Application of the generalized potential energy function for solving the inverse spectroscopic problem: the ground-state potential of SiF +

Abstract

The previously suggested generalized potential energy function (GPEF) is used for calculation of the X 1Σ + state potential curve of SiF + from the molecular constants. The procedure of the calculations is based on the optimization of nonlinear parameters p and n of GPEF. The obtained GPEF for SiF + yields the experimental value of dissociation energy, has no nonphysical maximum, has a qualitatively correct R −4 behavior, and is more accurate than the Simons—Parr—Finlan, Thakkar, Ogilvie—Tipping and Huffaker (PMO) potentials calculated from the same set of molecular constants.