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Approximation schemes satisfying Shapiro’s Theorem

✍ Scribed by J.M. Almira; T. Oikhberg


Book ID
113681680
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
409 KB
Volume
164
Category
Article
ISSN
0021-9045

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Floating functions satisfying the hellma
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## Abstract The electrostatic calculation for molecules using approximated variational wave functions leads to well known difficulties connected with the application of the Hellmann‐Feynman (HF) theorem. This is due to the basis set inadequacies in the underlying calculations. This defect can easi