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A variation-diminishing generalized spline approximation method

✍ Scribed by Samuel Karlin; John M Karon


Publisher
Elsevier Science
Year
1968
Tongue
English
Weight
605 KB
Volume
1
Category
Article
ISSN
0021-9045

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## Abstract We present a general mathematical model that can be used to improve almost all fragment‐based methods for __ab initio__ calculation of total molecular energy. Fragment‐based methods of computing total molecular energy mathematically decompose a molecule into smaller fragments, quantum‐m