Efficient methods for computing integrals in electronic structure calculations
Materials Science
2019-04-10 v1 Numerical Analysis
Computational Physics
Abstract
Efficient methods are proposed, for computing integrals appeaing in electronic structure calculations. The methods consist of two parts: the first part is to represent the integrals as contour integrals and the second one is to evaluate the contour integrals by the Clenshaw-Curtis quadrature. The efficiency of the proposed methods is demonstrated through numerical experiments.
Cite
@article{arxiv.1704.08644,
title = {Efficient methods for computing integrals in electronic structure calculations},
author = {Hisashi Kohashi and Kosuke Sugita and Masaaki Sugihara and Takeo Hoshi},
journal= {arXiv preprint arXiv:1704.08644},
year = {2019}
}
Comments
4 pages, 5 figures