Basis sets for the 1s2 ground states of two-electron rare gas ions

This file contains the exponents of Gaussian basis functions optimized in the Dirac-Coulomb approximation for the two-electron ions of the rare gases, He, Ne, Ar, Kr, Rn, and Og. The basis sets are of double-zeta (2z) to septuple-zeta (7z) quality, and include correlating sets:1p (2z), 2p1d (3z), 3p2d1f (4z), 4p3d2f1g (5g), 5p4d3f2g1h (6z), and 6p5d4f3g2h1i (7z). The basis sets are included with the DIRAC program.

{"references": ["A. Almoukhalalati, S. Knecht, H. J. Aa. Jensen, K. G. Dyall and T. Saue, Electron correlation within the relativistic no-pair approximation. J. Chem. Phys. 145, 074104 (2016)."]}

Keywords

two-electron ions, relativistic, Gaussian basis set

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average