Optical excitations in a paradigmatic model dipeptide

dipeptideWe just post on arxiv a new paper on the optical excitations in a paradigmatic model dipeptide, here in the figure. We studied local and charge transfer excitations by means of state of the art GW and Bethe-Salpeter equations as implemented in the FIESTA code. In particular we focused on the effect of self-consistency in GW, both eigenvalues and eigenvectors and compared our results with the ones obtained by quantum chemistry methods.

Reference:
Many-body Green’s function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

Carina Faber, Paul Boulanger, Ivan Duchemin, Claudio Attaccalite, Xavier Blase
http://arxiv-web3.library.cornell.edu/abs/1309.0646

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