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Electron-Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component

Rulin Feng1, Thomas J Duignan1, Jochen Autschbach1

  • 1Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States.

Journal of Chemical Theory and Computation
|January 1, 2021
PubMed

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