How to Improve Functionals in Density Functional Theory? ---Formalism and Benchmark Calculation---
Chemical Physics
2020-12-24 v1 Strongly Correlated Electrons
Nuclear Theory
Atomic Physics
Computational Physics
Abstract
We proposed in Ref. [arXiv:1812.09285v2] a way to improve energy density functionals in the density functional theory based on the combination of the inverse Kohn-Sham method and the density functional perturbation theory. In this proceeding, we mainly focus on the results for the and atoms.
Keywords
Cite
@article{arxiv.1908.09063,
title = {How to Improve Functionals in Density Functional Theory? ---Formalism and Benchmark Calculation---},
author = {Tomoya Naito and Daisuke Ohashi and Haozhao Liang},
journal= {arXiv preprint arXiv:1908.09063},
year = {2020}
}
Comments
International Nuclear Physics Conference 2019 (INPC2019)