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Calculation of the electric field gradient tensor from energy band structures

✍ Scribed by P. Blaha; P. Sorantin; C. Ambrosch; K. Schwarz


Book ID
111975385
Publisher
Springer
Year
1989
Tongue
English
Weight
348 KB
Volume
51
Category
Article
ISSN
0304-3843

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Near-Hartreeβ€”Fock calculation of the ele
✍ Hanspeter Huber πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 245 KB

The electric field gradient tensor at the hydrogen nucleus in water has been calcuhted in an SCF calculation with local nesr-Hartree-Fock qutity using asymmetric b&s sets. The results are in excellent agreement with results obtained by Davidson and Feller with a basis set of uniform near-Hartree-Foc