Large scale numerical investigation of excited states in poly(phenylene)
arXiv:cond-mat/0202520 · doi:10.1103/PhysRevB.66.205112
Abstract
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.
RevTeX, 10 pages, 4 eps figures included using epsf
References in corpus (1)
Cited by in corpus (11)
- The density-matrix renormalization group
- New Trends in Density Matrix Renormalization
- The Density Matrix Renormalization Group for finite Fermi systems
- Charge-density-wave melting in the one-dimensional Holstein model
- Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations
- pi-Electron theory of transverse optical excitons in semiconducting single-walled carbon nanotubes
- Higher energy triplet-pair states in polyenes and their role in intramolecular singlet fission
- Dynamical simulations of carotenoid photoexcited states using density matrix renormalization group techniques
- Relaxation energies and excited state structures of poly(para-phenylene)
- Universality in the Photophysics of pi-Conjugated Polymers and Single-Walled Carbon Nanotubes
- Persistent Haldane Phase in Carbon Tetris Chains