PROPAGATION OF MOLECULAR-CONSTANT VARIATIONS INTO FRANCK-CONDON TYPE INTEGRALSстатья
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Аннотация:Approximate analytical expressions connecting statistical variations in rotational-vibrational molecular constants (Be, omega e and omega eXe) with changes in Franck-Condon type integrals f(n,m) = [chi(n)\textbackslashf\textbackslashchi(m)] and the matrix elements of the form r(n,m)(k) = [chi(n)\textbackslashr(k)\textbackslashchi(m)]/[chi(n)/chi(m)] have been obtained by applying the rules of error propagation to Morse and Morse-Pekeris oscillator models of internuclear potential. The accuracy of the formulae are tested on the A - X and B - X systems of CO molecule by comparing with exact numerical results. The validity conditions for resulting relations as well as the opportunity to use them in the case of RKR potential model are discussed.