کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417005 1506902 2010 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Concept of the Pauli potential in density functional theory
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Concept of the Pauli potential in density functional theory
چکیده انگلیسی
After a brief summary of early work introducing the concept of the Pauli potential, it is here considered in some detail in the context of the differential virial theorem and the closely related force-balance equation. Specific applications are cited for the non-relativistic Be-like series of atomic ions for arbitrary atomic number Z, and then more generally for spherically symmetric ground-state electron densities. Finally the fact that the Pauli potential has some interesting consequences in relation to the, as yet unknown, exchange-correlation energy and the corresponding potential energy is also stressed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 943, Issues 1–3, 15 March 2010, Pages 77-82
نویسندگان
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