{"paper":{"title":"Regularized Orbital-Optimized Second-Order M{\\o}ller-Plesset Perturbation Theory: A Reliable Fifth-Order Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Joonho Lee, Martin Head-Gordon","submitted_at":"2018-07-17T02:38:39Z","abstract_excerpt":"We derive and assess two new classes of regularizers that cope with offending denominators in the single-reference second-order M{\\o}ller-Plesset perturbation theory (MP2). In particular, we discuss the use of two types of orbital energy dependent regularizers, $\\kappa$ and $\\sigma$, in conjunction with orbital-optimized MP2 (OOMP2). The resulting fifth-order scaling methods, $\\kappa$-OOMP2 and $\\sigma$-OOMP2, have been examined for bond-breaking, thermochemistry, and biradical problems. Both methods with strong enough regularization restore restricted to unrestricted instability (i.e. Coulson"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1807.06185","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"}