$GW$ vertex corrected calculations for molecular systems
Materials Science
2017-08-17 v2
Abstract
Hedin's scheme is solved with the inclusion of the vertex function () for a set of small molecules. The computational scheme allows for the consistent inclusion of the vertex both at the polarizability level and in the self-energy. A diagrammatic analysis shows that the self-energy formed with this four-point vertex does not lead to double counting of diagrams, that can be classified as direct "bubbles" and exchange diagrams. By removing the exchange diagrams from the self-energy, a simpler approximation is obtained, called . Very good agreement with expensive wavefunction-based methods is obtained for both approximations.
Cite
@article{arxiv.1706.01815,
title = {$GW$ vertex corrected calculations for molecular systems},
author = {Emanuele Maggio and Georg Kresse},
journal= {arXiv preprint arXiv:1706.01815},
year = {2017}
}
Comments
27 pages, 8 figures