Shannon entropies of atomic structure factors, off-diagonal order and electron correlation

Details Shannon entropies of atomic structure factors, off-diagonal order and electron correlation Shannon entropies of atomic structure factors, off-diagonal order and electron correlation

2006-09-08

arxiv.org/abs/quant-ph/0609059v1

Mol. Phys. 105 (2007) 1359-1368

Physics

Quantum Physics

Scientific paper

10.1080/00268970701335771

Shannon entropies of one- and two-electron atomic structure factors in the position and momentum representations are used to examine the behavior of the off-diagonal elements of density matrices with respect to the uncertainty principle and to analyze the effects of electron correlation on off-diagonal order. We show that electron correlation induces off-diagonal order in position space which is characterized by larger entropic values. Electron correlation in momentum space is characterized by smaller entropic values as information is forced into regions closer to the diagonal. Related off-diagonal correlation functions are also discussed.

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