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Idempotent Dirac density matrix for ten-electron central field inhomogeneous electron liquids in terms of electron- and kinetic energy-densities
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| Abstract |
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| A differential equation for the Dirac density matrix gamma(r, r'), given ground-state electron- and kinetic energy-densities, has been derived by March and Suhai for one- and two-level occupancy. For ten-electron spin-compensated spherical systems, it is shown here that gamma equivalent to gamma [p, t(g)] where p and t(g). are electron- and kinetic energy-densities. The philosophy of March and Suhai is confirmed beyond two-level filling. An important by product of the present approach is an explicit expression for the one-body potential of DFT in terms of the p-shell electron density. (C) 2007 Elsevier B.V All rights reserved. | |
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English
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| Source (journal) |
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Physics letters: A. - Amsterdam, 1967, currens |
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Amsterdam : 2007
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0375-9601
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370:3-4(2007), p. 351-353
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000250591700026
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| Full text (open access) |
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