O. Bokanowski, B. Grebert and N. Mauser, Approximations de l'energie cinetique en fonction de la densite pour un modele de Coulomb periodique, C. R. Acad. Sci., Math. Phys. 329 (1999) 85--90. Home/Search Document Not in Database Summary Related Articles Check |
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On An Exchange Interaction Model For Quantum Transport.. - Bokanowski, López, Soler (2003) Self-citation (Bokanowski) (Correct)
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O. Bokanowski, B. Grebert and N. Mauser, Approximations de l'energie cinetique en fonction de la densite pour un modele de Coulomb periodique, C. R. Acad. Sci., Math. Phys. 329 (1999) 85--90.
Local density approximations for the energy of a.. - Olivier Bokanowski Benot Self-citation (Bokanowski Grebert Mauser) (Correct)
....Our results are based on the crucial assumption that ae is close to the averaged constant electron density ae 0 . Precisely, we shall assume that L ff jffl ae j 0;ff is small, with the definitions ae 0 : N j Omega j = N L 3 and ffl ae (x) ae(x) Gamma ae 0 ae 0 : Extending [BM] [BGM1] we demonstrate how the heuristic idea of the free electron approximation can be used in a mathematically rigorous way by using the method of deformations (local scaling transformations) of plane waves [PSK] KL] BG2] BG3] In this article we essentially prove that (see section 2 for ....
....at ae = ae 0 . Then we deduce Theorem 1 and Theorem 2. In section 5 we justify the so called X ff method which allows us to approximate the exchange energy at the Hartree Fock level and then to obtain an upper bound for the global energy functional. Part of the results have been announced in [BGM1], BGM2] and [BGM3] 4 2 Results Our first result states that the exact kinetic energy, as a functional of the density, is equal to the Thomas Fermi von Weizsacker functional [L1] up to small remainder terms depending on ffl ae and N . Theorem 1 Let 0 ff 1. For densities ae 2 D ff , the ....
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O. Bokanowski, B. Grebert and N.J. Mauser, "Approximations de l'energie cinetique en fonction de la densite pour un modele de Coulomb periodique". C.R.Acad.Sci., Math.Phys. 329 (1999) 85-90
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