The frequency dependence of the dipole electric polarizability and electric shielding tensors of hydrogen and lithium nuclei in the LiH molecule has been studied via some approximations to the polarization propagator method, i.e., STA, TDA, and RPA, allowing for dipole length, velocity, acceleration, and mixed formalisms. The RPA nuclear electric shieldings are in a fairly good agreement with the corresponding experimental data, a discrepancy being observed for the parallel component at the Li nucleus.
Polarization propagator approach to the dynamic nuclear electric shielding in LiH molecule / Lazzeretti, Paolo; E., Rossi; R., Zanasi. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 79:(1983), pp. 889-893.
Polarization propagator approach to the dynamic nuclear electric shielding in LiH molecule.
LAZZERETTI, Paolo;
1983
Abstract
The frequency dependence of the dipole electric polarizability and electric shielding tensors of hydrogen and lithium nuclei in the LiH molecule has been studied via some approximations to the polarization propagator method, i.e., STA, TDA, and RPA, allowing for dipole length, velocity, acceleration, and mixed formalisms. The RPA nuclear electric shieldings are in a fairly good agreement with the corresponding experimental data, a discrepancy being observed for the parallel component at the Li nucleus.
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