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The effect of covalency on the spin—orbit coupling constant

✍ Scribed by R. Al-Mobarak; Keith D. Warren

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
295 KB
Volume
21
Category
Article
ISSN
0009-2614

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✦ Synopsis

It is shown that the spin-orbit coupling constant, f, far a series of 3d transition metal ions may be rtkfzctoriIy evaluated using approximate double-zeta SCF functions. The radial distance dependence of [ has been calculated, and the results indicate that the reduction of 4 below the free-ion value on complex formation should be due dominantly to symmetry restricted covalency, rather than to central field effects.

📜 SIMILAR VOLUMES

Spin-orbit effect on the magnetic shield
Spin-orbit effect on the magnetic shielding constant using the ab initio UHF method
✍ Hiroshi Nakatsuji; Hajime Takashima; Masahiko Hada 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 445 KB

A calculational method is proposed for the spin--orbit effect on the magnetic shielding constant using ab initio UHF wavefunctions and the finite perturbation method. The method is applied to the 'H and ~3C magnetic shielding constants of hydrogen halides and methyl halides, respectively. When the s