{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:QWRZYJN3FOKA5CMNVN7QNWE6XP","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":"9b04b127504c4f1360850bf102cb506609fa0730d4aef6ddda3244f99086e81b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2017-03-24T11:46:05Z","title_canon_sha256":"853d6a10e069f8e1df02b17ed92b50422f8ae6ef6c8e1dfa07b4914c3f152e09"},"schema_version":"1.0","source":{"id":"1703.08372","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1703.08372","created_at":"2026-05-18T00:36:38Z"},{"alias_kind":"arxiv_version","alias_value":"1703.08372v2","created_at":"2026-05-18T00:36:38Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1703.08372","created_at":"2026-05-18T00:36:38Z"},{"alias_kind":"pith_short_12","alias_value":"QWRZYJN3FOKA","created_at":"2026-05-18T12:31:39Z"},{"alias_kind":"pith_short_16","alias_value":"QWRZYJN3FOKA5CMN","created_at":"2026-05-18T12:31:39Z"},{"alias_kind":"pith_short_8","alias_value":"QWRZYJN3","created_at":"2026-05-18T12:31:39Z"}],"graph_snapshots":[{"event_id":"sha256:cc9f3f1ccfcf6a0993f3716c6ca55c4e3f3e759bd65ba6935eaed538f7433bdb","target":"graph","created_at":"2026-05-18T00:36:38Z","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 a simplified density functional theory (DFT) method to com- pute vertical electron and hole attachment energies to frontier orbitals of molecules absorbed on insulating films supported by a metal substrate. The adsorbate and the film is treated fully within DFT, whereas the metal is treated implicitly by a perfect conductor model. As illustrated for a pentacene molecule adsorbed on NaCl films sup- ported by a Cu substrate, we find that the computed energy gap between the highest and lowest occupied molecular orbitals - HOMO and LUMO -from the vertical attach- ment energies increases","authors_text":"Ivan Scivetti, Mats Persson","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2017-03-24T11:46:05Z","title":"Frontier molecular orbitals of single molecules adsorbed on thin insulating films supported by a metal substrate: A simplified density functional theory approach"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.08372","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":"sha256:2827db6fc28f067d741d9823aa497142b5a9e212196b77d2048c6a5d21e44b30","target":"record","created_at":"2026-05-18T00:36:38Z","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":"9b04b127504c4f1360850bf102cb506609fa0730d4aef6ddda3244f99086e81b","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2017-03-24T11:46:05Z","title_canon_sha256":"853d6a10e069f8e1df02b17ed92b50422f8ae6ef6c8e1dfa07b4914c3f152e09"},"schema_version":"1.0","source":{"id":"1703.08372","kind":"arxiv","version":2}},"canonical_sha256":"85a39c25bb2b940e898dab7f06d89ebbe0d5122600abdf6d5befe98a70db1eaf","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"85a39c25bb2b940e898dab7f06d89ebbe0d5122600abdf6d5befe98a70db1eaf","first_computed_at":"2026-05-18T00:36:38.811032Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:36:38.811032Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"mnZk6QtLOWvaOy/iKXQcnOsU7Ov/LqKHOFDaWxBxzDq+9/PiQTYIBADn/Pq/Gmn8tcfxtHprmTkZhtne3QtyAw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:36:38.811653Z","signed_message":"canonical_sha256_bytes"},"source_id":"1703.08372","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:2827db6fc28f067d741d9823aa497142b5a9e212196b77d2048c6a5d21e44b30","sha256:cc9f3f1ccfcf6a0993f3716c6ca55c4e3f3e759bd65ba6935eaed538f7433bdb"],"state_sha256":"15807753151654a49a40ebfa5ea1770ae366e478bf257ccf367759b068d013f3"}