Systematic Gaussian basis-set limit using completeness-optimized primitive sets. A case for magnetic properties
We discuss the connection between the completeness of a basis set, measured by the completeness profiles introduced by Chong (Can J Chem 1995, 73, 79) at a certain exponent interval, and the possibility of reproducing molecular properties that arise either in the region close to the atomic nuclei or...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 4 vom: 20. März, Seite 434-45 |
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| Format: | Aufsatz |
| Sprache: | English |
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2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Water 059QF0KO0R Ammonia 7664-41-7 Methane OP0UW79H66 Hydrofluoric Acid RGL5YE86CZ |