Assessment of the convergence of partially self-consistent BSE/GW calculations

@inproceedings{Jacquemin2016AssessmentOT,
  title={Assessment of the convergence of partially self-consistent BSE/GW calculations},
  author={Denis Jacquemin and Ivan Duchemin and Xavier Blase},
  year={2016}
}
  • Denis Jacquemin, Ivan Duchemin, Xavier Blase
  • Published 2016
  • Chemistry
  • ABSTRACTThe most applied ab initio method to determine the transition energies to electronically excited states, namely time-dependent density functional theory (TD-DFT), is now well mastered, but alternative approaches can be necessary to circumvent some of the specific limitations of TD-DFT. In that framework, the Bethe–Salpeter method, following a GW calculation of quasiparticle energies, is certainly an attractive approach with the same scaling with system size as TD-DFT, though its… CONTINUE READING

    Create an AI-powered research feed to stay up to date with new papers like this posted to ArXiv

    Citations

    Publications citing this paper.
    SHOWING 1-6 OF 6 CITATIONS

    Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals

    • Chi Liu, Jan Kloppenburg, +4 authors Blum
    • 2019