An unusual basis set superposition error in the electric field gradient of the neon dimer calculated with bond functions

In the course of studies on the longitudinal NMR relaxation time in liquid neon-21 the electric field gradient was calculated as a function of the neon-neon distance. A basis set including bond functions applied successfully in the calculation of a pair potential showed a strong and slowly decaying basis set superposition error. The full counterpoise correction eliminated this long tail nearly completely.