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Title
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Fermion particle density equations in relation to relativistic density functional theory
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Author
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Abstract
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| Relativistic density functional theory goes back at least to the work of Vallarta and Rosen. This represents the generalization of the Thomas-Fermi method to embody the kinetic energy of an electron of momentum p and rest mass m, as given by special relativity theory in the chemical potential Euler equation. Here we set up a relativistic density functional theory by heuristic arguments that start from well-established exact nonrelativistic differential equations for the Fermion density n(r) in model systems. We focus first on the differential equation of Lawes and March for one-dimensional harmonic confinement. Into their result we introduce the finiteness of the velocity of light c by replacing the Lawes-March differential equation for the Fermion density n(x) by a difference equation for the relativistic Fermion density in which the Compton wavelength h/m(0)c, with m(0) the Fermion rest mass, plays an important role. As we take the nonrelativistic limit c --> infinity, we regain the exact nonrelativistic result. Contact is then established with the Vallarta-Rosen treatment in the limit when a large number N of Fermions are harmonically confined. The remaining models investigated are two-electron in character. Relativistic difference equations to determine the density are again presented, for two such models. (C) 2004 Wiley Periodicals, Inc. |
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Language
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English
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Source (journal)
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International journal of quantum chemistry. - New York, N.Y., 1967, currens
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Source (book)
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10th International Conference on the Applications of Density Functional, Theory in Chemistry and Physics, SEP 05-12, 2003, Brussels, BELGIUM
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Publication
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New York, N.Y.
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Wiley
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2005
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ISSN
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0020-7608
[print]
1097-461X
[online]
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DOI
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10.1002/QUA.20322
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Volume/pages
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101
:6
(2005)
, p. 651-657
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ISI
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000226910200003
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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