{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2019:PIIJVIJXSILR54IJFE2VTK47JL","short_pith_number":"pith:PIIJVIJX","schema_version":"1.0","canonical_sha256":"7a109aa13792171ef109293559ab9f4ad10f9a235718cfeab53ca772bad3c345","source":{"kind":"arxiv","id":"1908.01490","version":2},"attestation_state":"computed","paper":{"title":"Efficient and accurate description of adsorption in zeolites","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"David P. Tew, Ji\\v{r}\\'i Klime\\v{s}","submitted_at":"2019-08-05T06:54:37Z","abstract_excerpt":"Accurate theoretical methods are needed to correctly describe adsorption on solid surfaces or in porous materials. The random phase approximation with singles corrections scheme (RPA) and the second order M{\\o}ller-Plesset perturbation theory (MP2) are two schemes which offer high accuracy at affordable computational cost. However, there is little knowledge about their applicability and reliability for different adsorbates and surfaces. Here we calculate adsorption energies of seven different molecules in zeolite chabazite to show that RPA with singles corrections is superior to MP2 not only i"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1908.01490","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-08-05T06:54:37Z","cross_cats_sorted":[],"title_canon_sha256":"062367f72c188ad1a76adfe6087896aa2b09d7e22380ad38f48f4f9b83c50eeb","abstract_canon_sha256":"e3230c2bcc36e18eecf1faa2c6d910454efbcf58c16c0f35bb9c2497978a8aa4"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T00:31:54.652937Z","signature_b64":"45+v0pOj6eT4MrdkYezOPzXuLxEUrTF1jBR/RjZ8xd/XvZT875KnTSUbwTQeklOx64Yxt0p8vGU3YEwR2QJwBg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7a109aa13792171ef109293559ab9f4ad10f9a235718cfeab53ca772bad3c345","last_reissued_at":"2026-07-05T00:31:54.652442Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T00:31:54.652442Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Efficient and accurate description of adsorption in zeolites","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"David P. Tew, Ji\\v{r}\\'i Klime\\v{s}","submitted_at":"2019-08-05T06:54:37Z","abstract_excerpt":"Accurate theoretical methods are needed to correctly describe adsorption on solid surfaces or in porous materials. The random phase approximation with singles corrections scheme (RPA) and the second order M{\\o}ller-Plesset perturbation theory (MP2) are two schemes which offer high accuracy at affordable computational cost. However, there is little knowledge about their applicability and reliability for different adsorbates and surfaces. Here we calculate adsorption energies of seven different molecules in zeolite chabazite to show that RPA with singles corrections is superior to MP2 not only i"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1908.01490","kind":"arxiv","version":2},"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/1908.01490/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1908.01490","created_at":"2026-07-05T00:31:54.652506+00:00"},{"alias_kind":"arxiv_version","alias_value":"1908.01490v2","created_at":"2026-07-05T00:31:54.652506+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1908.01490","created_at":"2026-07-05T00:31:54.652506+00:00"},{"alias_kind":"pith_short_12","alias_value":"PIIJVIJXSILR","created_at":"2026-07-05T00:31:54.652506+00:00"},{"alias_kind":"pith_short_16","alias_value":"PIIJVIJXSILR54IJ","created_at":"2026-07-05T00:31:54.652506+00:00"},{"alias_kind":"pith_short_8","alias_value":"PIIJVIJX","created_at":"2026-07-05T00:31:54.652506+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL","json":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL.json","graph_json":"https://pith.science/api/pith-number/PIIJVIJXSILR54IJFE2VTK47JL/graph.json","events_json":"https://pith.science/api/pith-number/PIIJVIJXSILR54IJFE2VTK47JL/events.json","paper":"https://pith.science/paper/PIIJVIJX"},"agent_actions":{"view_html":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL","download_json":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL.json","view_paper":"https://pith.science/paper/PIIJVIJX","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1908.01490&json=true","fetch_graph":"https://pith.science/api/pith-number/PIIJVIJXSILR54IJFE2VTK47JL/graph.json","fetch_events":"https://pith.science/api/pith-number/PIIJVIJXSILR54IJFE2VTK47JL/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL/action/timestamp_anchor","attest_storage":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL/action/storage_attestation","attest_author":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL/action/author_attestation","sign_citation":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL/action/citation_signature","submit_replication":"https://pith.science/pith/PIIJVIJXSILR54IJFE2VTK47JL/action/replication_record"}},"created_at":"2026-07-05T00:31:54.652506+00:00","updated_at":"2026-07-05T00:31:54.652506+00:00"}