Towards HF SCF value of electron affinity of SF6
- 1 February 1987
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 86 (3) , 1637-1638
- https://doi.org/10.1063/1.452205
Abstract
Adiabatic electron affinity (aEA) of SF6 was calculated on the SCF level using large basis sets on both sulfur and fluorine. The calculated value of aEA was 0.3 eV. d‐type polarization function on fluorine was shown to affect the value of aEA more than the 3d orbital on sulfur. Inclusion of f‐type function on sulfur was discussed.Keywords
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