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A study of Löwdin's criterion for completeness of basis sets

✍ Scribed by J. G. Leopold; M. Cohen; J. Katriel

Publisher
John Wiley and Sons
Year
1976
Tongue
English
Weight
278 KB
Volume
10
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Löwdin has formulated a useful criterion for testing the completeness of an expansion basis set. From this criterion one may obtain an incompleteness coefficient for a truncated (finite) basis set. We have investigated the significance of this incompleteness coefficient for some of the basis sets we have used in our recent calculations of bounds to quantum mechanical properties. The similarity of the convergence properties between our bounds and the incompleteness coefficient suggests that Löwdin's criterion is likely to be useful in practice.

📜 SIMILAR VOLUMES

Completeness and linear independence of
Completeness and linear independence of basis sets used in quantum chemistry
✍ Bruno Klahn; Werner A. Bingel 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 690 KB

## Abstract Infinite sets of functions in Hilbert space are characterized by their completeness properties and the extent of linear independence. Different measures of linear independence such as orthonormality, Gram's determinant, the special measure of linear independence, and the asymptotic dime