کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5418661 1506995 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Local density approximation for long-range or for short-range energy functionals?
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Local density approximation for long-range or for short-range energy functionals?
چکیده انگلیسی
Density functional methods were developed, in which the Coulomb electron-electron interaction is split into a long- and a short-range part. In such methods, one term is calculated using traditional density functional approximations, like the local density approximation. The present paper tries to shed some light upon the best way to do it by comparing the accuracy of the local density approximation with accurate results for the He atom.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 762, Issues 1–3, 2 April 2006, Pages 147-150
نویسندگان
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