Approximateab initiocalculations on polyatomic molecules. II
- 1 September 1969
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 17 (3) , 271-279
- https://doi.org/10.1080/00268976900101021
Abstract
A new method of molecular wave-function calculation, which combines the advantages of Slater and gaussian orbitals, is presented. The method is applied to a selection of small molecules displaying σ, π and ‘three-centre’ bonds.Keywords
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