Accession Number:

ADA142373

Title:

An Analysis of the Inversion of Ammonia with the Use of Intramolecular Pair Potentials.

Descriptive Note:

Technical rept.,

Corporate Author:

OAKLAND UNIV ROCHESTER MICH DEPT OF CHEMISTRY

Personal Author(s):

Report Date:

1983-10-31

Pagination or Media Count:

8.0

Abstract:

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

Subject Categories:

  • Inorganic Chemistry
  • Theoretical Mathematics
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE