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Nonempirical SCF-LCAO-MO calculations for (CH)+

โœ Scribed by N. C. Baird; D. Lemaire

Publisher
Springer
Year
1970
Tongue
English
Weight
244 KB
Volume
17
Category
Article
ISSN
1432-2234

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Ab initio SCF !\_CAO MO calculations, using gaussian-type functions and large basis sets with ncnr Hartree-Fock accuracy, have been carried out for the ground state of the permnnganate ion. The largest calculation performed ap plied 203 primitive gaussians.