{"paper":{"title":"Using a proxy state to improve the accuracy of truncated hyperpolarizability calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"physics.optics","authors_text":"Mark G. Kuzyk, Sean Mossman","submitted_at":"2018-09-04T19:30:44Z","abstract_excerpt":"We have developed a simple algorithm for defining a single proxy state which accounts for state truncation in the sum-over-states calculations of the dispersion of the molecular hyperpolarizabilities. The transition strengths between the proxy state and the truncated set of states are determined using the Thomas-Reiche-Kuhn sum rules. In addition to the sum rules, this method requires as an input the off-resonant polarizability. This proxy state method can augment experimentally determined parameters or finite-state theories to allow for a more accurate prediction of the nonlinear optical prop"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1809.01216","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"}