English

Testing self-energy embedding theory in combination with GW

Strongly Correlated Electrons 2017-10-11 v1 Computational Physics

Abstract

We present a theoretical framework and implementation details for self-energy embedding theory (SEET) with the GW approximation for the treatment of weakly correlated degrees of freedom and configuration interactions solver for handing the strongly correlated degrees. On a series of molecular examples, for which the exact results are known within a given basis, we demonstrate that SEET(CI/GW) is a systematically improvable and well controlled method capable of giving accurate results and well behaved causal self-energies and Green's functions. We compare the theoretical framework of SEET(CI/GW) to that of GW+DMFT and comment on differences between these to approaches that aim to treat both strongly and weakly correlated simultaneously.

Keywords

Cite

@article{arxiv.1706.05774,
  title  = {Testing self-energy embedding theory in combination with GW},
  author = {Tran Nguyen Lan and Avijit Shee and Jia Li and Emanuel Gull and Dominika Zgid},
  journal= {arXiv preprint arXiv:1706.05774},
  year   = {2017}
}
R2 v1 2026-06-22T20:22:18.282Z