Double-ζ LCAO SCF MO Calculations for NO2 and OF2
- 15 February 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 48 (4), 1497-1499
- https://doi.org/10.1063/1.1668869
Abstract
The ground‐state wavefunctions for NO2 − and OF2 are obtained by using the free‐atom‐ζ double‐ζ STO set in the LCAO SCF MO approximation. Comparisons are made with the corresponding minimal STO set SCF wavefunctions and, for OF2, also with a Gaussian set SCF wavefunction.Keywords
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