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Amlan K. Roy Ro-vibrational studies of diatomic molecules in a shifted Deng–Fan oscillator potential International Journal of Quantum Chemistry 114

Version of Record online: 5 NOV 2013 | DOI: 10.1002/qua.24575

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The Deng–Fan empirical potential for diatomic molecules, also called generalized Morse potential, has interesting applications in molecular spectroscopy and calculations of electronic transitions. As the exact analytical solution of this potential for arbitrary quantum states is unknown, approximations of the nature of solutions in relativistic and non-relativistic domains need to be introduced. Here, accurate ro-vibrational states of the shifted Deng–Fan potential are obtained with a generalized pseudospectral method.

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