Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry (Q740811)

Approximation errors are studied for Gaussian approximations, that is, approximations using Gaussian-type orbitals. The error estimates apply to approximands from \(H^1\) spaces of three real variables. The appealing feature of these approximations are mainly their immediate motivations from physical sciences and molecular simulations. The error estimates are illustrated by several numerical computations.