6533b857fe1ef96bd12b3885
RESEARCH PRODUCT
Symmetry of molecular properties
F. MichelotT. Schwartzmannsubject
PhysicsSymmetry operationBiophysicsRotational symmetryRotational–vibrational spectroscopyCondensed Matter PhysicsSymmetry (physics)Explicit symmetry breakingQuantum mechanicsMolecular symmetryTensorCircular symmetryPhysical and Theoretical ChemistryMolecular BiologyMathematical physicsdescription
The symmetry of coefficients in the expansion of a given molecular property are shown to be obtainable through well defined tensor methods. The analytical expansions required of various vibrational and rotational tensors are given up to the fourth degree in dynamical variables. To illustrate the method, some rovibrational properties of spherical tops are considered. The symmetry of the associated molecular constants is expressed, simultaneously, for XY4 and XY6 molecules, by algebraic relations involving the independent constants and the coupling symbols of the molecular symmetry group. To allow comparisons, some examples are given for which the symmetry of the constants has been published already in the form of tables; the more complicated cases of the third order ℒ tensor elements and of the quintic potential derivatives are also considered.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-12-20 | Molecular Physics |