Genetic Algorithm for quick finding of diatomic molecule potential parameters

Application of Genetic Algorithm (GA) for determination of parameters of an analytical representation of diatomic molecule potential is presented. GA can be used for finding potential characteristics of an electronic energy state which can be described by an analytical function. GA was tested on two artificially generated datasets which base on potentials with known characteristics and two laser induced fluorescence excitation spectra recorded using 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 changing the potential model from a Morse, which is frequently used as a starting potential in the inverse perturbation approach method, to an expanded Morse oscillator leads to noticeable improvement of agreement between simulated and experimental data.