Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383694 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Referencing the missing information function to the free electron gas leads to transferability. ⺠The entropy of an atom is correlated to its contribution to the correlation energy. ⺠The physical meaning of information theoretic properties is scrutinized. ⺠What is the fate of the physical dimensions in Shannon's entropy? ⺠MP2, DFT(B3LYP), and Hartree-Fock atomic entropies are practically identical.
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Authors
Chérif F. Matta, Martin Sichinga, Paul W. Ayers,