Answers are grounded in this paper and cite their sources.
An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. .
No takes yet. Share an insight, caveat, or question.
Schurkus et al. (2016) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: