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Use of Density Functional Method to Study Molecular VibrationsUse of a scale factor reduces the errors in computed vibrational frequencies (errors due to anharmonicities, basis set deficiencies, and approximate treatment of electron correlation). Additional errors come from modelling solids with small molecules. Nevertheless, we hope that the present calculations add to the understanding of surface IR measurements of the heat tiles.
Document ID
19970010151
Document Type
Other
Authors
Chong, Delano P. (British Columbia Univ. Vancouver, British Columbia Canada)
Date Acquired
August 17, 2013
Publication Date
October 1, 1996
Subject Category
Atomic and Molecular Physics
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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IDRelationTitle19970010146Analytic Primary1996 NASA-ASEE-Stanford Summer Faculty Fellowship Program
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