An ab initio potential energy surface for Ne-CO

A new ab initio two-dimensional potential energy surface for the Ne-CO inte raction is described. The surface was obtained by the supermolecule method at the CCSD(T) level of theory. It is compared with several experimental da ta sets and with the symmetry-adapted perturbation theory (SAPT) surface of Moszynski et al; [J. Phys. Chem. A 101, 4690 (1997)]. The new surface give s modestly better predictions of experimental results that depend on close approach of Ne to CO, but does not describe the ground state geometry as we ll as the SAPT surface. (C) 1999 American Institute of Physics. [S0021-9606 (99)00924-1].