کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5416155 1393799 2006 9 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
1Σu and 1Πu states of the hydrogen molecule: Nonadiabatic couplings and vibrational levels
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
1Σu and 1Πu states of the hydrogen molecule: Nonadiabatic couplings and vibrational levels
چکیده انگلیسی
Nonadiabatic coupling matrix elements are computed for six lowest 1Σu+ and four lowest 1Πu electronic states of H2 in a wide range of internuclear distances. These matrix elements are used together with the adiabatic potentials to determine the bound ro-vibrational levels of the 10 electronic states for rotational quantum numbers J ⩽ 10. The computed energies agree quite well with existing experimental term values. However, some of the experimental levels should be assigned differently.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 238, Issue 1, July 2006, Pages 118-126
نویسندگان
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