{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:2TQ36XFMAUVU2CWH3EV7NS2252","short_pith_number":"pith:2TQ36XFM","canonical_record":{"source":{"id":"2506.06805","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-07T14:05:02Z","cross_cats_sorted":[],"title_canon_sha256":"b6faf4a8ba1409fb9998e2ecdee81d39cfba4a2173a46b2a1a2eec18abb70867","abstract_canon_sha256":"b1c69334e4ffbfb662c50ccabc67632acbe6064c299c3f2b041b844e10fc12f4"},"schema_version":"1.0"},"canonical_sha256":"d4e1bf5cac052b4d0ac7d92bf6cb5aee8082364a05626a3c27fdeded2df588df","source":{"kind":"arxiv","id":"2506.06805","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2506.06805","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"arxiv_version","alias_value":"2506.06805v1","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2506.06805","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_12","alias_value":"2TQ36XFMAUVU","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_16","alias_value":"2TQ36XFMAUVU2CWH","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_8","alias_value":"2TQ36XFM","created_at":"2026-07-05T11:17:55Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:2TQ36XFMAUVU2CWH3EV7NS2252","target":"record","payload":{"canonical_record":{"source":{"id":"2506.06805","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-07T14:05:02Z","cross_cats_sorted":[],"title_canon_sha256":"b6faf4a8ba1409fb9998e2ecdee81d39cfba4a2173a46b2a1a2eec18abb70867","abstract_canon_sha256":"b1c69334e4ffbfb662c50ccabc67632acbe6064c299c3f2b041b844e10fc12f4"},"schema_version":"1.0"},"canonical_sha256":"d4e1bf5cac052b4d0ac7d92bf6cb5aee8082364a05626a3c27fdeded2df588df","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:17:55.945695Z","signature_b64":"/LKbPG7vAewd1igHXSkDz0ru83CYZgM8ndiYMKYRUl4KQ6L/b1y38XNbII1lvHzKgYUCKFMtvDcvQV25GjJVCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d4e1bf5cac052b4d0ac7d92bf6cb5aee8082364a05626a3c27fdeded2df588df","last_reissued_at":"2026-07-05T11:17:55.945234Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:17:55.945234Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2506.06805","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":"2026-07-05T11:17:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"UA4LYTSn37KVii/GiKww9dL3IyAz3jxVbR6dtiu74ggHjVe0wKECWeFXdr7x7kvzu+dEG/thSmwzm2G5aRu/BQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T23:26:58.346731Z"},"content_sha256":"163d8fe069533f90eca9a6cbe985b44ff936e94fa9d5f0d850a44aea9c9829cb","schema_version":"1.0","event_id":"sha256:163d8fe069533f90eca9a6cbe985b44ff936e94fa9d5f0d850a44aea9c9829cb"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:2TQ36XFMAUVU2CWH3EV7NS2252","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Achintya Kumar Dutta, Malaya K. Nayak, Somesh Chamoli","submitted_at":"2025-06-07T14:05:02Z","abstract_excerpt":"We report an efficient implementation of the ionization potential (IP) variant of the equation-of-motion coupled cluster (IP-EOM-CC) method based on the exact two-component atomic mean field (X2CAMF) framework, utilizing Cholesky decomposition (CD) and frozen natural spinors (FNS). The CD approximation significantly reduces memory demands, whereas the FNS approximation lowers the number of floating-point operations. Together, these techniques make the method computationally efficient for accurate relativistic IP-EOM-CC calculations of molecules containing heavy elements. The calculated IP valu"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.06805","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/2506.06805/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":"2026-07-05T11:17:55Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"VmodDSyBrVjHhCTrHQ6hR5tBLw97CcbiecfACf5uVepRb4HpCyEgsHre9XD4vm0zm/r0YRwxGxjAYqNLNMMGAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T23:26:58.347309Z"},"content_sha256":"a0d0abcf0a4b5940457bbfe6b04527007bf89c3aba60b37ebdde7418fa90f3c5","schema_version":"1.0","event_id":"sha256:a0d0abcf0a4b5940457bbfe6b04527007bf89c3aba60b37ebdde7418fa90f3c5"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/2TQ36XFMAUVU2CWH3EV7NS2252/bundle.json","state_url":"https://pith.science/pith/2TQ36XFMAUVU2CWH3EV7NS2252/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/2TQ36XFMAUVU2CWH3EV7NS2252/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":"2026-08-07T23:26:58Z","links":{"resolver":"https://pith.science/pith/2TQ36XFMAUVU2CWH3EV7NS2252","bundle":"https://pith.science/pith/2TQ36XFMAUVU2CWH3EV7NS2252/bundle.json","state":"https://pith.science/pith/2TQ36XFMAUVU2CWH3EV7NS2252/state.json","well_known_bundle":"https://pith.science/.well-known/pith/2TQ36XFMAUVU2CWH3EV7NS2252/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:2TQ36XFMAUVU2CWH3EV7NS2252","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":"b1c69334e4ffbfb662c50ccabc67632acbe6064c299c3f2b041b844e10fc12f4","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-07T14:05:02Z","title_canon_sha256":"b6faf4a8ba1409fb9998e2ecdee81d39cfba4a2173a46b2a1a2eec18abb70867"},"schema_version":"1.0","source":{"id":"2506.06805","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2506.06805","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"arxiv_version","alias_value":"2506.06805v1","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2506.06805","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_12","alias_value":"2TQ36XFMAUVU","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_16","alias_value":"2TQ36XFMAUVU2CWH","created_at":"2026-07-05T11:17:55Z"},{"alias_kind":"pith_short_8","alias_value":"2TQ36XFM","created_at":"2026-07-05T11:17:55Z"}],"graph_snapshots":[{"event_id":"sha256:a0d0abcf0a4b5940457bbfe6b04527007bf89c3aba60b37ebdde7418fa90f3c5","target":"graph","created_at":"2026-07-05T11:17:55Z","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/2506.06805/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We report an efficient implementation of the ionization potential (IP) variant of the equation-of-motion coupled cluster (IP-EOM-CC) method based on the exact two-component atomic mean field (X2CAMF) framework, utilizing Cholesky decomposition (CD) and frozen natural spinors (FNS). The CD approximation significantly reduces memory demands, whereas the FNS approximation lowers the number of floating-point operations. Together, these techniques make the method computationally efficient for accurate relativistic IP-EOM-CC calculations of molecules containing heavy elements. The calculated IP valu","authors_text":"Achintya Kumar Dutta, Malaya K. Nayak, Somesh Chamoli","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-07T14:05:02Z","title":"A Reduced Cost Two-component Relativistic Equation-of-Motion Coupled Cluster Method for Ionization Potential"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.06805","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":"sha256:163d8fe069533f90eca9a6cbe985b44ff936e94fa9d5f0d850a44aea9c9829cb","target":"record","created_at":"2026-07-05T11:17:55Z","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":"b1c69334e4ffbfb662c50ccabc67632acbe6064c299c3f2b041b844e10fc12f4","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-07T14:05:02Z","title_canon_sha256":"b6faf4a8ba1409fb9998e2ecdee81d39cfba4a2173a46b2a1a2eec18abb70867"},"schema_version":"1.0","source":{"id":"2506.06805","kind":"arxiv","version":1}},"canonical_sha256":"d4e1bf5cac052b4d0ac7d92bf6cb5aee8082364a05626a3c27fdeded2df588df","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d4e1bf5cac052b4d0ac7d92bf6cb5aee8082364a05626a3c27fdeded2df588df","first_computed_at":"2026-07-05T11:17:55.945234Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:17:55.945234Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"/LKbPG7vAewd1igHXSkDz0ru83CYZgM8ndiYMKYRUl4KQ6L/b1y38XNbII1lvHzKgYUCKFMtvDcvQV25GjJVCA==","signature_status":"signed_v1","signed_at":"2026-07-05T11:17:55.945695Z","signed_message":"canonical_sha256_bytes"},"source_id":"2506.06805","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:163d8fe069533f90eca9a6cbe985b44ff936e94fa9d5f0d850a44aea9c9829cb","sha256:a0d0abcf0a4b5940457bbfe6b04527007bf89c3aba60b37ebdde7418fa90f3c5"],"state_sha256":"0b2f7fd1795503d7e135d58023d3960037573c56c86dd45870982dcdddff435a"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Cf1EAhmXiLlqOTO+31H5GQCjr1/EHnpONqx5UKCoCsgM73KllhMhuXjB5XbhgLF7FLhYU83f8Kvk4HGJUNbjAw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-07T23:26:58.352699Z","bundle_sha256":"2c73a892b960929b60f57bb40cb9ce6ff41b6dd9691706b914e2f7522f0750da"}}