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

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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.

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Levy, M., Ivanov, S., Görling, A. (1998). Correlation Energy in a High-Density Limit from Adiabatic Connection Perturbation Theory. In: Dobson, J.F., Vignale, G., Das, M.P. (eds) Electronic Density Functional Theory. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-0316-7_8

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  • DOI: https://doi.org/10.1007/978-1-4899-0316-7_8

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