QUADRATURE PROCEDURE FOR CALCULATING HIGHER-ORDER RKR POTENTIAL CURVES

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1979

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Ohio State University

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Abstract

As a generalization of the familiar quadrature form of the RKR method, an interactive inversion procedure for determining diatomic molecule potential energy curves has been developed which is based on the higher-order JWKB quantization condition. A description of the method and of its application to the ground state of CO will be presented.

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