Search NASA⌕ Search

SEARCH · Search NASA

Results for “KLEIN-DUNHAM POTENTIAL”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

4 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

Theoretical intensity parameters for the vibration-rotation bands of ClO

Intensity parameters for the vibration-rotation bands of ClO were calculated by evaluating matrix elements of the vibrational eigenfunctions using the theoretical dipole moment curve. These vibrational eigenfunctions are based on realistic Klein-Dunham potentials deduced from experimental values (Coxon et al, 1976) for certain vibrational energy levels. The data can be applied to the interpretation of remote or in situ experiments to deduce stratospheric ClO concentrations from vibration-rotation absorption spectra.

Langhoff, S. R.↗
NASA NTRS1973

Radiative lifetimes and band oscillator strengths for metal oxides. II - SiO E 1 Sigma /+/-X 1 Sigma /+/

Use of an electron-beam phase-shift apparatus to obtain the radiative lifetimes for vibrational levels of the SiO E 1 Sigma (+) state. It is found that the radiative lifetimes for the vibrational transitions of the E-X band are independent of the vibrational upper state. The measured phase shifts yield cascade free lifetimes of 10.5 plus or minus 1.1 nsec for v' from 1 to 7. Spectroscopic data from Elander and Lagerqvist (1971) were used to calculate potential curves by the Klein-Dunham procedure, and Franck-Condon factors and r-centroids for the transition were computed.

Elander, N.↗
NASA NTRS1978

A theoretical study of the electronic transition moment for the C2 Swan band system

Large-scale self-consistent-field plus configuration-interaction calculations have been performed for the a 3Pi u and d 3Pi g states of C2. The theoretical potential curves are in good agreement with those found by a Klein-Dunham analysis of measured molecular constants in terms of shape and excitation energy. The sum of the squares of the theoretical transition moments between the states at 2.44 bohr is 4.12 a.u. which agrees with the results of shock tube measurements. The variation in the sum of the squares of the theoretical moments with internuclear separation agrees with the values of Danylewych and Nicholls (1974). Based on the data for C2 and mother molecules, it is suggested that CI calculations using near Hartree-Fock quality Slater basis sets produce highly reliable transition moments.

Arnold, J. O.↗