Cargando…
Calculating Optical Absorption Spectra of Thin Polycrystalline Organic Films: Structural Disorder and Site-Dependent van der Waals Interaction
[Image: see text] 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 Δ[Image: see text](m) is mainly caused by dispersion effects and depends sensitively on the mo...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2015
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4360364/ https://www.ncbi.nlm.nih.gov/pubmed/25834658 http://dx.doi.org/10.1021/acs.jpcc.5b01587 |