Efficient methods for computing integrals in electronic structure calculations
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 ClenshawCurtis quadrature. The efficiency of the proposed methods is demonstrated through numerical experiments.
 Publication:

arXiv eprints
 Pub Date:
 April 2017
 DOI:
 10.48550/arXiv.1704.08644
 arXiv:
 arXiv:1704.08644
 Bibcode:
 2017arXiv170408644K
 Keywords:

 Condensed Matter  Materials Science;
 Mathematics  Numerical Analysis;
 Physics  Computational Physics
 EPrint:
 4 pages, 5 figures