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Correlation Energy in a High-Density Limit from Adiabatic Connection Perturbation Theory

  • Mel Levy
  • Stanislav Ivanov
  • Andeas Görling

Abstract

Here the derivation of the Görling-Levy adiabatic perturbation theory is reviewed for the correlation energy, E c [n], in a high-density limit for finite systems, with particular emphasis on the resultant expression in terms of Kohn-Sham orbitals, for the second-order contribution, E c (2)[n]. This contribution occurs through an asymptotic uniform scaling of n(r). The quantity 2E c (2) [n] is especially important because it is the initial slope in the adiabatic connection method (coupling-constant formula) for E c [n], even where n does not belong to a high-density system. The recent bounds and equalities of Ivanov et al, involving E c (2) [n] and its functional derivative, are compared against the numerical results from functional of Perdew-Burke-Ernzerhof and Lee-Yang-Parr.

Keywords

Correlation Energy Functional Derivative Uniform Scaling Adiabatic Connection Electron Repulsion Energy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media New York 1998

Authors and Affiliations

  • Mel Levy
    • 1
  • Stanislav Ivanov
    • 1
  • Andeas Görling
    • 1
    • 2
  1. 1.Chemistry Department and Quantum Theory GroupTulane UniversityNew OrleansUSA
  2. 2.Lehrstuhl für Theoretische ChemieTechnische Universität MünchenGarchingGermany

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