An electron gas calculation of the nuclear magnetic shielding tensor of 3Σu + H2
Year: 1991
Type: article
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.
Source: Molecular Physics
Authors: Christopher J. Grayce, Robert A. Harris
Institution: University of California, Berkeley
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Funder: National Science Foundation
OpenAlex ID: W2070928719