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) : Beckel, Charles L

PDF Url : ADA114867

Report Date : 30 Sep 1981

Pagination or Media Count : 17

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.

Descriptors :   *MOLECULAR ENERGY LEVELS, *DIATOMIC MOLECULES, *DISSOCIATION, SEPARATION, MOLECULE MOLECULE INTERACTIONS, LIMITATIONS, BROMINE, ELECTRONIC STATES, EIGENVALUES, ERRORS, REDUCTION, HYDROGEN, IODINE, GROUND STATE, NUCLEAR ENERGY LEVELS, INTERACTIONS, MOLECULAR VIBRATION

Subject Categories : Nuclear Physics & Elementary Particle Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE