Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems |
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| Authors: | MINHHUY HÔ VEDENE H SMITH JR ROBIN P SAGAR RODOLFO O ESQIVEL |
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| Institution: | 1. Department of Chemistry , Queen's University , Kingston, Ontario, Canada , K7L 3N6;2. Departamento de Química , Universidad Autónoma Metropolitana , Apartado Postal 55-534, Iztapalapa, 09340, México DF, Mexico |
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| Abstract: | The asymptotic behaviour of the negative ratio of the density gradient to the electron density, q(r), for neutral and singly charged atoms has been investigated. The results show that, for large r, q(r) can approach its limit √8?, where ? is the first ionization potential, from either above or below depending on the specific system considered. |
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