Stability of Doubly-Charged Negative Ions of Atoms in the Density-Functional TheoryReportar como inadecuado




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Croatica Chemica Acta, Vol.64 No.2 October 1991. -

A Watson sphere removed to infinity is used to calculate, doubly charged negative ions of the atoms B, C, N, O, Al, Si, P, and S by the electron-correlation and self-interaction corrected generalized exchange local-spin-den- sity functional theory. These second electron affinities are compared to other theoretical calculations and show the doubly charged negative ions of these atoms to be unstable even when the Watson sphere radius is made infinite by an algebraic equation, but less unstable than in ionic crystals.



Autor: Yufei Guo - ; Theoretical Chemistry Group, Department of Chemistry, McGill University, 801 Sherbrooke Street West, Montreal, Queb

Fuente: http://hrcak.srce.hr/



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