SECOND ORDER DETERMINATION OF THE VIBRATIONAL POTENTIAL OF $CO_{2}$ USING EFFECTIVE NORMAL COORDINATED

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1992

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Ohio State University

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Abstract

Due to the large value of the coefficient k133 appearing in the cubic potential, the perturbation calculation of energy levels of co2 exhibits a good convergence1 only for very small values of the quantum number v3. This situation can be improved by using Effective Normal Coordinates (ENC)2 which depend upon the value of v3. We present a second order calculation of the potential from the experimental energy levels, using a ENC inversion technique recently developped3. The results will be compared with those obtained by other methods.

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1.J. Bord'{e}, Mol. Phys. 32, 1027 (1976) 2.G. Amat, Chem. Phys. 71, 363 (1982) 3.G. Amat, J. Phys II France 2, 147 (1992)


Author Institution: Amat: L.P.M.A, Universit'{e} P . & M. Curie et C.N.R.S.; Department of Physics, Cairo University

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