{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:VZOYJMOKUZAEXVM3AFZY5NLZD6","short_pith_number":"pith:VZOYJMOK","canonical_record":{"source":{"id":"1703.10830","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-03-31T10:11:58Z","cross_cats_sorted":[],"title_canon_sha256":"0c31c38138659a1044b173833ec3980900425e93c99488e75bbc446cd5f36b68","abstract_canon_sha256":"4a49acba3d409376806e1e1a748d4c9f84f2f186c39cbb0fdb6b50025e850cf0"},"schema_version":"1.0"},"canonical_sha256":"ae5d84b1caa6404bd59b01738eb5791f90b350513c2e583e4a3ea800db1c38b0","source":{"kind":"arxiv","id":"1703.10830","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1703.10830","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"arxiv_version","alias_value":"1703.10830v3","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1703.10830","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"pith_short_12","alias_value":"VZOYJMOKUZAE","created_at":"2026-05-18T12:31:49Z"},{"alias_kind":"pith_short_16","alias_value":"VZOYJMOKUZAEXVM3","created_at":"2026-05-18T12:31:49Z"},{"alias_kind":"pith_short_8","alias_value":"VZOYJMOK","created_at":"2026-05-18T12:31:49Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:VZOYJMOKUZAEXVM3AFZY5NLZD6","target":"record","payload":{"canonical_record":{"source":{"id":"1703.10830","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-03-31T10:11:58Z","cross_cats_sorted":[],"title_canon_sha256":"0c31c38138659a1044b173833ec3980900425e93c99488e75bbc446cd5f36b68","abstract_canon_sha256":"4a49acba3d409376806e1e1a748d4c9f84f2f186c39cbb0fdb6b50025e850cf0"},"schema_version":"1.0"},"canonical_sha256":"ae5d84b1caa6404bd59b01738eb5791f90b350513c2e583e4a3ea800db1c38b0","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:19:08.968068Z","signature_b64":"Y6v2BPPdl4Ead4N9VV4U1rYRANzqxY6VR1EvrZmcOJoP1tHqEwQa/fH51KJtJ0hhyZwKbYqVXOo6NXTqiya8DA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"ae5d84b1caa6404bd59b01738eb5791f90b350513c2e583e4a3ea800db1c38b0","last_reissued_at":"2026-05-18T00:19:08.967496Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:19:08.967496Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1703.10830","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T00:19:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"NSU0hIMOgmE0lchqkZQFozQ4UuKjvehDhcRfX4a2iW0QYLp0fkXIQ7y89fAhgQVK8FV61htEa9zxugoTViNHAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T07:37:01.415510Z"},"content_sha256":"0e8e849b14b17b0ba9b1c6377cfc5b73d3b5708aecb4c2dad0ec20a35a955e14","schema_version":"1.0","event_id":"sha256:0e8e849b14b17b0ba9b1c6377cfc5b73d3b5708aecb4c2dad0ec20a35a955e14"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:VZOYJMOKUZAEXVM3AFZY5NLZD6","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Alexander Sokolov, Enrico Ronca, Garnet Kin-Lic Chan, Sheng Guo","submitted_at":"2017-03-31T10:11:58Z","abstract_excerpt":"In earlier work [J. Chem. Phys. 144, 064102 (2016)], we introduced a time-dependent formulation of the second-order N-electron valence perturbation theory (t-NEVPT2) which (i) had a lower computational scaling than the usual internally-contracted perturbation formulation, and (ii) yielded the fully uncontracted NEVPT2 energy. Here, we present a combination of t-NEVPT2 with a matrix product state (MPS) reference wavefunction (t-MPS-NEVPT2) that allows to compute uncontracted dynamic correlation energies for large active spaces and basis sets, using the time-dependent density matrix renormalizat"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.10830","kind":"arxiv","version":3},"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":"2026-05-18T00:19:08Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"1bQw593nSt2mXwyBP/brOMykqbP24L1ROwk1iDHnmULnYLulTXx2BJOJpdHkdKNi76UiHDOAh6Pyvh8/O+a8AA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T07:37:01.415911Z"},"content_sha256":"1a95b4b0722d26aa82f842dda627db2c0825406787851c66b3a41a68f2c9551a","schema_version":"1.0","event_id":"sha256:1a95b4b0722d26aa82f842dda627db2c0825406787851c66b3a41a68f2c9551a"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/bundle.json","state_url":"https://pith.science/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/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":"2026-05-30T07:37:01Z","links":{"resolver":"https://pith.science/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6","bundle":"https://pith.science/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/bundle.json","state":"https://pith.science/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/state.json","well_known_bundle":"https://pith.science/.well-known/pith/VZOYJMOKUZAEXVM3AFZY5NLZD6/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:VZOYJMOKUZAEXVM3AFZY5NLZD6","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":"4a49acba3d409376806e1e1a748d4c9f84f2f186c39cbb0fdb6b50025e850cf0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-03-31T10:11:58Z","title_canon_sha256":"0c31c38138659a1044b173833ec3980900425e93c99488e75bbc446cd5f36b68"},"schema_version":"1.0","source":{"id":"1703.10830","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1703.10830","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"arxiv_version","alias_value":"1703.10830v3","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1703.10830","created_at":"2026-05-18T00:19:08Z"},{"alias_kind":"pith_short_12","alias_value":"VZOYJMOKUZAE","created_at":"2026-05-18T12:31:49Z"},{"alias_kind":"pith_short_16","alias_value":"VZOYJMOKUZAEXVM3","created_at":"2026-05-18T12:31:49Z"},{"alias_kind":"pith_short_8","alias_value":"VZOYJMOK","created_at":"2026-05-18T12:31:49Z"}],"graph_snapshots":[{"event_id":"sha256:1a95b4b0722d26aa82f842dda627db2c0825406787851c66b3a41a68f2c9551a","target":"graph","created_at":"2026-05-18T00:19:08Z","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":"In earlier work [J. Chem. Phys. 144, 064102 (2016)], we introduced a time-dependent formulation of the second-order N-electron valence perturbation theory (t-NEVPT2) which (i) had a lower computational scaling than the usual internally-contracted perturbation formulation, and (ii) yielded the fully uncontracted NEVPT2 energy. Here, we present a combination of t-NEVPT2 with a matrix product state (MPS) reference wavefunction (t-MPS-NEVPT2) that allows to compute uncontracted dynamic correlation energies for large active spaces and basis sets, using the time-dependent density matrix renormalizat","authors_text":"Alexander Sokolov, Enrico Ronca, Garnet Kin-Lic Chan, Sheng Guo","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-03-31T10:11:58Z","title":"Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1703.10830","kind":"arxiv","version":3},"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":"sha256:0e8e849b14b17b0ba9b1c6377cfc5b73d3b5708aecb4c2dad0ec20a35a955e14","target":"record","created_at":"2026-05-18T00:19:08Z","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":"4a49acba3d409376806e1e1a748d4c9f84f2f186c39cbb0fdb6b50025e850cf0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-03-31T10:11:58Z","title_canon_sha256":"0c31c38138659a1044b173833ec3980900425e93c99488e75bbc446cd5f36b68"},"schema_version":"1.0","source":{"id":"1703.10830","kind":"arxiv","version":3}},"canonical_sha256":"ae5d84b1caa6404bd59b01738eb5791f90b350513c2e583e4a3ea800db1c38b0","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"ae5d84b1caa6404bd59b01738eb5791f90b350513c2e583e4a3ea800db1c38b0","first_computed_at":"2026-05-18T00:19:08.967496Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:19:08.967496Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Y6v2BPPdl4Ead4N9VV4U1rYRANzqxY6VR1EvrZmcOJoP1tHqEwQa/fH51KJtJ0hhyZwKbYqVXOo6NXTqiya8DA==","signature_status":"signed_v1","signed_at":"2026-05-18T00:19:08.968068Z","signed_message":"canonical_sha256_bytes"},"source_id":"1703.10830","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0e8e849b14b17b0ba9b1c6377cfc5b73d3b5708aecb4c2dad0ec20a35a955e14","sha256:1a95b4b0722d26aa82f842dda627db2c0825406787851c66b3a41a68f2c9551a"],"state_sha256":"8b7910ac3c4336ada5e035ad434e29a55328831203ea39417a659252d95fe6a9"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"irJv+opS0ObAPhiJR+EoJDTojNX+nSx44dE7DaOCzcAbO2RjOn1r4xFpMt5EYakYbe1qlsD7OCRHgTqVtX1JCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-30T07:37:01.418413Z","bundle_sha256":"9abecac43ebcd957fba674fb14b2311457d59a42459dae0b4bcbfff93c8a7b3f"}}