{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:IRCNSUNO7N7L5HIRB7FGYWACSS","short_pith_number":"pith:IRCNSUNO","canonical_record":{"source":{"id":"2203.16020","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-30T02:57:05Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"f85c0d97848d7af2f86d7d507f82e6eafeb98a1247cac8148ebf30a54bfcfc69","abstract_canon_sha256":"b134fad4f0958385c48f56c4aaaefae2c6733f86665219b25575ba2c3a017a42"},"schema_version":"1.0"},"canonical_sha256":"4444d951aefb7ebe9d110fca6c580294b87bac4f700b462f60f3cad428e1f17b","source":{"kind":"arxiv","id":"2203.16020","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.16020","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"arxiv_version","alias_value":"2203.16020v1","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.16020","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_12","alias_value":"IRCNSUNO7N7L","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_16","alias_value":"IRCNSUNO7N7L5HIR","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_8","alias_value":"IRCNSUNO","created_at":"2026-07-05T09:07:23Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:IRCNSUNO7N7L5HIRB7FGYWACSS","target":"record","payload":{"canonical_record":{"source":{"id":"2203.16020","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-30T02:57:05Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"f85c0d97848d7af2f86d7d507f82e6eafeb98a1247cac8148ebf30a54bfcfc69","abstract_canon_sha256":"b134fad4f0958385c48f56c4aaaefae2c6733f86665219b25575ba2c3a017a42"},"schema_version":"1.0"},"canonical_sha256":"4444d951aefb7ebe9d110fca6c580294b87bac4f700b462f60f3cad428e1f17b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:07:23.127988Z","signature_b64":"+WJSwPYu3poGizqgbnCcs2HlzuiZve33ktrMdlk/2I8iL3qs0vRvi2IAdVyU2Uq28nzjGFrbdY1L4wgeX6AsDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"4444d951aefb7ebe9d110fca6c580294b87bac4f700b462f60f3cad428e1f17b","last_reissued_at":"2026-07-05T09:07:23.127590Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:07:23.127590Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2203.16020","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":"2026-07-05T09:07:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"VXf3lTh8WylhAttcTwWh2ktDaK0XLMDf/4JKTAOX2vo4f739sPqqVj8fkHoHnI+q6A0j65jIlJukqfGVJIqSDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-18T18:04:42.476932Z"},"content_sha256":"d9770c1cf6d3195e7976dab0930c5f169ddd81e8e93d4d4f1cd007eb7e56ece7","schema_version":"1.0","event_id":"sha256:d9770c1cf6d3195e7976dab0930c5f169ddd81e8e93d4d4f1cd007eb7e56ece7"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:IRCNSUNO7N7L5HIRB7FGYWACSS","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Fan Ye, Hanli Cui, Jinhai Huang, Jun-Hui Yuan, Kan-Hao Xue, Li-Heng Li, Shengxin Yang, Xiangshui Miao","submitted_at":"2022-03-30T02:57:05Z","abstract_excerpt":"The Kohn-Sham gaps of density functional theory (DFT) obtained in terms of local density approximation (LDA) or generalized gradient approximation (GGA) cannot be directly linked to the fundamental gaps of semiconductors, but in engineering there is a strong demand to match them through certain rectification methods. Shell DFT-1/2 (shDFT-1/2), as a variant of DFT-1/2, is a potential candidate to yield much improved band gaps for covalent semiconductors, but its accuracy depends on the LDA/GGA ground state, including optimized lattice parameters, basic Kohn-Sham gap before self-energy correctio"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.16020","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2203.16020/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T09:07:23Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0+l+YxUZEVixKgot874Z0Pa9QrE7xwlK1mQlTWwvs8qm+OlUr4BBAvuCUt3+hIpBPoFmaEmwia2VLxIGpraNBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-18T18:04:42.477292Z"},"content_sha256":"5696391f87b43dedd6ad9050b7206fd9675aab993f8cb658228c53f848faa616","schema_version":"1.0","event_id":"sha256:5696391f87b43dedd6ad9050b7206fd9675aab993f8cb658228c53f848faa616"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/bundle.json","state_url":"https://pith.science/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/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":"2026-07-18T18:04:42Z","links":{"resolver":"https://pith.science/pith/IRCNSUNO7N7L5HIRB7FGYWACSS","bundle":"https://pith.science/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/bundle.json","state":"https://pith.science/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/state.json","well_known_bundle":"https://pith.science/.well-known/pith/IRCNSUNO7N7L5HIRB7FGYWACSS/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:IRCNSUNO7N7L5HIRB7FGYWACSS","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":"b134fad4f0958385c48f56c4aaaefae2c6733f86665219b25575ba2c3a017a42","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-30T02:57:05Z","title_canon_sha256":"f85c0d97848d7af2f86d7d507f82e6eafeb98a1247cac8148ebf30a54bfcfc69"},"schema_version":"1.0","source":{"id":"2203.16020","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.16020","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"arxiv_version","alias_value":"2203.16020v1","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.16020","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_12","alias_value":"IRCNSUNO7N7L","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_16","alias_value":"IRCNSUNO7N7L5HIR","created_at":"2026-07-05T09:07:23Z"},{"alias_kind":"pith_short_8","alias_value":"IRCNSUNO","created_at":"2026-07-05T09:07:23Z"}],"graph_snapshots":[{"event_id":"sha256:5696391f87b43dedd6ad9050b7206fd9675aab993f8cb658228c53f848faa616","target":"graph","created_at":"2026-07-05T09:07:23Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2203.16020/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The Kohn-Sham gaps of density functional theory (DFT) obtained in terms of local density approximation (LDA) or generalized gradient approximation (GGA) cannot be directly linked to the fundamental gaps of semiconductors, but in engineering there is a strong demand to match them through certain rectification methods. Shell DFT-1/2 (shDFT-1/2), as a variant of DFT-1/2, is a potential candidate to yield much improved band gaps for covalent semiconductors, but its accuracy depends on the LDA/GGA ground state, including optimized lattice parameters, basic Kohn-Sham gap before self-energy correctio","authors_text":"Fan Ye, Hanli Cui, Jinhai Huang, Jun-Hui Yuan, Kan-Hao Xue, Li-Heng Li, Shengxin Yang, Xiangshui Miao","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-30T02:57:05Z","title":"Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.16020","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:d9770c1cf6d3195e7976dab0930c5f169ddd81e8e93d4d4f1cd007eb7e56ece7","target":"record","created_at":"2026-07-05T09:07:23Z","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":"b134fad4f0958385c48f56c4aaaefae2c6733f86665219b25575ba2c3a017a42","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-30T02:57:05Z","title_canon_sha256":"f85c0d97848d7af2f86d7d507f82e6eafeb98a1247cac8148ebf30a54bfcfc69"},"schema_version":"1.0","source":{"id":"2203.16020","kind":"arxiv","version":1}},"canonical_sha256":"4444d951aefb7ebe9d110fca6c580294b87bac4f700b462f60f3cad428e1f17b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"4444d951aefb7ebe9d110fca6c580294b87bac4f700b462f60f3cad428e1f17b","first_computed_at":"2026-07-05T09:07:23.127590Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:07:23.127590Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+WJSwPYu3poGizqgbnCcs2HlzuiZve33ktrMdlk/2I8iL3qs0vRvi2IAdVyU2Uq28nzjGFrbdY1L4wgeX6AsDg==","signature_status":"signed_v1","signed_at":"2026-07-05T09:07:23.127988Z","signed_message":"canonical_sha256_bytes"},"source_id":"2203.16020","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d9770c1cf6d3195e7976dab0930c5f169ddd81e8e93d4d4f1cd007eb7e56ece7","sha256:5696391f87b43dedd6ad9050b7206fd9675aab993f8cb658228c53f848faa616"],"state_sha256":"62d1cf22618d0207c618b45fc3c34393d30d1c3d1082ff62e8cdb197a48b585e"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"GpKA6qTHAYFKCHPj/qrKbPTOxiMFbEgpaoG/PS38EPJE8vYd3WWadw1rHg014PEOadxpAw5b2vzMHVnrguYrAA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-18T18:04:42.479352Z","bundle_sha256":"9ec63e9b74ca51c3684edca6e9d5929db9e6ef0b58bbed5b4d1b0058e7978adf"}}