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Selection of configurations for SCF-CI calculations of spectral properties and comparison with TDHF calculations

✍ Scribed by John W. Downing; Josef Michl; Poul Jørgensen; Erik W. Thulstrup

Publisher
Springer
Year
1974
Tongue
English
Weight
848 KB
Volume
32
Category
Article
ISSN
1432-2234

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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