Abinitioand MZDO wave functions for SF6
- 1 December 1970
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 19 (6), 865-870
- https://doi.org/10.1080/00268977000101871
Abstract
Two LCAOMOSCF wave functions for SF6 are derived: gaussian s, p orbitals are employed in a full ab initio computation and s, p, d Slater functions in the MZDO treatment. The two sets of results are qualitatively compared and the accuracy of the MZDO procedure is discussed.Keywords
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