Abstract
Accurate NMR shielding constants of As and Sb in , , , and complexes were calculated using the nonrelativistic coupled-cluster method and relativistic four-component density functional theory (DFT). Magnetic dipole moments of , , and nuclei were rederived and the new recommended reference nuclear magnetic dipole moments are , , and , correcting systematic errors of up to in previous reference values.
- Received 26 January 2024
- Accepted 15 March 2024
DOI:https://doi.org/10.1103/PhysRevA.109.042815
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