Scaling and transferability of the interaction-energy functional of the inhomogeneous Hubbard model

Physical Review B - Condensed Matter and Materials Physics

Volumn 79, Issue 23, 2009, Pages

  Saubanère, Matthieu ^a   Pastor, G M ^a  

^a UNIVERSITY OF KASSEL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 67650081361     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.235101     Document Type: Article

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41. The LDFT formalism can be easily extended to arbitrary interactions HI = (1/2) Vijkl c iσ † c k σ′ † c l σ′ c jσ by replacing U i n i n i by HI in the expressions for the interaction-energy functional W [γ]. However, note that the functional dependence of W on γ depends crucially on the form of Vijkl (see also Refs.).
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43. In the presence of degeneracies in the single-particle spectrum one may find that Levy's minimum W does not derive from a single Slater determinant and that W0 < EHF. However, this is a finite-size effect whose importance decreases with increasing Na.