dorsal/arxiv
View SchemaShannon entropies of atomic structure factors, off-diagonal order and electron correlation
| Authors | Robin P. Sagar, Nicolais L. Guevara |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0609059 |
| URL | https://arxiv.org/abs/quant-ph/0609059 |
| DOI | 10.1080/00268970701335771 |
| Journal | Mol. Phys. 105 (2007) 1359-1368 |
Abstract
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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"abstract": "Shannon entropies of one- and two-electron atomic structure factors in the\nposition and momentum representations are used to examine the behavior of the\noff-diagonal elements of density matrices with respect to the uncertainty\nprinciple and to analyze the effects of electron correlation on off-diagonal\norder. We show that electron correlation induces off-diagonal order in position\nspace which is characterized by larger entropic values. Electron correlation in\nmomentum space is characterized by smaller entropic values as information is\nforced into regions closer to the diagonal. Related off-diagonal correlation\nfunctions are also discussed.",
"arxiv_id": "quant-ph/0609059",
"authors": [
"Robin P. Sagar",
"Nicolais L. Guevara"
],
"categories": [
"quant-ph"
],
"doi": "10.1080/00268970701335771",
"journal_ref": "Mol. Phys. 105 (2007) 1359-1368",
"title": "Shannon entropies of atomic structure factors, off-diagonal order and electron correlation",
"url": "https://arxiv.org/abs/quant-ph/0609059"
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