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Comparison of the orbitals of Neon, Argon and Krypton calculated by the hartree-fock and the Xα methods with several values of α

✍ Scribed by R. Gáspár, Á. Nagy


Book ID
118773579
Publisher
Springer-Verlag
Year
1982
Weight
288 KB
Volume
53
Category
Article
ISSN
0001-6705

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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