Optical characterization of ground states of polyacene

Abstract

We investigate the ground-state properties of polyacene in terms of an extended Peierls-Hubbard Hamiltonian with particular emphasis on its structural instability of two types: double bonds in a "cis" pattern and those in a "trans" pattern. Calculating the polarized optical conductivity spectra within and beyond the Hartree-Fock scheme, we reveal a striking contrast between the "cis" and "trans" configurations. The two Peierls-distorted states are almost degenerate in their energetics but quite distinct in their optics.

9 pages with 6 figures embedded

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Cited by in corpus (5)

• Competing Ground States of a Peierls-Hubbard Nanotube
• Correlation and confinement induced itinerant ferromagnetism in chain structures
• Photoinduced Structural Phase Transitions in Polyacene
• Polaron formation as a genuine nonequilibrium phenomenon
• Polarized Raman Response of Two-Dimensional Quasiperiodic Antiferromagnets: Configuration-Interaction versus Green's Function Approaches