Expectation values of the kinetic and potential energy of a diatomic molecule
- 1 May 1973
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 58 (9), 3867-3870
- https://doi.org/10.1063/1.1679741
Abstract
Simple semiclassical expressions for expectation values of the kinetic and potential energy are given. These expressions allow determination of the expectation values directly from the vibrational energy levels alone (without quadrature) and are in excellent agreement with exact quantum mechanical results for even the lightest of diatomics (H2).Keywords
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