کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5372799 1504186 2017 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Stabilization calculations of the low-lying temporary anions states of Be, Mg, and Ca
چکیده انگلیسی

The stabilization method is used in conjunction with the equation-of-motion electron-attachment coupled-cluster method to calculate the complex energies of the 2P temporary anion states of Be and Mg as well as of the 2D temporary anions states of Mg and Ca. The calculated resonance parameters for the 2P state of Mg− and 2D state of Ca− agree well with experiment. Experimental results are not available for the 2P anion of Be, but we note that our calculated resonance parameters of 2P Be−, while in good agreement with the CI results of McNutt and McCurdy (1983), differ significantly from the results of two other recent theoretical studies.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 482, 12 January 2017, Pages 239–243