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Adiabatic Coupling in the Helium and the Beryllium Series

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Electronic Density Functional Theory

Abstract

Switching on the electron-electron interaction has provided a means for a deeper understanding of the Kohn-Sham formalism [1,2,3,4]. In recent years this adiabatic coupling was also used to produce density functionals (see, e.g., Ref. [5]) among which the so-called hybrid schemes [6] had great success. It was conjectured that the local density approximation works well for values of the coupling constant close to one (cf. [7]). Little is known, however, about the actual behavior of the correlation energy in real systems (see, e.g., [8]). The present paper shows results for simple systems (the helium and the beryllium series) often used as a benchmark in density functional calculations, as they are known not to behave properly in the local density approximation (LDA) [9].

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Savin, A., Colonna, F., Teuler, JM. (1998). Adiabatic Coupling in the Helium and the Beryllium Series. 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_6

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  • DOI: https://doi.org/10.1007/978-1-4899-0316-7_6

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4899-0318-1

  • Online ISBN: 978-1-4899-0316-7

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