کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5396099 1505741 2013 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First principles study of the binding energies of pure metals using FP-LAPW method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
First principles study of the binding energies of pure metals using FP-LAPW method
چکیده انگلیسی
In these calculations the occupation of the 1s states was reduced according to the fractional core hole as a function of Z, which is presented in this work. The theoretical K, L1, L2 and L3 binding energies were compared with Berkeley ionization energies and they show a considerable improvement compared to those calculated with the normal occupation of the 1s state.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 189, August 2013, Pages 45-50
نویسندگان
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