A NEW METHOD FOR CALCULATING THE ROVIBRATIONAL STATES OF POLYATOMICS WITH APPLICATION TO WATER DIMER
A new method is developed for calculating the lowest few rovibrational states of polyatomic molecules, using the discrete variable representation (DVR). The method is an extension to the diagonalization-truncation procedure which has been used in most DVR calculations to date. It starts with a set o...
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| Médium: | Journal article |
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1995
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