✦ LIBER ✦
Broken-symmetry hartee-fock description of deep core and outer valence hole states: The 3dσu and 4dσu hole states of Ag2+
✍ Scribed by Marc Benard
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 792 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
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 states. but show that valence hole states are better described by a Cl expansion restricted to sin&z excitations with respect to the zeroth+rder description of the ion.