{"paper":{"title":"A Semi-smooth Newton Method for Solving Semidefinite Programs in Electronic Structure Calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph","quant-ph"],"primary_cat":"math.OC","authors_text":"Chao Yang, Yaxiang Yuan, Yongfeng Li, Zaiwen Wen","submitted_at":"2017-08-27T03:42:44Z","abstract_excerpt":"The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron wavefunctions. This problem can be formulated as a semidefinite programming problem. Due the large size of the problem, the well-known interior point method can only be used to tackle problems with a few atoms. First-order methods such as the the alternating direction method of multipliers (ADMM) have much lower computational cost per iteration. However, thei"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1708.08048","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"}