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About: Eckart conditions     Goto   Sponge   NotDistinct   Permalink

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The Eckart conditions, named after Carl Eckart, simplify the nuclear motion (rovibrational) Hamiltonian that arises in the second step of the Born–Oppenheimer approximation. They make it possible to approximately separate rotation from vibration. Although the rotational and vibrational motions of the nuclei in a molecule cannot be fully separated, the Eckart conditions minimize the coupling close to a reference (usually equilibrium) configuration. The Eckart conditions are explained by Louck and Galbraithand in Section 10.2 of the textbook by Bunker and Jensen, where a numerical example is given.