Spin-free orbital entropy, pair entropy, and mutual information are defined, shown to be invariant under M_s, and applied to CH2 dimers and iron-sulfur complexes.
Physical entanglement between localized orbitals
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Spin-free orbital entropy, mutual information, and correlation analysis
Spin-free orbital entropy, pair entropy, and mutual information are defined, shown to be invariant under M_s, and applied to CH2 dimers and iron-sulfur complexes.