The concept of the integrated inverse spectral problem is discussed. F
orce constants and electro-optical parameters of molecules and half-wi
dths of spectral bands may be simultaneously determined as a result of
solving this problem. A novel expression based on the correlation fac
tor and penalty function is offered as a solution to the problem. Opti
mal parameters are attained upon achievement of the maximum of the fun
ction. A quantitative measure of the similarity between theoretical an
d experimental spectra is obtained simultaneously with the search for
optimal parameters.