Temperature dependence of electric field gradients at the nucleus of adsorbed alkali-metal atoms
β Scribed by M. Bickert; Manfred Riehl-Chudoba; W. Widdra; D. Fick
- Publisher
- Elsevier Science
- Year
- 1991
- Weight
- 73 KB
- Volume
- 258
- Category
- Article
- ISSN
- 0167-2584
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π SIMILAR VOLUMES
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
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.