Cubic scaling algorithms for RPA correlation using interpolative separable density fitting

Abstract

We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in ${\chi }^0$ by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method.

22 pages, 6 figures

References in corpus (1)

• Efficient implementation of the GW approximation within the all-electron FLAPW method

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