{"paper":{"title":"Combining linear interpolation with extrapolation methods in range-separated ensemble density-functional theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Bruno Senjean, Emmanuel Fromager, Erik D. Hedeg{\\aa}rd, Md. Mehboob Alam, Stefan Knecht","submitted_at":"2015-09-26T22:30:14Z","abstract_excerpt":"The combination of a recently proposed linear interpolation method (LIM) [Senjean et al., Phys. Rev. A 92, 012518 (2015)], which enables the calculation of weight-independent excitation energies in range-separated ensemble density-functional approximations, with the extrapolation scheme of Savin [J. Chem. Phys. 140, 18A509 (2014)] is presented in this work. It is shown that LIM excitation energies vary quadratically with the inverse of the range-separation parameter mu when the latter is large. As a result, the extrapolation scheme, which is usually applied to long-range interacting energies, "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1509.08033","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"}