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

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Publication:2014814

DOI10.1007/S10910-014-0319-ZzbMATH Open1312.81130arXiv1409.2771OpenAlexW2047439078MaRDI QIDQ2014814FDOQ2014814


Authors: Amlan K. Roy Edit this on Wikidata


Publication date: 16 June 2014

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

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.}, H2, HF, N2, NO, O2, O2+ 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.


Full work available at URL: https://arxiv.org/abs/1409.2771




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