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Pair density Shannon information measures and their $N$-dependent behaviour in diatomic molecular systems

Salazar, Saul J. C. et al.
arXiv (All) · Papers
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quantum-physics
Pair density Shannon entropies and mutual information in position and in momentum space are calculated for two series of homonuclear and heteronuclear diatomic molecules using Hartree-Fock wave functions. The pair density entropy sum increases with the quality of the basis set. Mutual information, a
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