The wave equation of a nonlinear triatomic molecule and the adiabatic correction to the Born–Oppenheimer approximation
- 15 July 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 67 (2) , 593-603
- https://doi.org/10.1063/1.434860
Abstract
The wave equation for a nonlinear polyatomic molecule is formulated in molecule‐fixed coordinates by a method originally due to Hirschfelder and Wigner. Application is made to a triatomic molecule, and the wave equation is explicitly presented in a useful molecule‐fixed coordinate system. The formula for the adiabatic correction to the Born–Oppenheimer approximation for a triatomic molecule is obtained. The extension of the present formulation to larger polyatomic molecules is pointed out. Some terms in the triatomic molecule wave equation are discussed in detail.Keywords
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