Beyond the RPA on the cheap: improved correlation energies with the efficient "Radial Exchange Hole" kernel
Tim Gould · 2012 · arXiv
WASTE classifies this as Negative / Null Result Report · AI classification, approximate
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Abstract (excerpt)
The "ACFD-RPA" correlation energy functional has been widely applied to a variety of systems to successfully predict energy differences, and less successfully predict absolute correlation energies. Here we present a parameter-free exchange-correlation kernel that systematically improves absolute correlation energies, while maintaining most of the good numerical properties that make the ACFD-RPA numerically tractable. The "RXH" kernel is constructed to approximate the true exchange kernel via a carefully weighted, easily computable radial averaging. Correlation energy errors of atoms with two t
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Metadata source: arXiv