An accurate interaction potential for neon dimer (Ne2)

The most elaborate ab initio potential of Ne-2 that is available from the literature [S.M. Cybulski, R.R. Toczylowski, J. Chem. Phys. 111 (1999) 10520] is carefully corrected for: (i) the neglect of core-core and core-valence correlation; (ii) basis set incompleteness; (iii) contributions of clusters missing in CCSD(T); and (iv) relativistic effects. These corrections have only a small influence on the potential, e.g., D-c and R-c are increased by 0.3 cm(-1) and 0.002 Angstrom. The molecular constants that are derived from the corrected potential are close to those that have been obtained from experiments, but the former are presumably more accurate. (C) 2001 Elsevier Science B.V. All rights reserved.