Interaction potential in¹Σ_g⁺Hg₂: fit to the experimental data

Abstract

The interaction potential between two ground state (61S0) mercury atoms is found from the available measurements of transport and second virial coefficients by means of a procedure for solving ill-posed problems. Three analytical forms of the potential: (n,6), (exp,6) and Morse are used and values of their parameters found which are in good agreement with eleven experimental works. A generalised potential including dipole and quadrupole interactions is built up. A generalised potential including dipole and quadrupole interactions is built up. Other data such as the van der Waals constant, spectroscopic measurements of dimer concentration and solid-state parameters are also considered. The recommended values for 1 Sigma g+Hg2 are: equilibrium distance rm=2.92+or-0.06 AA, potential well depth (energy of binding) epsilon =0.112+or-0.006 eV, vibration frequency nu e=44+or-4 cm-1 and anharmonicity x=0.012+or-0.002.