Large scale numerical investigation of excited states in poly(phenylene)

Details Large scale numerical investigation of excited states in poly(phenylene) Large scale numerical investigation of excited states in poly(phenylene)

2002-02-27

arxiv.org/abs/cond-mat/0202520v1

Physics

Condensed Matter

RevTeX, 10 pages, 4 eps figures included using epsf

Scientific paper

10.1103/PhysRevB.66.205112

A density matrix renormalisation group scheme is developed, allowing for the first time essentially exact numerical solutions for the important excited states of a realistic semi-empirical model for oligo-phenylenes. By monitoring the evolution of the energies with chain length and comparing them to the experimental absorption peaks of oligomers and thin films, we assign the four characteristic absorption peaks of phenyl-based polymers. We also determine the position and nature of the nonlinear optical states in this model.

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