𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Dependence of the electric field gradient at a nucleus in a molecule on the nuclear coordinates. Part 2. Calculation of the dependence of the electric field gradient on the internuclear distance in a diatomic molecule

✍ Scribed by T. K. Rebane; A. I. Ivanov; G. I. Budanov

Book ID
118771946
Publisher
SP MAIK Nauka/Interperiodica
Year
1985
Tongue
English
Weight
320 KB
Volume
25
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Nuclear motion dependence of the electri
Nuclear motion dependence of the electric field gradient at the 9Be nucleus in BeH+
✍ Antonio C. Borin; Francisco B.C. Machado; Fernando R. Ornellas πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 409 KB

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

Many-body calculation of the electric fi
Many-body calculation of the electric field gradient in the hydrogen molecule
✍ T. Itagaki; A. Saika πŸ“‚ Article πŸ“… 1980 πŸ› John Wiley and Sons 🌐 English βš– 235 KB

## Abstract The electric field gradient in the hydrogen molecule has been calculated by diagrammatic many‐body perturbation theory (MBPT) in Gaussian basis sets. The procedure through third order in electron correlation gives a value for the field gradient of 0.34041 a.u., which is 0.8% greater tha