4.6 Article

Fisher and Shannon information from one-matrix. Link to the kinetic energy

期刊

CHEMICAL PHYSICS LETTERS
卷 597, 期 -, 页码 139-142

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ELSEVIER
DOI: 10.1016/j.cplett.2014.02.032

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资金

  1. Spanish MICINN [FIS2011-24149]
  2. Junta de Andalucia [FQM.1861]
  3. European Union
  4. European Social Fund
  5. OTKA [K100590]
  6. [TAMOP 4.2.2.A-11/1/KONV-2012-0036]

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A six-dimensional distribution function F is constructed from the one-matrix of a non-interacting system. For double occupied orbitals and real one-matrix, the Fisher information I-F constructed from the distribution function F is proportional to the non-interacting kinetic energy T-s. A local six-dimensional wave-vector q is defined that establishes a link between the Shannon and Fisher information and the local kinetic energy. Illustrative examples for Coulomb systems are presented. (C) 2014 Elsevier B.V. All rights reserved.

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