A connection is ahown to exist between the eigenvalues of the matrix RTWR and the dispersion of calculated force constants. Either of these quantities can be used in automatically modifying the force field correction vector in order to improve convergence in least-squares calculations.
|Number of pages||2|
|Journal||Spectrochimica Acta Part A: Molecular Spectroscopy|
|Publication status||Published - Mar 1968|
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