{"paper":{"title":"An efficient deterministic perturbation theory for selected configuration interaction methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atm-clus","physics.comp-ph","quant-ph"],"primary_cat":"cond-mat.str-el","authors_text":"Daniel S. Levine, Diptarka Hait, K. Birgitta Whaley, Martin Head-Gordon, Norm M. Tubman","submitted_at":"2018-08-06T18:02:32Z","abstract_excerpt":"The interplay between advances in stochastic and deterministic algorithms has recently led to development of interesting new selected configuration interaction (SCI) methods for solving the many body Schr\\\"{o}dinger equation. The performance of these SCI methods can be greatly improved with a second order perturbation theory (PT2) correction, which is often evaluated in a stochastic or hybrid-stochastic manner. In this work, we present a highly efficient, fully deterministic PT2 algorithm for SCI methods and demonstrate that our approach is orders of magnitude faster than recent proposals for "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1808.02049","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"}