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§ Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, United States ∥ Centre for Theoretical and Computational Chemistry, ...

Abstract: In this study we develop a numerical method for evaluation of hypersingular surface integrals, which arise in the solution of electric field integral equation (EFIE) via Nyström method. Due ...

A new family of numerical integration formula is presented, which uses the function evaluation at the midpoint of the interval and odd derivatives at the endpoints. Because the weights for the odd ...

For gradients, the RDMs are contracted against the conventional derivative integrals, not the density fitted derivative integrals. Due to a subtle point in the derivation, the DF-DCT cumulant ...