The ambiguity in determination of interatomic potential of diatomic molecule


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 ωe′ and anharmonicity ωe′xe′. Exemplary results of application of the method to interatomic potential represented by a Morse function are presented.

Autorzy / Authors: 
T. Urbańczyk, J. Koperski, A. Pashov
J. Phys. Conf. Series 810, 012041
Tematyka badań: 
Spektroskopia laserowa
Spektroskopia cząsteczek