{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:BV6V2BV6MD7XT25XPCZDU2C7OD","short_pith_number":"pith:BV6V2BV6","canonical_record":{"source":{"id":"2307.09717","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-07-19T01:58:35Z","cross_cats_sorted":[],"title_canon_sha256":"8d0e747f3fc66789460780bdfcc1f5d092a30feedbb32df84d0022163a87137d","abstract_canon_sha256":"c96046f7bb641fd9bec01f80d6738c381d208f23dd9cac8afdde89528b850a13"},"schema_version":"1.0"},"canonical_sha256":"0d7d5d06be60ff79ebb778b23a685f70fb06816edab52b64c09b312b619fd3ca","source":{"kind":"arxiv","id":"2307.09717","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2307.09717","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"arxiv_version","alias_value":"2307.09717v1","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2307.09717","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_12","alias_value":"BV6V2BV6MD7X","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_16","alias_value":"BV6V2BV6MD7XT25X","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_8","alias_value":"BV6V2BV6","created_at":"2026-07-05T06:32:45Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:BV6V2BV6MD7XT25XPCZDU2C7OD","target":"record","payload":{"canonical_record":{"source":{"id":"2307.09717","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-07-19T01:58:35Z","cross_cats_sorted":[],"title_canon_sha256":"8d0e747f3fc66789460780bdfcc1f5d092a30feedbb32df84d0022163a87137d","abstract_canon_sha256":"c96046f7bb641fd9bec01f80d6738c381d208f23dd9cac8afdde89528b850a13"},"schema_version":"1.0"},"canonical_sha256":"0d7d5d06be60ff79ebb778b23a685f70fb06816edab52b64c09b312b619fd3ca","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T06:32:45.028098Z","signature_b64":"m4at4RhlD0v0yqsR4R5Vg1cyrmL39B61rQMVYWcEGw4M94qMVczHf/+RyCOkjVKBemEevbtNBoTKfaX72y6ICw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"0d7d5d06be60ff79ebb778b23a685f70fb06816edab52b64c09b312b619fd3ca","last_reissued_at":"2026-07-05T06:32:45.027623Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T06:32:45.027623Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2307.09717","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":"2026-07-05T06:32:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"lZ4ca/qD8AHgpVR6wcT1tVzy9WcJhEW59ZZwQt2gRxutMaxJbukCSEnxIeLclDDe3dkbLp3MxIFKUUVu+ZavAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-19T03:03:42.400414Z"},"content_sha256":"abac455fe92c6c85e2c784fcdb48dc8ecb8362e83c8b20bfa6da11e9f9064916","schema_version":"1.0","event_id":"sha256:abac455fe92c6c85e2c784fcdb48dc8ecb8362e83c8b20bfa6da11e9f9064916"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:BV6V2BV6MD7XT25XPCZDU2C7OD","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Greater Transferability and Accuracy of Norm-conserving Pseudopotentials using Nonlinear Core Corrections","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Elliot Rossomme, Kaixuan Chen, Martin Head-Gordon, Teresa Head-Gordon, Wan-Lu Li","submitted_at":"2023-07-19T01:58:35Z","abstract_excerpt":"We present an investigation into the transferability of pseudopotentials (PPs) with a nonlinear core correction (NLCC) using the Goedecker, Teter, and Hutter (GTH) protocol across a range of pure GGA, meta-GGA and hybrid functionals, and their impact on thermochemical and non-thermochemical properties. The GTH-NLCC PP for the PBE density functional demonstrates remarkable transferability to the PBE0 and $\\omega$B97X-V exchange-correlation functionals, and relative to no NLCC, improves agreement significantly for thermochemical benchmarks compared to all-electron calculations. On the other hand"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2307.09717","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/2307.09717/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":"2026-07-05T06:32:45Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"qdA84wLIduOmI1WbiL0CpkDwlkPieXrWQgXVpgiu+B/I6RQNVoKu3kUpBJoTOOk3IogYMv2gGxMnUMEZBRb9Aw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-19T03:03:42.400782Z"},"content_sha256":"fb02c50dc947c34c9e3216bbb42b3b4690570bb3be1eba157613837dcb71def1","schema_version":"1.0","event_id":"sha256:fb02c50dc947c34c9e3216bbb42b3b4690570bb3be1eba157613837dcb71def1"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/bundle.json","state_url":"https://pith.science/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/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":"2026-07-19T03:03:42Z","links":{"resolver":"https://pith.science/pith/BV6V2BV6MD7XT25XPCZDU2C7OD","bundle":"https://pith.science/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/bundle.json","state":"https://pith.science/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/state.json","well_known_bundle":"https://pith.science/.well-known/pith/BV6V2BV6MD7XT25XPCZDU2C7OD/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:BV6V2BV6MD7XT25XPCZDU2C7OD","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":"c96046f7bb641fd9bec01f80d6738c381d208f23dd9cac8afdde89528b850a13","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-07-19T01:58:35Z","title_canon_sha256":"8d0e747f3fc66789460780bdfcc1f5d092a30feedbb32df84d0022163a87137d"},"schema_version":"1.0","source":{"id":"2307.09717","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2307.09717","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"arxiv_version","alias_value":"2307.09717v1","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2307.09717","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_12","alias_value":"BV6V2BV6MD7X","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_16","alias_value":"BV6V2BV6MD7XT25X","created_at":"2026-07-05T06:32:45Z"},{"alias_kind":"pith_short_8","alias_value":"BV6V2BV6","created_at":"2026-07-05T06:32:45Z"}],"graph_snapshots":[{"event_id":"sha256:fb02c50dc947c34c9e3216bbb42b3b4690570bb3be1eba157613837dcb71def1","target":"graph","created_at":"2026-07-05T06:32:45Z","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/2307.09717/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We present an investigation into the transferability of pseudopotentials (PPs) with a nonlinear core correction (NLCC) using the Goedecker, Teter, and Hutter (GTH) protocol across a range of pure GGA, meta-GGA and hybrid functionals, and their impact on thermochemical and non-thermochemical properties. The GTH-NLCC PP for the PBE density functional demonstrates remarkable transferability to the PBE0 and $\\omega$B97X-V exchange-correlation functionals, and relative to no NLCC, improves agreement significantly for thermochemical benchmarks compared to all-electron calculations. On the other hand","authors_text":"Elliot Rossomme, Kaixuan Chen, Martin Head-Gordon, Teresa Head-Gordon, Wan-Lu Li","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-07-19T01:58:35Z","title":"Greater Transferability and Accuracy of Norm-conserving Pseudopotentials using Nonlinear Core Corrections"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2307.09717","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:abac455fe92c6c85e2c784fcdb48dc8ecb8362e83c8b20bfa6da11e9f9064916","target":"record","created_at":"2026-07-05T06:32:45Z","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":"c96046f7bb641fd9bec01f80d6738c381d208f23dd9cac8afdde89528b850a13","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-07-19T01:58:35Z","title_canon_sha256":"8d0e747f3fc66789460780bdfcc1f5d092a30feedbb32df84d0022163a87137d"},"schema_version":"1.0","source":{"id":"2307.09717","kind":"arxiv","version":1}},"canonical_sha256":"0d7d5d06be60ff79ebb778b23a685f70fb06816edab52b64c09b312b619fd3ca","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"0d7d5d06be60ff79ebb778b23a685f70fb06816edab52b64c09b312b619fd3ca","first_computed_at":"2026-07-05T06:32:45.027623Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T06:32:45.027623Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"m4at4RhlD0v0yqsR4R5Vg1cyrmL39B61rQMVYWcEGw4M94qMVczHf/+RyCOkjVKBemEevbtNBoTKfaX72y6ICw==","signature_status":"signed_v1","signed_at":"2026-07-05T06:32:45.028098Z","signed_message":"canonical_sha256_bytes"},"source_id":"2307.09717","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:abac455fe92c6c85e2c784fcdb48dc8ecb8362e83c8b20bfa6da11e9f9064916","sha256:fb02c50dc947c34c9e3216bbb42b3b4690570bb3be1eba157613837dcb71def1"],"state_sha256":"e594f039c75a2f2e29c31161a4019e5dd644e389cd5000ef282df52352a42694"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"D4zxI4ydTETjTd/i9PuHljTy9qOMyg2LmyQ72VNP0czBm6C9LYY/mCuIModVOCQFyHcDTG3c2Y+Tn4tjd9C1DA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-19T03:03:42.403255Z","bundle_sha256":"02b7c0559220a6ce4c75c2633165344cb99456c1918da85ffeb02fcb0d9fa49e"}}