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 language | English |
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Pages (from-to) | 1049-1056 |
Number of pages | 8 |
Journal | International Journal of Quantum Chemistry |
Volume | 10 |
Issue number | 6 |
DOIs | |
State | Published - Nov 1976 |