An Analysis of the Inversion of Ammonia with the Use of Intramolecular Pair Potentials.
OAKLAND UNIV ROCHESTER MICH DEPT OF CHEMISTRY
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We employ a symmetry-adaptable Taylor series in the evaluation of matrix elements which arise in a variational treatment of the inversion doubling in ammonia. With the use of realistic pairwise N-H potential energy functions, we obtain reasonable agreement with experiment. The analysis could be improved, we suggest, by considering additional degrees of freedom. Author
- Inorganic Chemistry
- Theoretical Mathematics
- Atomic and Molecular Physics and Spectroscopy