David E. Woon

TL;DR: In this paper, a systematic study of the basis sets required to obtain accurate correlated values for the static dipole (α1), quadrupole(α2), and octopole (β) polarizabilities and the hyperpolarizability (γ) of the rare gas atoms He, Ne, and Ar were presented.

TL;DR: In this paper, the authors used correlation consistent Gaussian basis sets from double to sextuple zeta quality to estimate the barrier height of the H+H2 exchange reaction.

TL;DR: In this article, the correlation consistent basis sets of Dunning and co-workers have been used to compute potential energy functions and spectroscopic constants for the second row diatomic hydrides of aluminum through chlorine.

TL;DR: In this article, the Hartree-Fock and correlated levels of theory using the correlation consistent sequence of basis sets were used to estimate the degree of convergence in the computed properties with respect to the complete basis set limit.

TL;DR: In this paper, a series of additional basis sets beyond the augmented correlation consistent basis sets were explored in which the diffuse region of the radial function space has been systematically saturated, in combination with the systematic expansion across angular function space which is inherent to the correlation consistent prescription, this approach guarantees very accurate atomic polarizabilities and hyperpolarizabilities.