Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: S1.00273 : Including many-body screening into self-consistent calculations--tight-binding model studies with Gutzwiller approximation
Author:
We introduce a scheme to include many-body screening process
explicitly into self-consistent equations for electronic
structure calculations by employing Gutzwiller approximation. The
method is illustrated by applying to a tight-binding model of the
strongly correlated $\gamma$-Ce. The critical Coulomb repulsion
$U_{ff}^{c}$ between the $4f$ electrons for electronic phase
transition can be greatly raised over the usual screened value by
including the main onsite many-body screening $5d$ channels. The
method provides a promising way towards parameter-free \textit{ab
initio} Gutzwiller density functional theory.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.S1.273
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