Accessibility navigation

Redundant coordinates in harmonic force-field calculations

Mills, I. (1969) Redundant coordinates in harmonic force-field calculations. Chemical Physics Letters, 3 (5). pp. 269-271. ISSN 0009-2614

Full text not archived in this repository.

It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing.

To link to this item DOI: 10.1016/0009-2614(69)80226-5


Redundancy relations between vibrational coordinates may be linear (as for rectilinear coordinates used in deriving a G matrix), or non-linear (as for curvilinear coordinates used in formulating model force fields). It is shown that geometrically defined internal coordinates are necessarily curvilinear. Hence it is shown that linear force constants can occur in model force field calculations involving redundant coordinates, in disagreement with the recent proposal of Gussoni and Zerbi.

Item Type:Article
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7362

University Staff: Request a correction | Centaur Editors: Update this record

Page navigation