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Hartree–Fock atomic scattering factors for the iron transition series

✍ Scribed by Watson, R. E. ;Freeman, A. J.


Book ID
114518074
Publisher
International Union of Crystallography
Year
1961
Tongue
English
Weight
991 KB
Volume
14
Category
Article
ISSN
0365-110X

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Ab initio Hartree–Fock and multiple-scat
✍ Sven Larsson; Michael Hehenberger; Paulo Corrêa De Mello 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 366 KB

## Abstract __Ab initio__ Hartree–Fock and multiple‐scattering wave functions are calculated for linear CuF~2~. These wave functions are used to calculate the spin–orbit coupling in a new way where the neglect of two‐ and many‐center terms is avoided and where experimental or calculated spin–orbit