Browsing University of Waterloo by Subject "Born-Oppenheimer Breakdown Correction Functions"
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Determining Analytical Potential Energy Functions of Diatomic Molecules by Direct Fitting
(University of Waterloo, 2001)The fully quantum mechanical 'direct-potential-fit' (DPF) method has become increasingly widely used in the reduction of diatomic spectra. The central problem of this method is the representation of the potential energy ...