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Phys. Rev. B 77, 073104 (2008) [4 pages]

Design of kinetic functionals for many-body electron systems: Combining analytical theory with Monte Carlo sampling of electronic configurations

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Luca M. Ghiringhelli and Luigi Delle Site
Max-Planck-Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

Received 9 November 2007; revised 18 December 2007; published 28 February 2008

In a previous work [ L. Delle Site J. Phys. A: Math. Theor. 40 2787 (2007)], the derivation of an analytic expression for the kinetic functional of a many-body electron system has been proposed. Though analytical, the formula is still nonlocal (multidimensional) and thus not ideal for numerical applications. In this work, by treating the test case of a uniform gas of interacting spinless electrons, we propose a computational protocol which combines the previous analytic results with the Monte Carlo sampling of electronic configurations in space. This, we show, leads to an internally consistent scheme to design well founded local kinetic functionals.

© 2008 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.77.073104
DOI:
10.1103/PhysRevB.77.073104
PACS:
05.10.Ln, 71.10.−w, 31.15.E−