{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2006:SHER3W4JBRZZHF6KSJVSW5TDNL","short_pith_number":"pith:SHER3W4J","canonical_record":{"source":{"id":"cond-mat/0609483","kind":"arxiv","version":1},"metadata":{"license":"","primary_cat":"cond-mat.mes-hall","submitted_at":"2006-09-19T20:08:30Z","cross_cats_sorted":[],"title_canon_sha256":"232337a0a48cde615ed23caa97078698e5a5aeed1a953543be60f4aa5a48bf6e","abstract_canon_sha256":"9c6542992608f42053531ae8c9761eb57e1604cab60fe4a65e3aa0a9e74c65d8"},"schema_version":"1.0"},"canonical_sha256":"91c91ddb890c739397ca926b2b76636add6d7f4fc9b9256fe22f906a12119bd8","source":{"kind":"arxiv","id":"cond-mat/0609483","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0609483","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0609483v1","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0609483","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"pith_short_12","alias_value":"SHER3W4JBRZZ","created_at":"2026-05-18T12:25:54Z"},{"alias_kind":"pith_short_16","alias_value":"SHER3W4JBRZZHF6K","created_at":"2026-05-18T12:25:54Z"},{"alias_kind":"pith_short_8","alias_value":"SHER3W4J","created_at":"2026-05-18T12:25:54Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2006:SHER3W4JBRZZHF6KSJVSW5TDNL","target":"record","payload":{"canonical_record":{"source":{"id":"cond-mat/0609483","kind":"arxiv","version":1},"metadata":{"license":"","primary_cat":"cond-mat.mes-hall","submitted_at":"2006-09-19T20:08:30Z","cross_cats_sorted":[],"title_canon_sha256":"232337a0a48cde615ed23caa97078698e5a5aeed1a953543be60f4aa5a48bf6e","abstract_canon_sha256":"9c6542992608f42053531ae8c9761eb57e1604cab60fe4a65e3aa0a9e74c65d8"},"schema_version":"1.0"},"canonical_sha256":"91c91ddb890c739397ca926b2b76636add6d7f4fc9b9256fe22f906a12119bd8","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:39:43.194196Z","signature_b64":"L4cgg/XaCgqClHEuK5zwbEujsPUt27v03yfmdkRnRYiT7Qyr3+mL7BJtvky6Dpp706q09WNiGO95tFl91UHYCg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"91c91ddb890c739397ca926b2b76636add6d7f4fc9b9256fe22f906a12119bd8","last_reissued_at":"2026-05-18T01:39:43.193331Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:39:43.193331Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"cond-mat/0609483","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":"2026-05-18T01:39:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"JSDi54v07TDibLubAea56Qqk2S8R8DblhTsK7iT2EO2OJxTtNqAZHPTX2OiIrc4vqsGgMjWrUn7pSJuDqMaJCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-07T17:47:10.948246Z"},"content_sha256":"1619671793adfa887e049690045279d06142c2b360fb0d09ed324900d88cd5f4","schema_version":"1.0","event_id":"sha256:1619671793adfa887e049690045279d06142c2b360fb0d09ed324900d88cd5f4"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2006:SHER3W4JBRZZHF6KSJVSW5TDNL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Current-Voltage Curves for Molecular Junctions Computed Using All-Electron Basis Sets","license":"","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"Charles W. Bauschlicher, John W. Lawson, Jr.","submitted_at":"2006-09-19T20:08:30Z","abstract_excerpt":"We present current-voltage (I-V) curves computed using all-electron basis sets on the conducting molecule. The all-electron results are very similar to previous results obtained using effective core potentials (ECP). A hybrid integration scheme is used that keeps the all-electron calculations cost competitive with respect to the ECP calculations. By neglecting the coupling of states to the contacts below a fixed energy cutoff, the density matrix for the core electrons can be evaluated analytically. The full density matrix is formed by adding this core contribution to the valence part that is e"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0609483","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":"2026-05-18T01:39:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"A4LmNkVmkW8DopPeBEYWFXPHj0oSb3d5x1lbrsfxlVl1ePbnVutOuyItqGiaBycKw95eJTKBHWh2fDefySh5Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-07T17:47:10.948965Z"},"content_sha256":"0bf3a6b42db6fba90d43dae6160d60a568f0791dc4a523deb6176c82f572bf23","schema_version":"1.0","event_id":"sha256:0bf3a6b42db6fba90d43dae6160d60a568f0791dc4a523deb6176c82f572bf23"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/bundle.json","state_url":"https://pith.science/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/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":"2026-06-07T17:47:10Z","links":{"resolver":"https://pith.science/pith/SHER3W4JBRZZHF6KSJVSW5TDNL","bundle":"https://pith.science/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/bundle.json","state":"https://pith.science/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/SHER3W4JBRZZHF6KSJVSW5TDNL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2006:SHER3W4JBRZZHF6KSJVSW5TDNL","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":"9c6542992608f42053531ae8c9761eb57e1604cab60fe4a65e3aa0a9e74c65d8","cross_cats_sorted":[],"license":"","primary_cat":"cond-mat.mes-hall","submitted_at":"2006-09-19T20:08:30Z","title_canon_sha256":"232337a0a48cde615ed23caa97078698e5a5aeed1a953543be60f4aa5a48bf6e"},"schema_version":"1.0","source":{"id":"cond-mat/0609483","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"cond-mat/0609483","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"arxiv_version","alias_value":"cond-mat/0609483v1","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.cond-mat/0609483","created_at":"2026-05-18T01:39:43Z"},{"alias_kind":"pith_short_12","alias_value":"SHER3W4JBRZZ","created_at":"2026-05-18T12:25:54Z"},{"alias_kind":"pith_short_16","alias_value":"SHER3W4JBRZZHF6K","created_at":"2026-05-18T12:25:54Z"},{"alias_kind":"pith_short_8","alias_value":"SHER3W4J","created_at":"2026-05-18T12:25:54Z"}],"graph_snapshots":[{"event_id":"sha256:0bf3a6b42db6fba90d43dae6160d60a568f0791dc4a523deb6176c82f572bf23","target":"graph","created_at":"2026-05-18T01:39:43Z","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":"We present current-voltage (I-V) curves computed using all-electron basis sets on the conducting molecule. The all-electron results are very similar to previous results obtained using effective core potentials (ECP). A hybrid integration scheme is used that keeps the all-electron calculations cost competitive with respect to the ECP calculations. By neglecting the coupling of states to the contacts below a fixed energy cutoff, the density matrix for the core electrons can be evaluated analytically. The full density matrix is formed by adding this core contribution to the valence part that is e","authors_text":"Charles W. Bauschlicher, John W. Lawson, Jr.","cross_cats":[],"headline":"","license":"","primary_cat":"cond-mat.mes-hall","submitted_at":"2006-09-19T20:08:30Z","title":"Current-Voltage Curves for Molecular Junctions Computed Using All-Electron Basis Sets"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0609483","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":"sha256:1619671793adfa887e049690045279d06142c2b360fb0d09ed324900d88cd5f4","target":"record","created_at":"2026-05-18T01:39:43Z","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":"9c6542992608f42053531ae8c9761eb57e1604cab60fe4a65e3aa0a9e74c65d8","cross_cats_sorted":[],"license":"","primary_cat":"cond-mat.mes-hall","submitted_at":"2006-09-19T20:08:30Z","title_canon_sha256":"232337a0a48cde615ed23caa97078698e5a5aeed1a953543be60f4aa5a48bf6e"},"schema_version":"1.0","source":{"id":"cond-mat/0609483","kind":"arxiv","version":1}},"canonical_sha256":"91c91ddb890c739397ca926b2b76636add6d7f4fc9b9256fe22f906a12119bd8","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"91c91ddb890c739397ca926b2b76636add6d7f4fc9b9256fe22f906a12119bd8","first_computed_at":"2026-05-18T01:39:43.193331Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:39:43.193331Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"L4cgg/XaCgqClHEuK5zwbEujsPUt27v03yfmdkRnRYiT7Qyr3+mL7BJtvky6Dpp706q09WNiGO95tFl91UHYCg==","signature_status":"signed_v1","signed_at":"2026-05-18T01:39:43.194196Z","signed_message":"canonical_sha256_bytes"},"source_id":"cond-mat/0609483","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:1619671793adfa887e049690045279d06142c2b360fb0d09ed324900d88cd5f4","sha256:0bf3a6b42db6fba90d43dae6160d60a568f0791dc4a523deb6176c82f572bf23"],"state_sha256":"c77e08af259853efa5a03bf7c4163cc86ea44013fa6afafff7e05ea3feee8757"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ZnO0i2XOEN6y4jnMwUzDHbhorWBYVKfNOvKaYcnoVpBFZzamD1LbXRHACossUx7t3+jpp+00RdmlACjtW4AUDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-07T17:47:10.952150Z","bundle_sha256":"e76167ebe15bf184e414d6cc8454cfdfe3966ddfcdc371af1868f49d3b417db6"}}