کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5376985 1504334 2006 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Generalized diatomics-in-molecule method applied to the H3- anion
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Generalized diatomics-in-molecule method applied to the H3- anion
چکیده انگلیسی
A systematic study of the potential-energy surfaces of the ground and first excited states of the H3- anion is carried out by means of the recently developed generalized diatomics-in-molecule method in the partial wave representation, making use of the available information for the bound and resonant states of H-andH2-. Both local complex potentials as well as energy-dependent nonlocal complex effective potentials are calculated. The potential-energy surfaces encompass both bound and quasi-stationary (resonant) electronic states. The paper presents the first calculation of the energy-dependent width and level-shift functions of the quasi-stationary states of H3-.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 325, Issues 2–3, 20 June 2006, Pages 378-388
نویسندگان
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