An interatomic potential for mercury dimer

The potential energy curve of the ground electronic state of the Hg dimer h as been calculated using the CCSD(T) procedure and relativistic effective c ore potentials. The calculated binding energy (0.047 eV) and equilibrium se paration (3.72 Angstrom) are in excellent agreement with experiment. A vari ety of properties, including the second virial coefficient, rotational and vibrational spectroscopic constants, and vibrational energy levels, have be en calculated using this interatomic potential and agreement with experimen t is good overall. (C) 2001 American Institute of Physics.