Article,

Approximate analytical solutions of the stationary radial Schrödinger equation with new anharmonic potentials

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Journal of Mathematical Chemistry, 52 (5): 1364-1371 (May 2014)
DOI: 10.1007/s10910-014-0316-2

Abstract

For a high accuracy description of bond-stretching vibrations of diatomic molecules new analytic five and six-parameter potential energy functions have been proposed. These potentials include parameters that can be determined with the use of a direct fit to measured energy level spacings. The corresponding stationary radial Schrödinger equations with these potential energy functions are solved analytically, in an approximate scheme for zero total angular momentum. It is found that the wave functions for bound states can be expressed in terms of the Jacoby polynomial. The analytical expressions for purely vibrational energy levels have been derived within the algebraic approach. The potentials presented can be very useful for theoretical spectroscopic studies to reproduce the vibrational spectra of diatomic molecules.

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