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SCF LCAO MO calculation for MnO−4

✍ Scribed by Helge Johansen

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
474 KB
Volume
17
Category
Article
ISSN
0009-2614

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✦ Synopsis

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.

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