Journal of Chemical Physics, Vol.107, No.3, 914-919, 1997
An Accurate Potential-Energy Curve for Helium Based on Ab-Initio Calculations
Korona, Williams, Bukowski, Jeziorski, and Szalewicz [J. Chem. Phys. 106, 1 (1997)] constructed a completely ab initio potential for He-2 by fitting their calculations using infinite order-symmetry adapted perturbation theory at intermediate range, existing Green’s function Monte Carlo calculations at short range and accurate dispersion coefficients at long range to a modified Tang-Toennies potential form. The potential with retardation added to the dipole-dipole dispersion is found to predict accurately a large set of microscopic and macroscopic experimental data. The potential with a significantly larger well depth than other recent potentials is judged to be the most accurate characterization of the helium interaction yet proposed.
Keywords:2ND VIRIAL-COEFFICIENT;DISPERSION COEFFICIENTS;THERMAL-CONDUCTIVITY;TRANSPORT-PROPERTIES;WEAK-INTERACTIONS;BINDING-ENERGY;DILUTE GAS;HE-HE;TEMPERATURE;DIMER