Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc-Zn.

By N. Balabanov, Kirk A. Peterson. Journal of Chemical Physics, 2005

1,279 citations recorded by the source corpus.

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

ExoMol line lists – XVIII. The high-temperature spectrum of VO (2016, background): “…configuration interaction (icMRCI) (Knowles & Werner 1988; Werner & Knowles 1988; Knowles & Werner 1992) level of theory with the large aug-cc-pVQZ basis set (Dunning 1989; Balabanov & Peterson 2005) which incorporates diffuse functions to accurately describe the electronically excited states.”
The effect of pH on the U(VI) sorption on graphene oxide (GO): A theoretical study (2018, methodology): “The effective core potential and basis set of Stuttgart-Dresden-Bonn group [31] were chosen to describe U atom, while the cc-pVDZ was applied for describing the light atoms (C, H and O).”