bef2ee197edaf6e9848593bab31149e4a71899001cd904a2179c1b279745a24","source":{"kind":"arxiv","id":"1507.00370","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1507.00370","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"arxiv_version","alias_value":"1507.00370v1","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1507.00370","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"pith_short_12","alias_value":"TPXS5YMX5WXW","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_16","alias_value":"TPXS5YMX5WXW5GCI","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_8","alias_value":"TPXS5YMX","created_at":"2026-05-18T12:29:42Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2015:TPXS5YMX5WXW5GCILE52WMIUTZ","target":"record","payload":{"canonical_record":{"source":{"id":"1507.00370","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-01T20:41:52Z","cross_cats_sorted":[],"title_canon_sha256":"3bf180a85c490778a3726b9e4cd8fd0d7f8ac3a46fd0e8e7429427679c1129d0","abstract_canon_sha256":"ea6c6ae1e9e54517e51e34c7fc3c8ad8f2e123decf3d11589d05081446ab538a"},"schema_version":"1.0"},"canonical_sha256":"9bef2ee197edaf6e9848593bab31149e4a71899001cd904a2179c1b279745a24","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:31:37.928481Z","signature_b64":"Mj3UhJtCpgzJhNPxTsExcYB50rZQIMLk2veEKT1dmaUmXJvz9AIqL/79L3akDYMIGv8D4zdZtLIeckYfaBlbBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"9bef2ee197edaf6e9848593bab31149e4a71899001cd904a2179c1b279745a24","last_reissued_at":"2026-05-18T01:31:37.927975Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:31:37.927975Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1507.00370","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":"2026-05-18T01:31:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"oACXigVkN0HTOmcuhCxT6KvaZcBD4UYJn6iZR9kavybpHCgkcDYYZlXROabIh4oymSkEglGTNZ4SCdtYgvS7AA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T03:33:02.553991Z"},"content_sha256":"7fc2d1b62d639a746412012b7057932493e456920667c4232c0e7eed3ebb1e94","schema_version":"1.0","event_id":"sha256:7fc2d1b62d639a746412012b7057932493e456920667c4232c0e7eed3ebb1e94"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2015:TPXS5YMX5WXW5GCILE52WMIUTZ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Anders S. Christensen, Marcus Elstner, Qiang Cui","submitted_at":"2015-07-01T20:41:52Z","abstract_excerpt":"Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction ("},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1507.00370","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":"2026-05-18T01:31:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"PlYwETsJnSTewAqUqsXk1SRFw4BczCWpWAiQ1xbFVZjacOOHQ8HPD5xLZM/s03HXunwfjDIewtnivf8RToh8Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T03:33:02.554728Z"},"content_sha256":"96ff3a87b0cc1f833e08e9256fd804dbf8feccd3e6f21c1a3c775099c87c8b64","schema_version":"1.0","event_id":"sha256:96ff3a87b0cc1f833e08e9256fd804dbf8feccd3e6f21c1a3c775099c87c8b64"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/bundle.json","state_url":"https://pith.science/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/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":"2026-05-26T03:33:02Z","links":{"resolver":"https://pith.science/pith/TPXS5YMX5WXW5GCILE52WMIUTZ","bundle":"https://pith.science/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/bundle.json","state":"https://pith.science/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/TPXS5YMX5WXW5GCILE52WMIUTZ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2015:TPXS5YMX5WXW5GCILE52WMIUTZ","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":"ea6c6ae1e9e54517e51e34c7fc3c8ad8f2e123decf3d11589d05081446ab538a","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-01T20:41:52Z","title_canon_sha256":"3bf180a85c490778a3726b9e4cd8fd0d7f8ac3a46fd0e8e7429427679c1129d0"},"schema_version":"1.0","source":{"id":"1507.00370","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1507.00370","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"arxiv_version","alias_value":"1507.00370v1","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1507.00370","created_at":"2026-05-18T01:31:37Z"},{"alias_kind":"pith_short_12","alias_value":"TPXS5YMX5WXW","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_16","alias_value":"TPXS5YMX5WXW5GCI","created_at":"2026-05-18T12:29:42Z"},{"alias_kind":"pith_short_8","alias_value":"TPXS5YMX","created_at":"2026-05-18T12:29:42Z"}],"graph_snapshots":[{"event_id":"sha256:96ff3a87b0cc1f833e08e9256fd804dbf8feccd3e6f21c1a3c775099c87c8b64","target":"graph","created_at":"2026-05-18T01:31:37Z","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":"Semi-empirical quantum mechanical methods traditionally expand the electron density in a minimal, valence-only electron basis set. The minimal-basis approximation causes molecular polarization to be underestimated, and hence intermolecular interaction energies are also underestimated, especially for intermolecular interactions involving charged species. In this work, the third-order self-consistent charge density functional tight-binding method (DFTB3) is augmented with an auxiliary response density using the chemical-potential equalization (CPE) method and an empirical dispersion correction (","authors_text":"Anders S. Christensen, Marcus Elstner, Qiang Cui","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-01T20:41:52Z","title":"Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1507.00370","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":"sha256:7fc2d1b62d639a746412012b7057932493e456920667c4232c0e7eed3ebb1e94","target":"record","created_at":"2026-05-18T01:31:37Z","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":"ea6c6ae1e9e54517e51e34c7fc3c8ad8f2e123decf3d11589d05081446ab538a","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-01T20:41:52Z","title_canon_sha256":"3bf180a85c490778a3726b9e4cd8fd0d7f8ac3a46fd0e8e7429427679c1129d0"},"schema_version":"1.0","source":{"id":"1507.00370","kind":"arxiv","version":1}},"canonical_sha256":"9bef2ee197edaf6e9848593bab31149e4a71899001cd904a2179c1b279745a24","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"9bef2ee197edaf6e9848593bab31149e4a71899001cd904a2179c1b279745a24","first_computed_at":"2026-05-18T01:31:37.927975Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:31:37.927975Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Mj3UhJtCpgzJhNPxTsExcYB50rZQIMLk2veEKT1dmaUmXJvz9AIqL/79L3akDYMIGv8D4zdZtLIeckYfaBlbBg==","signature_status":"signed_v1","signed_at":"2026-05-18T01:31:37.928481Z","signed_message":"canonical_sha256_bytes"},"source_id":"1507.00370","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7fc2d1b62d639a746412012b7057932493e456920667c4232c0e7eed3ebb1e94","sha256:96ff3a87b0cc1f833e08e9256fd804dbf8feccd3e6f21c1a3c775099c87c8b64"],"state_sha256":"38930126f19dbb97826c66163100e118d0f9eceeec89d3c6879fc2aa84a6918d"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"s4A+BV+wNkVcOug7tuvIX6OkAZdWLGBLW7PFHJ2ehyy1mDUfviIT4VuriDWlOudPcchmmnX73WK7+k4SV0OaBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T03:33:02.558356Z","bundle_sha256":"a7d1c7edfc978739e3d1c078d086969e278c865e7b9589fc43052b66a41d3945"}}