کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5377194 1504335 2006 16 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
New approach for the electronic energies of the hydrogen molecular ion
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
New approach for the electronic energies of the hydrogen molecular ion
چکیده انگلیسی
Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H2+, namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of discrete states when the magnetic quantum number m is zero, i.e., for 2Σ+ states. In this case, these solutions are the roots of a set of two coupled three-term recurrence relations. The eigensolutions are obtained from an application of experimental mathematics using Computer Algebra as its principal tool and are vindicated by numerical and algebraic demonstrations. Finally, the mathematical nature of the eigenenergies is identified.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 324, Issues 2–3, 31 May 2006, Pages 323-338
نویسندگان
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