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An electron gas calculation of the nuclear magnetic shielding tensor of 3Σu + H2
Abstract
We calculate the interaction nuclear magnetic shielding tensor for the 3Σu+ state of H2, using the electron gas theory that we have presented previously. We confirm the finite direct contribution of the exchange energy, and our general results agree qualitatively with a simple Heitler-London calculation. Comparison with experimentally derived results for 129Xe suggest that an electron gas calculation on that system would be valuable. © 1991 Taylor and Francis Ltd.
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