Efficient methods for computing integrals in electronic structure calculations
For computational chemists and physicists, this provides a potentially faster way to compute integrals, but the improvement is incremental and lacks concrete performance numbers.
The paper proposes efficient methods for computing integrals in electronic structure calculations by representing them as contour integrals and evaluating them via Clenshaw-Curtis quadrature, with numerical experiments demonstrating efficiency.
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.