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Highly Parallel Real-Space Random Phase Approximation Using Lanczos Quadrature and Interpolation

Haque, Abir et al.
arXiv (OAI Expanded) · Papers
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chemical-physicscomputational-physicsmaterials-science
We present a highly parallelizable, matrix-free, real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory. In particular, we avoid the explicit construction and eigen-decomposition of the response function matrix and use Lancz
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