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Ro-vibrational spectroscopy of molecules represented by a Tietz-Hua oscillator potential

Published 8 Sep 2014 in physics.chem-ph | (1409.2771v1)

Abstract: Accurate low and high-lying bound states of Tietz-Hua oscillator potential are presented. The radial Schr\"odinger equation is solved efficiently by means of the generalized pseudospectral method that enables optimal spatial discretization. Both $\ell=0$ and rotational states are considered. Ro-vibrational levels of six diatomic molecules \emph{viz.}, H$_2$, HF, N$_2$, NO, O$_2$, O$_2+$ are obtained with good accuracy. Most of the states are reported here for the first time. A detailed analysis of variation of eigenvalues with $n, \ell$ quantum numbers is made. Results are compared with literature data, wherever possible. These are also briefly contrasted with the Morse potential results.

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