THEORETICAL DETERMINATION OF $H_{2}$ GROUND STATE SPECTROSCOPIC CONSTANTS
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Date
1972
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Ohio State University
Abstract
The $H_{2}$ ground state potential has been recalculated in double precision by Kolos and $Wolniewicz^{1}$ using a 100-term electronic wave-function. Dunham coefficients $a_{i}$ for this potential are here determined. From these $a_{i}$ Born-Oppenheimer spectroscopic constants $Y_{\ell j}$ are found. Adiabatically corrected $Y_{\ell j}$ are also calculated. Difficulties resulting from reliance on the virial theorem are described. From Kolos-Wolniewicz vibration-rotation eigenenergies theoretical values of $B_{v}$, $D_{v}$, and $H_{v}$ are determined. The theoretical $Y_{\ell j}, B_{v}, D_{v}$, and $H_{v}$ are compared with experimental values.
Description
$^{1}$ W Kolos and L. Wolniewicz, J. Chem. Phys. 49, 404 (1968).""
Author Institution: Department of Physics, and Astronomy, The University of New Mexico
Author Institution: Department of Physics, and Astronomy, The University of New Mexico