SMOOTHED EIGENSTATES FROM MOLECULAR-SPECTRA

A means to understand smoothed spectral features is presented here. This technique is based on the generation of a hierarchical tree from a molecular spectrum. The tree is then used to choose superpositions of eigenstates which can be associated with smoothed features of the spectrum. These "smoothed eigenstates" allow for the assignment of spectral features. The method can be directly applied to time-independent calculations without any time evolution. It should also be useful for understanding the eigenstates of multidimensional potential surfaces without reference to any particular molecular spectrum.