The ambiguity in determination of interatomic potential of diatomic molecule

T Urbańczyk, J Koperski, A Pashov
2017 Journal of Physics, Conference Series  
A method of estimation of errors of interatomic potential parameters is presented. It can be employed in order to obtain errors of parameters of analytical potentials. The method works even for correlated parameters of the interatomic potential e. g., parameters dependent on the vibrational frequency ω e ′ and anharmonicity ω e ′x e ′. Exemplary results of application of the method to interatomic potential represented by a Morse function are presented.
doi:10.1088/1742-6596/810/1/012041 fatcat:jllcj6rv4be3he35xdh37cr2qi