Cubic and quartic anharmonic potential energy functions for octahedral XY/sub 6/ molecules
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6091252
We give the cubic and quartic anharmonic potential energy functions for XY/sub 6/ molecules of O/sub h/ symmetry in terms of normal coordinates. The numbers of independent cubic and quartic potential constants are 22 and 92, respectively. A standard form, introduced here, is related to the tensor formalism developed for the potential energy of tetrahedral XY/sub 4/ molecules by Hecht.
- Research Organization:
- Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37916
- OSTI ID:
- 6091252
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 71:5; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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