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Broken orbital symmetry and the description of valence hole states in the tetrahedral [CrO4]2−anion

✍ Scribed by R. Broer; W. C. Nieuwpoort

Publisher
Springer
Year
1988
Tongue
English
Weight
713 KB
Volume
73
Category
Article
ISSN
1432-2234

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✍ Marc Benard 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 792 KB

## Symmetry-adapted and brokensymmetry Hartree-Fock and Cl calculations ha\ e been carried out on the 3doU and 3dou hole states of Ag$ at various distances. The &?ek-Paldus doublet stability problem is investigated. Calculations confirm Ihe reliability of brokensymmetry solutions for core hole sta