Berlin 2005 – wissenschaftliches Programm
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CPP: Chemische Physik und Polymerphysik
CPP 29: POSTER: Polymer physics
CPP 29.29: Poster
Dienstag, 8. März 2005, 16:30–18:30, Poster TU D
An Analytical Derivation of the Polarisation P(t) in Organic Molecular Aggregates — •Annetraud Scheuing and Peter Reineker — Theoretische Physik, Universität Ulm, D-89069 Ulm
We start with a Hamiltonian which comprises onsite, transfer and generalized Hubbard electron-electron-interactions plus a linear electron-phonon-interaction. In principle any number of sites i and excitations ν are allowed. Specializing to the dimer problem, we derive a matrix equation for the Eigenstates and Eigenvectors, which has to be solved numerically. Regarding the general electronic sub-Hamiltonian coupled to an electric field HF, the expression for the polarisation P(t) is derived analytically. For numerical evaluation of P(t) the lowest Eigenvalue and Eigenstates of the matrix equation have to be used.