Phys. Chem. Chem. Phys.
 2024
DOI: 10.1039/d4cp00533c
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Unraveling the electronic structure of LuH, LuN, and LuNH: building blocks of new materials

Nuno M. S. Almeida,
Bradley K. Welch,
Sasha C. North
et al.

Abstract: The discrepancy in single reference versus multireference guess orbitals in the strongly correlated LuN.

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