On electron correlation in NaCl₂

Abstract

Abstract This article reports the intrapair and interpair electron correlation energies of the radical NaCl 2 . The total interpair correlation energy dominates. Hence, the interpair electron correlation energy must be considered in building models for correcting computed correlation energies. The 6‐311+G* basis set recovers only 32% of the total estimated correlation energy and 44% of this amount came from the core electrons. © 1995 John Wiley & Sons, Inc.