کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418664 1506995 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relativistic effective exchange-charge density integral and shell boundaries in Nobelium atom
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Relativistic effective exchange-charge density integral and shell boundaries in Nobelium atom
چکیده انگلیسی
Following the concept of static exchange-correlation charge density, the total integrated exchange-charge density parameter, Qx, is calculated within the exchange-only, relativistic optimized potential model and employed to examine the atomic shell boundaries in nobelium atom. Six clear maxima in Qx(r) are shown to reflect all the shell boundaries. A comparison of the Qx(r) with the non-relativistic calculations reveal interesting differences in the core and valence regions. The radial behavior of Qx(r) is shown to be extremely sensitive to the details of the relativistic effects.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 762, Issues 1–3, 2 April 2006, Pages 165-169
نویسندگان
, ,