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Updated: May 21, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Ground-state and excitation spectra of a strongly correlated lattice by the coupled cluster method
1European Synchrotron Radiation Facility, BP 220, 38043 Grenoble Cedex, France.
Abstract:
The coupled cluster method is applied to a strongly correlated lattice Hamiltonian, and the coupled cluster linear response method is extended to the calculation of electronic spectra by finding an approximation to a resolvent operator which describes the spectral response of the coupled cluster solution to excitation operators. In this spectral coupled cluster method, the ground and excited states appear as resonances in the spectra, and the resolvent can be iteratively improved in selected spectral regions. The method is applied to a MnO(2) plane model which corresponds to previous experimental works.
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