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

J. G. Leopold*, M. Cohen, J. Katriel

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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.

Original languageEnglish
Pages (from-to)1049-1056
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume10
Issue number6
DOIs
StatePublished - Nov 1976

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