Adiabatically reduced coupled equations for intramolecular dynamics calculations

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Abstract
‘‘Adiabatically reduced’’ coupled equations are derived to obtain an approximate quantum mechanical solution for the dynamics of nonstationary states in isolated polyatomic molecules. Under suitable conditions, the number of such equations is considerably less than the number of coupled equations needed in practice for the exact calculation. The relationship of the present technique to several other methods, including the partitioning method, is discussed, and specific applications of the present treatment are given.