Dynamical Mean Field Theory

• The basic reasons for why the common approximation to the exchange and correlation energy of density functional theory is inaccurate for certain materials are outlined. A possible fix to this problem, in terms of dynamical mean field theory (DMFT) is described, and details of how it is implemented in the FP-LMTO method are presented. The different choices of correlated orbitals which are to be considered in DMFT are also given. Examples of DMFT calculations are presented using different approximations to the ‘impurity part’ of the DMFT calculations.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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