BASIS-SET LIMIT VALUE FOR THE STATIC DIPOLE POLARIZABILITY OF BERYLLIUM

The static dipole polarizability (alpha) and the second dipole hyperpo larizability (gamma) for the ground state of the beryllium atom are ca lculated using the recently developed explicitly correlated (electroni c cusp corrected) coupled cluster method (CC-R12) and high quality bas is sets of Gaussian atomic functions. The CC-R12 convergence with incr easing size of the basis set of the polarizability towards the limitin g value is significantly faster than for the conventional coupled clus ter approach. The predicted values are alpha = 37.73 +/- 0.05 au and g amma = 32.0 +/- 1.0 x 10(3) au. (C) 1997 Elsevier Science B.V.