On the evaluation of cartesian symmetry coordinates in molecular vibrations |
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| Authors: | M. Gussoni and G. Dellepiane |
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| Affiliation: | Istituto di Chimica delle Macromolecole del CNR, Via Alfonso Corti, 12-20133 Milano, Italy |
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| Abstract: | A method for evaluating internal symmetry coordinates recently proposed by the authors uses the diagonalization of the G matrix. It is shown in the present note how to find a suitable matrix to be diagonalized in order to obtain cartesian symmetry coordinates, even when the point group of the molecule is unknown. |
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