2005/12/26 by Robert J. Bursill, Bursill, Robert J., William Barford +1
Chemistry · Engineering · Physics and Astronomy · #FOS: Physical sciences #Molecular Junctions and Nanostructures #Organic Electronics and Photovoltaics #Photochemistry and Electron Transfer Studies #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el
paper · pdf · doi:10.48550/arxiv.cond-mat/0512649
6 pages, 3 figures
arxiv created 2005/12/26 · openalex publication_date 2005/12/26 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The Pariser-Parr-Pople model of pi-conjugated electrons is solved by the density matrix renormalization group method for the light emitting polymer, poly(para-phenylene vinylene). The energies of the primary excited states are calculated. When solid state screening is incorporated into the model parameters there is excellent agreement between theory and experiment, enabling an identification of the origin of the key spectroscopic features.