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Application of minimization methods in calculating atoms with several open shells

✍ Scribed by Yu. B. Malykhanov; S. A. Romanov

Publisher
SP MAIK Nauka/Interperiodica
Year
2005
Tongue
English
Weight
107 KB
Volume
46
Category
Article
ISSN
0022-4766

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## Abstract The performance of a recently proposed scaled one‐electron Hamiltonian (SOEH) model is tested against parallel sets of restricted open‐shell calculations by the method of Roothaan. It is found that the energy calculated by SOEH model, in general, lies slightly higher than the energy com