کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5383652 1504976 2012 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New range-separated hybrids based on the TCA density functional
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
New range-separated hybrids based on the TCA density functional
چکیده انگلیسی
► New range-separated hybrid functionals have been constructed. ► The Hirao and coworkers' range-separation procedure was used. ► The new hybrids are based on the TCA functional and its global hybrid TCA0. ► The performances of the new functionals have been assessed on various databases. ► Very good results were obtained, particularly by the range-separated TCA0 functional.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volumes 519–520, 5 January 2012, Pages 145-149
نویسندگان
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