Accession Number:

ADA114867

Title:

Diatomic Molecule Properties in the Intermediate Energy to Dissociation Limit Range.

Descriptive Note:

Final technical rept. 1 Oct 76-30 Sep 81,

Corporate Author:

NEW MEXICO UNIV ALBUQUERQUE DEPT OF PHYSICS AND ASTRONOMY

Personal Author(s):

Report Date:

1981-09-30

Pagination or Media Count:

17.0

Abstract:

To permit more reliable description of diatomic molecule properties in high-energy, high-temperature environments, new functional forms have been proposed for both vibrational energy levels and potentials. These incorporate near-dissociation as well as near-equilibrium characteristics. The energy level expression was applied with considerable success to six electronic states these include ground states of hydrogen species and excited states of molecular bromine and iodine. Use of the proposed eigenvalue representation reduced errors in RKR turning-point separations by two or three orders of magnitude, very near dissociation. Rational fraction representation of potentials was attempted for eight diatomic electronic states. The eight prototype potentials offer a diversity of forms. For all eight the rational fractions yielded very high levels of accuracy. Generally a single fraction was applicable over a wide range of nuclear separations, for example, from one-half to fifty angstroms.

Subject Categories:

  • Nuclear Physics and Elementary Particle Physics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE