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Gaussian representations of charge overlap effects in intermolecular forces

✍ Scribed by A. Riera; W. J. Meath


Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
399 KB
Volume
6
Category
Article
ISSN
0020-7608

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The reliability of modeling ions or polar molecules by point charges is investigated from the point of view of possible nonphysical variational distortions of the molecular wavefunction. Mathematical and observable-based criteria are given to monitor the extent of variational distortions. A model sy