Electron exchange-correlation in quantum mechanics

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It is shown that Fermi-Dirac statistics is guaranteed by the Dirac current, from which spin-dependent quantum velocity fields and spin-dependent quantum trajectories can be inferred. Pauli's exclusion principle is demonstrated using the spin-dependent quantum trajectories. The Dirac current, unlike the Schroedinger current, is nonzero for stationary bound states due to the permanent magnetic moment of the electron. It is of order c{sup 0} in agreement with observation that Fermi-Dirac statistics is independent of electronic velocity. In summary the physical basis for exchange-correlation is found in Dirac's equation, although Schroedinger's equation may be used to evaluate the Dirac current in the ... continued below

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PDF-file: 18 pages; size: 0.4 Mbytes

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Ritchie, B January 30, 2009.

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It is shown that Fermi-Dirac statistics is guaranteed by the Dirac current, from which spin-dependent quantum velocity fields and spin-dependent quantum trajectories can be inferred. Pauli's exclusion principle is demonstrated using the spin-dependent quantum trajectories. The Dirac current, unlike the Schroedinger current, is nonzero for stationary bound states due to the permanent magnetic moment of the electron. It is of order c{sup 0} in agreement with observation that Fermi-Dirac statistics is independent of electronic velocity. In summary the physical basis for exchange-correlation is found in Dirac's equation, although Schroedinger's equation may be used to evaluate the Dirac current in the nonrelativistic regime of electronic velocity.

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PDF-file: 18 pages; size: 0.4 Mbytes

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  • Journal Name: International Journal of Quantum Chemistry, vol. 111, n/a, January 1, 2011, pp. 1; Journal Volume: 111; Journal Issue: 1

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  • Report No.: LLNL-JRNL-410474
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 1020342
  • Archival Resource Key: ark:/67531/metadc831994

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  • January 30, 2009

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  • May 19, 2016, 3:16 p.m.

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  • Dec. 5, 2016, 2:49 p.m.

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Ritchie, B. Electron exchange-correlation in quantum mechanics, article, January 30, 2009; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc831994/: accessed October 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.