ON ELECTRON CORRELATION OF NACL2

摘要

This article reports the intrapair and interpair electron correlation energies of the radical NaCl2. 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. (C) 1995 John Wiley and Sons, Inc. [References: 19]