Shannon and Rényi entropies from molecular electron densities fail to encode static correlation and violate extensivity, indicating density-based descriptors are insufficient.
Information-theoretic approach in density functional reactivity the- ory.Acta Physico-Chimica Sinica32, 98–118 (2016)
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Shannon and R\'enyi entropies of molecular densities: insights into extensivity and the incomplete description of electron correlation
Shannon and Rényi entropies from molecular electron densities fail to encode static correlation and violate extensivity, indicating density-based descriptors are insufficient.