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arxiv: 1409.2771 · v1 · pith:VCLKZ6PCnew · submitted 2014-09-08 · ⚛️ physics.chem-ph

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

classification ⚛️ physics.chem-ph
keywords potentialstatesmoleculesoscillatorresultsro-vibrationaltietz-huaaccuracy
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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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