Diagonal vibrational matrix elements for an anharmonic oscillator |
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| Authors: | C Coquant |
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| Institution: | Laboratoire de Spectroscopie des Molecules Diatomiques E.R.A. 303, Universite des Sciences et Techniques de Lille, 59655 Villeneuve d''Ascq Cedex, France |
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| Abstract: | General expressions for the diagonal rotationless matrix elements of any power of the internuclear displacement from equilibrium are obtained for 1Σ-state diatomic molecule using an iterative relation. These expressions, including contributions arising from terms of the ninth power in the Dunham potential, are obtained in analytical form. As an application, sixth- and seventh-order contributions to the matrix element 〈0?x1?〉 are calculated for the first eight powers of the displacement. |
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