Adaptive algorithm for electronic structure calculations using reduction of Gaussian mixtures

DOI10.1098/rspa.2018.0901zbMath1472.92351arXiv1812.09284OpenAlexW3104219684MaRDI QIDQ5160686

Lucas Monzón, Gregory Beylkin, Xinshuo Yang

Publication date: 29 October 2021

Published in: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1812.09284

zbMATH Keywords

integral equationscomputational mathematicsadaptive algorithmselectronic structurecomputational chemistrymultivariate Gaussian mixturesreduction ofmultivariate mixtures

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20)

Related Items (1)

On representations of the Helmholtz Green's function

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