Determination of e ω , e e x ω , e B , and e α using potential energy functions for heteronuclear diatomic molecules via spreadsheet program

In order to represent the potential energy function over the whole range of R, many potential energy functions have been proposed. In the present paper, we employ many potential energy functions, to use Numerov method for solving the nuclear Schrödinger equation for the IF molecule, as an example of a heteronuclear diatomic molecules. Then we determine the spectroscopic constants e ω , e e x ω , e B , and e α of the IF molecule from vibrational and vibrationrotation levels obtained from solution of the nuclear Schrödinger equation. Finally, by comparison of obtained values with the experimental ones, their accuracy rate is determined as well as their deviation percentages from experimental values.