Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory.

@article{Phillips2014CommunicationTD,
  title={Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory.},
  author={Jordan J Phillips and Dominika Zgid},
  journal={The Journal of chemical physics},
  year={2014},
  volume={140 24},
  pages={241101}
}
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this… CONTINUE READING