{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:GUHKZT2GRP4DDYF64NSD4YN2PL","short_pith_number":"pith:GUHKZT2G","canonical_record":{"source":{"id":"1810.11659","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-27T15:09:16Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"e35423e977c23718f43800bc9d6680860c390dbb4680200d39fd45ca0965765e","abstract_canon_sha256":"99943faa79b2189ef587aef6de9dac9decac8f7e17fec279ec0100c190945add"},"schema_version":"1.0"},"canonical_sha256":"350eaccf468bf831e0bee3643e61ba7aedbe84887d98cea37ea01ad9718d3d51","source":{"kind":"arxiv","id":"1810.11659","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1810.11659","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"arxiv_version","alias_value":"1810.11659v2","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1810.11659","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"pith_short_12","alias_value":"GUHKZT2GRP4D","created_at":"2026-05-18T12:32:25Z"},{"alias_kind":"pith_short_16","alias_value":"GUHKZT2GRP4DDYF6","created_at":"2026-05-18T12:32:25Z"},{"alias_kind":"pith_short_8","alias_value":"GUHKZT2G","created_at":"2026-05-18T12:32:25Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:GUHKZT2GRP4DDYF64NSD4YN2PL","target":"record","payload":{"canonical_record":{"source":{"id":"1810.11659","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-27T15:09:16Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"e35423e977c23718f43800bc9d6680860c390dbb4680200d39fd45ca0965765e","abstract_canon_sha256":"99943faa79b2189ef587aef6de9dac9decac8f7e17fec279ec0100c190945add"},"schema_version":"1.0"},"canonical_sha256":"350eaccf468bf831e0bee3643e61ba7aedbe84887d98cea37ea01ad9718d3d51","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:51:32.938797Z","signature_b64":"TY+y0B6eSZshl+YtoGXF2zG//7HOX6XWOxoc+ws60Rg+QGwWXBd9xiIA/Wdm6ModAnxpedbbQL+0/gwTTCW+Cw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"350eaccf468bf831e0bee3643e61ba7aedbe84887d98cea37ea01ad9718d3d51","last_reissued_at":"2026-05-17T23:51:32.938143Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:51:32.938143Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1810.11659","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-17T23:51:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"b7yihTBzNI4cyCip3xkqFdqnBJzrkjkAa2ZNIy6BR8Dt++L5qqzR0itWLTi9TZWHFRVlKZAdulkZUW6Tkai4AA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T14:51:15.370077Z"},"content_sha256":"dfd8faa66d90491d52a2488d176669b4503e4186b43d041e42807349225f4f94","schema_version":"1.0","event_id":"sha256:dfd8faa66d90491d52a2488d176669b4503e4186b43d041e42807349225f4f94"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:GUHKZT2GRP4DDYF64NSD4YN2PL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Susi Lehtola","submitted_at":"2018-10-27T15:09:16Z","abstract_excerpt":"Electronic structure calculations, such as in the Hartree-Fock or Kohn-Sham density functional approach, require an initial guess for the molecular orbitals. The quality of the initial guess has a significant impact on the speed of convergence of the self-consistent field (SCF) procedure. Popular choices for the initial guess include the one-electron guess from the core Hamiltonian, the extended H\\\"uckel method, and the superposition of atomic densities (SAD).\n  Here, we discuss alternative guesses obtained from the superposition of atomic potentials (SAP), which is easily implementable even i"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.11659","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":""},"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":"2026-05-17T23:51:32Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"KCuiFwtRsQ7xFhWreQRrchWRuivpXYrqz0ub03fy+L5cAKWn1MfImH6c9NjrUM1F4tyDhUJ0mVfZS1wQgpTDBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T14:51:15.370394Z"},"content_sha256":"d9f05ffb80841985f88484fdbbb728d5ecca37954ee9a117bd115fe70fbd3e02","schema_version":"1.0","event_id":"sha256:d9f05ffb80841985f88484fdbbb728d5ecca37954ee9a117bd115fe70fbd3e02"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/bundle.json","state_url":"https://pith.science/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/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":"2026-08-14T14:51:15Z","links":{"resolver":"https://pith.science/pith/GUHKZT2GRP4DDYF64NSD4YN2PL","bundle":"https://pith.science/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/bundle.json","state":"https://pith.science/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/GUHKZT2GRP4DDYF64NSD4YN2PL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:GUHKZT2GRP4DDYF64NSD4YN2PL","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":"99943faa79b2189ef587aef6de9dac9decac8f7e17fec279ec0100c190945add","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-27T15:09:16Z","title_canon_sha256":"e35423e977c23718f43800bc9d6680860c390dbb4680200d39fd45ca0965765e"},"schema_version":"1.0","source":{"id":"1810.11659","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1810.11659","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"arxiv_version","alias_value":"1810.11659v2","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1810.11659","created_at":"2026-05-17T23:51:32Z"},{"alias_kind":"pith_short_12","alias_value":"GUHKZT2GRP4D","created_at":"2026-05-18T12:32:25Z"},{"alias_kind":"pith_short_16","alias_value":"GUHKZT2GRP4DDYF6","created_at":"2026-05-18T12:32:25Z"},{"alias_kind":"pith_short_8","alias_value":"GUHKZT2G","created_at":"2026-05-18T12:32:25Z"}],"graph_snapshots":[{"event_id":"sha256:d9f05ffb80841985f88484fdbbb728d5ecca37954ee9a117bd115fe70fbd3e02","target":"graph","created_at":"2026-05-17T23:51:32Z","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":"Electronic structure calculations, such as in the Hartree-Fock or Kohn-Sham density functional approach, require an initial guess for the molecular orbitals. The quality of the initial guess has a significant impact on the speed of convergence of the self-consistent field (SCF) procedure. Popular choices for the initial guess include the one-electron guess from the core Hamiltonian, the extended H\\\"uckel method, and the superposition of atomic densities (SAD).\n  Here, we discuss alternative guesses obtained from the superposition of atomic potentials (SAP), which is easily implementable even i","authors_text":"Susi Lehtola","cross_cats":["physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-27T15:09:16Z","title":"An assessment of initial guesses for self-consistent field calculations. Superposition of Atomic Potentials: simple yet efficient"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.11659","kind":"arxiv","version":2},"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:dfd8faa66d90491d52a2488d176669b4503e4186b43d041e42807349225f4f94","target":"record","created_at":"2026-05-17T23:51:32Z","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":"99943faa79b2189ef587aef6de9dac9decac8f7e17fec279ec0100c190945add","cross_cats_sorted":["physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-10-27T15:09:16Z","title_canon_sha256":"e35423e977c23718f43800bc9d6680860c390dbb4680200d39fd45ca0965765e"},"schema_version":"1.0","source":{"id":"1810.11659","kind":"arxiv","version":2}},"canonical_sha256":"350eaccf468bf831e0bee3643e61ba7aedbe84887d98cea37ea01ad9718d3d51","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"350eaccf468bf831e0bee3643e61ba7aedbe84887d98cea37ea01ad9718d3d51","first_computed_at":"2026-05-17T23:51:32.938143Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:51:32.938143Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"TY+y0B6eSZshl+YtoGXF2zG//7HOX6XWOxoc+ws60Rg+QGwWXBd9xiIA/Wdm6ModAnxpedbbQL+0/gwTTCW+Cw==","signature_status":"signed_v1","signed_at":"2026-05-17T23:51:32.938797Z","signed_message":"canonical_sha256_bytes"},"source_id":"1810.11659","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:dfd8faa66d90491d52a2488d176669b4503e4186b43d041e42807349225f4f94","sha256:d9f05ffb80841985f88484fdbbb728d5ecca37954ee9a117bd115fe70fbd3e02"],"state_sha256":"7a6b6f29489c5644b7a58ad973db710a9fc3325bf85245c4e7827e5dd013d0cc"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"pXvtYrjOqpDVGEDX2zjxgjYD9eBBoP7VbyRrAHYXoAo1sB8r0YjqrxBgl2qPeq/T2fHp5BEWM3+1BPbENqf9Bg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-14T14:51:15.372570Z","bundle_sha256":"df08c98ac7483f17f32805520856cb0e0060521df8e9df50a85c38e4f8691a4c"}}