Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent intera ... - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/C7CP04913G

Computational Chemistry Daily, 14 Aug 2018

pubs.rsc.org - Lars Goerigk *a, Andreas Hansen b, Christoph Bauer b, Stephan Ehrlich‡ b, Asim Najibi a and Stefan Grimme *b…