{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2016:VMG7VMHIMHPMW6TWA4QTNPSTX6","short_pith_number":"pith:VMG7VMHI","canonical_record":{"source":{"id":"1606.03227","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-10T08:36:44Z","cross_cats_sorted":[],"title_canon_sha256":"2540844040be246ea117cb668c47678cdd451e33171b001a4cb9e9a8502f546d","abstract_canon_sha256":"d612d9fbf3ba2c659f20db77e16988d4a52fe8ec356d0b90f1f0728f5dc98f14"},"schema_version":"1.0"},"canonical_sha256":"ab0dfab0e861decb7a76072136be53bfb7f5d9c6c5032366b8175648d96c7220","source":{"kind":"arxiv","id":"1606.03227","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1606.03227","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"arxiv_version","alias_value":"1606.03227v1","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1606.03227","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"pith_short_12","alias_value":"VMG7VMHIMHPM","created_at":"2026-05-18T12:30:48Z"},{"alias_kind":"pith_short_16","alias_value":"VMG7VMHIMHPMW6TW","created_at":"2026-05-18T12:30:48Z"},{"alias_kind":"pith_short_8","alias_value":"VMG7VMHI","created_at":"2026-05-18T12:30:48Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2016:VMG7VMHIMHPMW6TWA4QTNPSTX6","target":"record","payload":{"canonical_record":{"source":{"id":"1606.03227","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-10T08:36:44Z","cross_cats_sorted":[],"title_canon_sha256":"2540844040be246ea117cb668c47678cdd451e33171b001a4cb9e9a8502f546d","abstract_canon_sha256":"d612d9fbf3ba2c659f20db77e16988d4a52fe8ec356d0b90f1f0728f5dc98f14"},"schema_version":"1.0"},"canonical_sha256":"ab0dfab0e861decb7a76072136be53bfb7f5d9c6c5032366b8175648d96c7220","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:12:37.315191Z","signature_b64":"QhYoh3EP/dQRXlQWKGhD8rgl+I+ZYWj3HCdTcKgkqOHzW+HoDyyOVrGHIl01p9/+G55SLmM0mLA8AZPBNZa9Dw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"ab0dfab0e861decb7a76072136be53bfb7f5d9c6c5032366b8175648d96c7220","last_reissued_at":"2026-05-18T01:12:37.314840Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:12:37.314840Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1606.03227","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":"2026-05-18T01:12:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"dNW2njUEqeI7yF13OUsoDFbXXZMwyHug6oVzNIRBwWFR2hrRtdtwD+xT3ubkb9kw8fZfPkXi4nVYaShuNLCJCA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T20:44:51.386241Z"},"content_sha256":"7be8d3d66aa378744e1753e725df3b9de658b0c655de39c883abfb3f28e1fdc2","schema_version":"1.0","event_id":"sha256:7be8d3d66aa378744e1753e725df3b9de658b0c655de39c883abfb3f28e1fdc2"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2016:VMG7VMHIMHPMW6TWA4QTNPSTX6","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"First-principles photoemission spectroscopy of DNA and RNA nucleobases from Koopmans-compliant functionals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Andrea Ferretti, Giovanni Borghi, Ngoc Linh Nguyen, Nicola Marzari","submitted_at":"2016-06-10T08:36:44Z","abstract_excerpt":"The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques able to accurately predict spectral properties. In this work we employ Koopmans-compliant functionals, constructed to enforce piecewise linearity in approximate density functionals, to calculate the structural and electronic properties of DNA and RNA nucleobases. Our results show that not only ionization potentials and electron affinities are accurately predicted with mean absolute errors < 0.1 eV, but also that calculated photoemission spectra are in excellent agreement with e"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1606.03227","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":"2026-05-18T01:12:37Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"x4U7/EelIAj9uuV0IKyjJiJwRA6sVmBL1XsSAqhUox8I3pElz7yeaYmpxVcQxOe5yNz+cKWWt305YeiIUwNCDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T20:44:51.386866Z"},"content_sha256":"270b48948b5b4a642a4cc19a736f3d82d3eb528ada89ad5e217998d38a324949","schema_version":"1.0","event_id":"sha256:270b48948b5b4a642a4cc19a736f3d82d3eb528ada89ad5e217998d38a324949"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/bundle.json","state_url":"https://pith.science/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/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":"2026-05-27T20:44:51Z","links":{"resolver":"https://pith.science/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6","bundle":"https://pith.science/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/bundle.json","state":"https://pith.science/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VMG7VMHIMHPMW6TWA4QTNPSTX6/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:VMG7VMHIMHPMW6TWA4QTNPSTX6","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":"d612d9fbf3ba2c659f20db77e16988d4a52fe8ec356d0b90f1f0728f5dc98f14","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-10T08:36:44Z","title_canon_sha256":"2540844040be246ea117cb668c47678cdd451e33171b001a4cb9e9a8502f546d"},"schema_version":"1.0","source":{"id":"1606.03227","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1606.03227","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"arxiv_version","alias_value":"1606.03227v1","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1606.03227","created_at":"2026-05-18T01:12:37Z"},{"alias_kind":"pith_short_12","alias_value":"VMG7VMHIMHPM","created_at":"2026-05-18T12:30:48Z"},{"alias_kind":"pith_short_16","alias_value":"VMG7VMHIMHPMW6TW","created_at":"2026-05-18T12:30:48Z"},{"alias_kind":"pith_short_8","alias_value":"VMG7VMHI","created_at":"2026-05-18T12:30:48Z"}],"graph_snapshots":[{"event_id":"sha256:270b48948b5b4a642a4cc19a736f3d82d3eb528ada89ad5e217998d38a324949","target":"graph","created_at":"2026-05-18T01:12:37Z","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":"The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques able to accurately predict spectral properties. In this work we employ Koopmans-compliant functionals, constructed to enforce piecewise linearity in approximate density functionals, to calculate the structural and electronic properties of DNA and RNA nucleobases. Our results show that not only ionization potentials and electron affinities are accurately predicted with mean absolute errors < 0.1 eV, but also that calculated photoemission spectra are in excellent agreement with e","authors_text":"Andrea Ferretti, Giovanni Borghi, Ngoc Linh Nguyen, Nicola Marzari","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-10T08:36:44Z","title":"First-principles photoemission spectroscopy of DNA and RNA nucleobases from Koopmans-compliant functionals"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1606.03227","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":"sha256:7be8d3d66aa378744e1753e725df3b9de658b0c655de39c883abfb3f28e1fdc2","target":"record","created_at":"2026-05-18T01:12:37Z","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":"d612d9fbf3ba2c659f20db77e16988d4a52fe8ec356d0b90f1f0728f5dc98f14","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-06-10T08:36:44Z","title_canon_sha256":"2540844040be246ea117cb668c47678cdd451e33171b001a4cb9e9a8502f546d"},"schema_version":"1.0","source":{"id":"1606.03227","kind":"arxiv","version":1}},"canonical_sha256":"ab0dfab0e861decb7a76072136be53bfb7f5d9c6c5032366b8175648d96c7220","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"ab0dfab0e861decb7a76072136be53bfb7f5d9c6c5032366b8175648d96c7220","first_computed_at":"2026-05-18T01:12:37.314840Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:12:37.314840Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"QhYoh3EP/dQRXlQWKGhD8rgl+I+ZYWj3HCdTcKgkqOHzW+HoDyyOVrGHIl01p9/+G55SLmM0mLA8AZPBNZa9Dw==","signature_status":"signed_v1","signed_at":"2026-05-18T01:12:37.315191Z","signed_message":"canonical_sha256_bytes"},"source_id":"1606.03227","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7be8d3d66aa378744e1753e725df3b9de658b0c655de39c883abfb3f28e1fdc2","sha256:270b48948b5b4a642a4cc19a736f3d82d3eb528ada89ad5e217998d38a324949"],"state_sha256":"a9d20e7104768976ade98743ef30e91dd212a15ed71e724ab680025868945835"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"w3Gr4qC9zmOIzHiCBgI/rm4B5tqBEJxS61lJ0QYLqru5GYI3UmOuIqb+wsCXtPVdAg2SDi4A94fpSyjp8nO6Bw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T20:44:51.390291Z","bundle_sha256":"47dca95852599173f561b368459459935161527b9d0cf6afbc40f19a606d3623"}}