Efficient Total Energy Calculations from Self-Energy Models
Condensed Matter
2009-10-31 v1
Abstract
We propose a new method for calculating total energies of systems of interacting electrons, which requires little more computational resources than standard density-functional theories. The total energy is calculated within the framework of many-body perturbation theory by using an efficient model of the self-energy, that nevertheless retains the main features of the exact operator. The method shows promising performance when tested against quantum Monte Carlo results for the linear response of the homogeneous electron gas and structural properties of bulk silicon.
Cite
@article{arxiv.cond-mat/0012111,
title = {Efficient Total Energy Calculations from Self-Energy Models},
author = {Paula Sanchez-Friera and R. W. Godby},
journal= {arXiv preprint arXiv:cond-mat/0012111},
year = {2009}
}
Comments
5 pages, 2 Figures. To appear in Physical Review Letters