TCB Publications - Abstract

TCB Publications - Abstract

Paul Tavan and Klaus Schulten. Quasiparticle excitations in polyenes and polyacetylene. In A. J. Heeger, J. Orenstein, and D. Ulrich, editors, Nonlinear Optical Properties of Polymers, volume 109 of Symposium Proceedings, pp. 163-170. Materials Research Society, Pittsburgh, 1988.

TAVA88 We apply the Pariser-Parr-Pople Hamiltonian to study many-electron excitations in polyenes and polyacetylene. The excited singlet states of polyenes, calculated by a multi-reference double excitation expansion, are classified as quasi-particle excitations, namely as triplet-triplet magnons and particle-hole excitons. From finite polyene spectra we derive approximate dispersion relations for these quasi-particles in the infinite polyene, i.e. polyacetylene.

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