{"paper":{"title":"Calculating optical absorption spectra of thin polycrystalline films: Structural disorder and site-dependent van der Waals interaction","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Fritz Henneberger, J\\\"org Megow, Mino Sparenberg, Sylke Blumstengel, Thomas K\\\"orzd\\\"orfer, Thomas Renger, Volkhard May","submitted_at":"2014-11-11T14:14:41Z","abstract_excerpt":"We propose a new approach for calculating the change of the absorption spectrum of a molecule when moved from the gas phase to a crystalline morphology. The so-called gas-to-crystal shift $\\Delta{\\cal E}_m$ is mainly caused by dispersion effects and depends sensitively on the molecule's specific position in the nanoscopic setting. Using an extended dipole approximation, we are able to divide $\\Delta{\\cal E}_m= -Q W_{m}$ in two factors where $Q$ depends only on the molecular species and accounts for all non-resonant electronic transitions contributing to the dispersion, while $W_m$ is a sum run"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1411.2818","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"}