A series of tensors is defined to describe the response to external electric and magnetic fields of the electric field gradient at a nucleus in a molecule. Perturbation expressions, symmetry relations and exact results for the hydrogen atom are given. The new tensors are related to derivatives of electric field shieldings with respect to motion of a test point through an electron distribution.
The Theory of Sternheimer Shielding in Molecules in External Fields / P. W., Fowler; Lazzeretti, Paolo; E., Steiner; R., Zanasi. - In: CHEMICAL PHYSICS. - ISSN 0301-0104. - STAMPA. - 133:(1989), pp. 221-235. [10.1016/0301-0104(89)80203-4]
The Theory of Sternheimer Shielding in Molecules in External Fields
LAZZERETTI, Paolo;
1989
Abstract
A series of tensors is defined to describe the response to external electric and magnetic fields of the electric field gradient at a nucleus in a molecule. Perturbation expressions, symmetry relations and exact results for the hydrogen atom are given. The new tensors are related to derivatives of electric field shieldings with respect to motion of a test point through an electron distribution.
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