CBS extrapolation in electronic structure pushed to the end: a revival of minimal and sub-minimal basis sets

Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02932F, PaperA. J. C. Varandas The complete basis set (CBS) limit is secluded in calculations of electronic structure, and hence CBS extrapolation draws immediate attention. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - August 16, 2018 Category: Chemistry Authors: A. J. C. Varandas Source Type: research