| Literature DB >> 26801012 |
Henry F Schurkus1, Christian Ochsenfeld1.
Abstract
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. .Year: 2016 PMID: 26801012 DOI: 10.1063/1.4939841
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488