Distribution of electric field gradient at the nucleus for a cluster of amorphous Zr
✍ Scribed by Helena M. Petrilli; Sonia Frota-Pessôa
- Book ID
- 112743979
- Publisher
- Springer
- Year
- 1990
- Tongue
- English
- Weight
- 219 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0304-3843
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📜 SIMILAR VOLUMES
An OCE SCF calculation on HCI has been performed using P 29-ST0 basis. The electric field gradient at tic Cl nucleus is shown to arise principally from electron density very close to the Cl nucleus, as in ND', but in contrrrst to the situation in HD.
The electric field gradient (q) at the beryllium nucleus in BeH+ has been calculated as a function of the internuclear distance using the best BeH+ wavefunction available in the literature. Nuclear motion effects on q are computed as an average of q(R) over the vibrational wavefunction. It is shown