Self-consistent vertex corrected $GW$ with static and dynamic screening using tensor hypercontraction: assessment of molecular ionization potentials
Abstract
In this work, we benchmark tensor hypercontraction (THC)-accelerated fully self-consistent (sc) and vertex-corrected self-consistent (sc) methods for predicting molecular first ionization potentials (IPs). The vertex function, , is inserted into the self-energy in a fully self-consistent manner, and representative sc and sc variants are assessed across the and data sets. We find that the THC decomposition introduces negligible errors into self-consistent ionization potentials, indicating that the acceleration preserves the underlying fully self-consistent results. Across both benchmark sets, vertex-corrected sc methods primarily produce systematic shifts in the IPs relative to sc rather than consistent accuracy improvements. These results identify THC as a reliable route to lower-cost sc and sc calculations
Cite
@article{arxiv.2604.25581,
title = {Self-consistent vertex corrected $GW$ with static and dynamic screening using tensor hypercontraction: assessment of molecular ionization potentials},
author = {Munkhorgil Wang and Ming Wen and Pavel Pokhilko and Chia-Nan Yeh and Miguel A. Morales and Dominika Zgid},
journal= {arXiv preprint arXiv:2604.25581},
year = {2026}
}