کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5377175 1504336 2006 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Calculation of adiabatic potentials of Li2
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Calculation of adiabatic potentials of Li2
چکیده انگلیسی
We report adiabatic potential energy curves of the lithium dimer. Our curves are tabulated according to internuclear distance from 3.2a0 to 88a0. We compare our theoretical results with the ones calculated by other authors and potential energy curves derived from experiments. In our approach we use the configuration interaction method where only the valence electrons of Li atom are treated explicitly. The core electrons are represented by pseudopotential. All calculations are performed by means of MOLPRO program package.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 323, Issues 2–3, 21 April 2006, Pages 563-573
نویسندگان
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