{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2016:6L5VQRFULUNGTH7UVPD52DMKX6","short_pith_number":"pith:6L5VQRFU","schema_version":"1.0","canonical_sha256":"f2fb5844b45d1a699ff4abc7dd0d8abf8aab209dcbd6ade9043253569c246489","source":{"kind":"arxiv","id":"1605.00457","version":1},"attestation_state":"computed","paper":{"title":"Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on Many-Body Green's Functions Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Behnaz Bagheri, Bj\\\"orn Baumeier, Mikko Karttunen","submitted_at":"2016-05-02T12:24:25Z","abstract_excerpt":"Electronic excitations in dilute solutions of poly para phenylene ethynylene (poly-PPE) are studied using a QM/MM approach combining many-body Green's functions theory within the $GW$ approximation and the Bethe-Salpeter equation with polarizable force field models. Oligomers up to a length of 7.5\\,nm (10 repeat units) functionalized with nonyl side chains are solvated in toluene and water, respectively. After equilibration using atomistic molecular dynamics (MD), the system is partitioned into a quantum region (backbone) embedded into a classical (side chains and solvent) environment. Optical"},"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":"1605.00457","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-05-02T12:24:25Z","cross_cats_sorted":["cond-mat.mes-hall","physics.chem-ph"],"title_canon_sha256":"9d1a47fa4e1f59958edb1b98194e794fbeb14625ade77f6e8d2fa55a4051d5e4","abstract_canon_sha256":"76e83442e02db03ae046a55fc9eb6bcbadb648c606a44a6f338677ffb4e50fc2"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:08:17.354890Z","signature_b64":"fCBTjnpDGxbXlRZWUKosn42i43mSD13R4CfsQ7y5TTUwQT+quNqfM98KsiMyGwPf24Kk9WkGIS/uVa4xIL/2BA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f2fb5844b45d1a699ff4abc7dd0d8abf8aab209dcbd6ade9043253569c246489","last_reissued_at":"2026-05-18T01:08:17.354270Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:08:17.354270Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Solvent effects on optical excitations of poly para phenylene ethynylene studied by QM/MM simulations based on Many-Body Green's Functions Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Behnaz Bagheri, Bj\\\"orn Baumeier, Mikko Karttunen","submitted_at":"2016-05-02T12:24:25Z","abstract_excerpt":"Electronic excitations in dilute solutions of poly para phenylene ethynylene (poly-PPE) are studied using a QM/MM approach combining many-body Green's functions theory within the $GW$ approximation and the Bethe-Salpeter equation with polarizable force field models. Oligomers up to a length of 7.5\\,nm (10 repeat units) functionalized with nonyl side chains are solvated in toluene and water, respectively. After equilibration using atomistic molecular dynamics (MD), the system is partitioned into a quantum region (backbone) embedded into a classical (side chains and solvent) environment. Optical"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1605.00457","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":""},"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":"1605.00457","created_at":"2026-05-18T01:08:17.354374+00:00"},{"alias_kind":"arxiv_version","alias_value":"1605.00457v1","created_at":"2026-05-18T01:08:17.354374+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1605.00457","created_at":"2026-05-18T01:08:17.354374+00:00"},{"alias_kind":"pith_short_12","alias_value":"6L5VQRFULUNG","created_at":"2026-05-18T12:30:01.593930+00:00"},{"alias_kind":"pith_short_16","alias_value":"6L5VQRFULUNGTH7U","created_at":"2026-05-18T12:30:01.593930+00:00"},{"alias_kind":"pith_short_8","alias_value":"6L5VQRFU","created_at":"2026-05-18T12:30:01.593930+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/6L5VQRFULUNGTH7UVPD52DMKX6","json":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6.json","graph_json":"https://pith.science/api/pith-number/6L5VQRFULUNGTH7UVPD52DMKX6/graph.json","events_json":"https://pith.science/api/pith-number/6L5VQRFULUNGTH7UVPD52DMKX6/events.json","paper":"https://pith.science/paper/6L5VQRFU"},"agent_actions":{"view_html":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6","download_json":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6.json","view_paper":"https://pith.science/paper/6L5VQRFU","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1605.00457&json=true","fetch_graph":"https://pith.science/api/pith-number/6L5VQRFULUNGTH7UVPD52DMKX6/graph.json","fetch_events":"https://pith.science/api/pith-number/6L5VQRFULUNGTH7UVPD52DMKX6/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6/action/timestamp_anchor","attest_storage":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6/action/storage_attestation","attest_author":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6/action/author_attestation","sign_citation":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6/action/citation_signature","submit_replication":"https://pith.science/pith/6L5VQRFULUNGTH7UVPD52DMKX6/action/replication_record"}},"created_at":"2026-05-18T01:08:17.354374+00:00","updated_at":"2026-05-18T01:08:17.354374+00:00"}