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Linearization of the interaction principle: Analytic Jacobians in the “Radiant” model

✍ Scribed by R.J.D. Spurr; M.J. Christi


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
266 KB
Volume
103
Category
Article
ISSN
0022-4073

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The Jacobian method in the refinement of force constants is studied. Theoretical and experimental frequencies and other observables, v,, are matched by minimizing Z,w,( v,'"Pv:h)2, where s = 1,2,3, . . . , proceeds over all normal modes and isotopes, and w, are weighting factors. Modification of the