کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418274 1506944 2008 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Relative entropy and atomic structure
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Relative entropy and atomic structure
چکیده انگلیسی
Relative entropy, using a hydrogen-like model density as the reference, is studied in atomic systems. We find that both the position and momentum space measures display the shell effects, being similar in behavior to the expectation value, 〈r〉. We also show that the electronic momentum density is closer to the hydrogen-like reference than is the position space density. A connection between relative entropy, and the atomic radius and quantum capacitance, is also discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 857, Issues 1–3, 30 May 2008, Pages 72-77
نویسندگان
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