{"paper":{"title":"Efficient many-body calculations of 2D materials using exact limits for the screened potential: Band gaps of MoS$_2$, hBN, and phosphorene","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Filip A. Rasmussen, Kirsten T. Winther, Kristian S. Thygesen, Per S. Schmidt","submitted_at":"2015-10-31T14:18:23Z","abstract_excerpt":"Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong $\\mathbf{q}$-dependence of the 2D dielectric function around $\\mathbf{q} = \\mathbf{0}$ that calls for a much denser sampling of the Brillouin zone than is necessary for similar 3D solids. Here we use an analytical expression for the small $\\mathbf{q}$-limit of the 2D response function to perform the BZ integral over the critical region around $\\mathbf{q} = \\mathbf{0}$. This drastically r"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1511.00129","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"}