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. (Q51629876)
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scientific article published in October 2005
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English | 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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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)
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Rubicelia Vargas
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Jorge Garza
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Andrés Cedillo
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1 October 2005
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109
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39
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8880-8892
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