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={Carina Faber and Paul Boulanger and Ivan Duchemin and Claudio Attaccalite and Xavier Blase},
  journal={The Journal of chemical physics},
  year={2013},
  volume={139 19},
  pages={
          194308
        }
}
  • Carina Faber, Paul Boulanger, +2 authors Xavier Blase
  • Published 2013
  • Physics, Medicine
  • The Journal of chemical physics
  • 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… CONTINUE READING

    Figures, Tables, and Topics from this paper.

    Citations

    Publications citing this paper.
    SHOWING 1-10 OF 36 CITATIONS, ESTIMATED 77% COVERAGE

    FILTER CITATIONS BY YEAR

    2014
    2020