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

@article{Faber2013ManybodyGF,
  title={Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide.},
  author={C. Faber and P. Boulanger and I. Duchemin and C. Attaccalite and X. Blase},
  journal={The Journal of chemical physics},
  year={2013},
  volume={139 19},
  pages={
          194308
        }
}
We study within the many-body Green's function GW and Bethe-Salpeter formalisms the excitation energies of a paradigmatic model dipeptide, focusing on the four lowest-lying local and charge-transfer excitations. Our GW calculations are performed at the self-consistent level, updating first the quasiparticle energies, and further the single-particle wavefunctions within the static Coulomb-hole plus screened-exchange approximation to the GW self-energy operator. Important level crossings, as… Expand
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