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

Pub. Date : 2021 Jan 12

PMID : 33385321






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1 Results from calculations on systems with light and heavy main group elements, transition metals, lanthanides, and one actinide complex demonstrate reasonably good agreement with experimental data, where available, as long as the active space can generate sufficient spin polarization. Lanthanoid Series Elements spindlin 1 Homo sapiens