{"paper":{"title":"Optimized Effective Potential Using The Hylleraas Variational Method","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Keith Refson, Nikitas I. Gidopoulos, Stewart J. Clark, Tom W. Hollins","submitted_at":"2012-05-11T10:49:13Z","abstract_excerpt":"In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional theory (DFT). We present a method using density functional perturbation theory combined with the Hylleraas variational method for finding the OEP by direct minimization which avoids any sum over unoccupied states. The method has been implemented within the plane-wave, pseudopotential formalism. Band structures for zinc blende semiconductors Si, Ge C, GaAs, CdTe and ZnSe, wurtzite semiconductors InN, GaN and ZnO and "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1205.2477","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"}