GROUND-STATE CORRELATION-ENERGY OF NE

A series of basis sets and configuration interaction (CI) wave functio ns, both of which were constructed so as to systematically approach to the complete set limit and the full CI limit, were used for the groun d state of Ne. These calculations yielded an estimated correlation ene rgy of -0.3891 au, which is 99.6% of a recent theoretical estimate of -0.3905 au. The CI value, -0.3821 au, was obtained by SDCI calculation with seven reference configurations by using Slater-type orbitals (ST OS) from s to h functions. (C) 1994 John Wiley & Sons, Inc.