A Finite-field Approach for $GW$ Calculations Beyond the Random Phase Approximation
Chemical Physics
2018-12-19 v2 Materials Science
Computational Physics
Abstract
We describe a finite-field approach to compute density response functions, which allows for efficient and calculations beyond the random phase approximation. The method is easily applicable to density functional calculations performed with hybrid functionals. We present results for the electronic properties of molecules and solids and we discuss a general scheme to overcome slow convergence of quasiparticle energies obtained from calculations, as a function of the basis set used to represent the dielectric matrix.
Cite
@article{arxiv.1808.10001,
title = {A Finite-field Approach for $GW$ Calculations Beyond the Random Phase Approximation},
author = {He Ma and Marco Govoni and Francois Gygi and Giulia Galli},
journal= {arXiv preprint arXiv:1808.10001},
year = {2018}
}