Using Genetic Algorithm for quick nding of diatomic molecule potential parameters

Using Genetic Algorithm (GA) for determination of parameters of an analytical potential energy curve (PEC) of diatomic molecule is presented. The main goal of the presented GA is to provide so-called starting potential for Inverse Perturbation Approach (IPA) method. GA was tested on two artificially generated datasets which base on potentials with known characteristics and two experimental spectra of transitions in CdKr and CdAr molecules. Tests on generated datasets showed that GA can properly reproduce parameters of the potentials. Tests on experimental spectra indicated that the potentials returned by GA are in higher agreement with experimental data than those represented using the Morse function that is frequently used as a starting potential in IPA method.