کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5141853 1495966 2017 18 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Analytic description of inversion vibrational mode for ammonia molecule
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Analytic description of inversion vibrational mode for ammonia molecule
چکیده انگلیسی
The one-dimensional Schrödinger equation with symmetric trigonometric double-well potential is exactly solved via angular prolate spheroidal function. Although it is inferior compared with multidimensional counterparts and its limitations are obvious nevertheless its solution is shown to be analytic rather than commonly used numerical or approximate semiclassical (WKB) one. This comprises the novelty and the merit of the present work. Our exact analytic description of the ground state splitting can well be a referee point for comparison of the accuracy of numerous WKB formulas suggested in the literature. The approach reasonably well suits for the inversion mode in the ammonia molecule NH3 and thus yields a new theoretical tool for its description. The results obtained provide good quantitative description of relevant experimental data on microwave and IR spectroscopy of NH3.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 93, November 2017, Pages 36-41
نویسندگان
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