pith. sign in

arxiv: 1704.08644 · v1 · pith:JASG6HUXnew · submitted 2017-04-27 · ❄️ cond-mat.mtrl-sci · cs.NA· math.NA· physics.comp-ph

Efficient methods for computing integrals in electronic structure calculations

classification ❄️ cond-mat.mtrl-sci cs.NAmath.NAphysics.comp-ph
keywords integralsmethodscalculationscomputingcontourefficientelectronicproposed
0
0 comments X
read the original 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.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.