On the asymmetry parameter and the principal directions of the electric field gradient tensor in NQR spectroscopy

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Abstract
The asymmetry parameter η of the electric field gradient tensor having reflection symmetry is discussed for spn hybridized atoms. It is shown that in this case η is a function of a single variable, which depends on the degree of hybridization and the occupation numbers of the hybrids. The model provides a physical picture for the various possible values of η as well as closed expressions for the occupation numbers. Two specific cases, sp 3 and sp 2, are discussed in detail.