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X-ray scattering factors of oxygen and sulfur ions: an abinitio Hartree–Fock calculation

✍ Scribed by Azavant, P. ;Lichanot, A.

Book ID
114513618
Publisher
International Union of Crystallography
Year
1993
Tongue
English
Weight
698 KB
Volume
49
Category
Article
ISSN
0108-7673

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✍ 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