Stochastic vertex corrections: linear scaling methods for accurate quasiparticle energies
Abstract
New stochastic approaches for the computation of electronic excitations are developed within the many-body perturbation theory. Three approximations to the electronic self-energy are considered: , , and . All three methods are formulated in the time domain and the latter two incorporate non-local vertex corrections. In case of , the vertex corrections are included both in the screened Coulomb interaction and in the expression for the self-energy. The implementation of the three approximations is verified by comparison to deterministic results for a set of small molecules. The performance fully stochastic implementation is tested on acene molecules, C and PCBM. The vertex correction appears crucial for the description of unoccupied states. Unlike conventional (deterministic) approaches, all three stochastic methods scale linearly with the number of electrons.
Keywords
Cite
@article{arxiv.1904.05524,
title = {Stochastic vertex corrections: linear scaling methods for accurate quasiparticle energies},
author = {Vojtech Vlcek},
journal= {arXiv preprint arXiv:1904.05524},
year = {2019}
}
Comments
18 pages, 5 figures