Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility

19721,220 citationsJournal Article

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Abstract

Hartree-Fock perturbation theory of magnetic susceptibility and magnetic shielding is developed using a basis set of gauge invariant atomic orbitals. The theory is used to calculate magnetic shielding and spin-rotation constants associated with the nuclei in LiH and HF giving results in good agreement with experimental values.

Topics & Keywords

Advanced Chemical Physics Studies Atomic and Molecular Physics Cold Atom Physics and Bose-Einstein Condensates

Publication Details

Published in: The Journal of Chemical Physics

Volume 56, Issue 11, pp. 5688-5691

DOI: 10.1063/1.1677088

Field-Weighted Citation Impact: 5.55

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Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility

Authors

Abstract

Topics & Keywords

Publication Details