Quantum chemical investigation of the ArCHI interaction potential. Steepness and asymmetry with implications for energy transfer
Self-consistent field ab initio calculations using a previously published, optimized basis set [J. Chem. Phys. 94 (1991) 6677] and second-order Møller-Plesset (MP2) perturbation theory are used in a study of the ArHCl intermolecular potential. The ab initio results are compared to the recently published H6(4, 3, 0) potential-energy surface [J. Phys. Chem. 96 (1992) 4237]. Good agreement is obtaine