(Q51629876)

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Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory.

scientific article published in October 2005

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Europe PubMed Central

8 April 2018

http://europepmc.org/abstract/MED/16834292

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Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory. (English)

(Q51629876)

Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory.

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