NUMERICAL METHOD FOR TREATING HIGH ORDER ROTATION-VIBRATION ENERGIES OF POLYATOMIC MOLECULES.
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Abstract
Successive contact transformations are applied to the Darling-Dennison Hamiltonian expansion and the vibrational diagonalization is performed. A convenient numerical method is developed whereby resonant interactions and states can be excluded from the diagnoalization, these states subsequently being given an exact treatment. This method has been carried out to yield the diagonal and off---diagonal elements of the coefficients of angular momenta
Description
Author Institution: Air Force Cambridge Research Laboratories (CROI), L. G. Hanscom Field; Acorn Park, Cambridge