Vibration-rotation operators of the formq2J2
- 1 February 1976
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 31 (2) , 491-500
- https://doi.org/10.1080/00268977600100371
Abstract
The method of contact transformations is used to derive a general expression for those terms in the vibration-rotation hamiltonian which have two powers of vibrational operators and two of rotational operators. The specialization of this expression to the particular case of diagonal operators, i.e. those with both vibrational factors referring to the same or to degenerate normal modes, is discussed in detail. Examples of off-diagonal operators are also given. The usefulness of such terms in yielding information about the vibrational force field is discussed, with particular reference to the water, methane and silance molecules.Keywords
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