Low-Scaling Algorithms for GW and Constrained Random Phase Approximation Using Symmetry-Adapted Interpolative Separable Density Fitting
Chia-Nan Yeh,
Miguel A. Morales
Abstract:We present low-scaling algorithms for GW and constrained random phase approximation based on a symmetryadapted interpolative separable density fitting (ISDF) procedure that incorporates the space-group symmetries of crystalline systems. The resulting formulations scale cubically, with respect to system size, and linearly with the number of k-points, regardless of the choice of single-particle basis and whether a quasiparticle approximation is employed. We validate these methods through comparisons with publish… Show more
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