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Numerical Generation of Optimized Discrete Variable Representations

We develop a procedure for calculating an optimized Discrete Variable Representation (DVR) optimized for a given potential. The method leads to an efficient and compact way to obtain numerical solutions of quantum mechanical problems. The procedure is applied to several physical problems. To illustrate the strength of the algorithm in dealing with multidimensional calculations, we obtain accurate levels up to 19,000 cm-1 for the vibrational energies of the water molecule.


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