Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4967125 | Journal of Computational Physics | 2017 | 16 Pages |
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 Ï0 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.
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Physical Sciences and Engineering
Computer Science
Computer Science Applications
Authors
Jianfeng Lu, Kyle Thicke,