1. Vibronic energies and spectra of molecular dimers.
- Author
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Eisfeld, A., Braun, L., Strunz, W. T., Briggs, J. S., Beck, J., and Engel, V.
- Subjects
- *
ABSORPTION spectra , *EXCITON theory , *MOLECULAR spectroscopy , *DIMERS , *MOLECULES , *QUANTUM theory , *PHOTONS - Abstract
We consider three distinct methods of calculating the vibronic levels and absorption spectra of molecular dimers coupled by dipole-dipole interactions. The first method is direct diagonalization of the vibronic Hamiltonian in a basis of monomer eigenstates. The second method is to use creation and annihilation operators leading in harmonic approximation to the Jaynes–Cummings Hamiltonian. The adiabatic approximation to this problem provides insight into spectral behavior in the weak and strong coupling limits. The third method, which serves as a check on the accuracy of the previous methods, is a numerically exact solution of the time-dependent Schrödinger equation. Using these methods, dimer spectra are calculated for three separate dye molecules and show good agreement with measured spectra. [ABSTRACT FROM AUTHOR]
- Published
- 2005
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