Direct comparison of many-body methods for realistic electronic Hamiltonians
Materials Science
2020-02-26 v2 Strongly Correlated Electrons
Abstract
A large collaboration carefully benchmarks 20 first principles many-body electronic structure methods on a test set of 7 transition metal atoms, and their ions and monoxides. Good agreement is attained between the 3 systematically converged methods, resulting in experiment-free reference values. These reference values are used to assess the accuracy of modern emerging and scalable approaches to the many-electron problem. The most accurate methods obtain energies indistinguishable from experimental results, with the agreement mainly limited by the experimental uncertainties. Comparison between methods enables a unique perspective on calculations of many-body systems of electrons.
Keywords
Cite
@article{arxiv.1910.00045,
title = {Direct comparison of many-body methods for realistic electronic Hamiltonians},
author = {Kiel T. Williams and Yuan Yao and Jia Li and Li Chen and Hao Shi and Mario Motta and Chunyao Niu and Ushnish Ray and Sheng Guo and Robert J. Anderson and Junhao Li and Lan Nguyen Tran and Chia-Nan Yeh and Bastien Mussard and Sandeep Sharma and Fabien Bruneval and Mark van Schilfgaarde and George H. Booth and Garnet Kin-Lic Chan and Shiwei Zhang and Emanuel Gull and Dominika Zgid and Andrew Millis and Cyrus J. Umrigar and Lucas K. Wagner},
journal= {arXiv preprint arXiv:1910.00045},
year = {2020}
}
Comments
Simons collaboration on the many-electron problem