کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5376012 1504310 2008 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Vibrational distributions in N2 with an improved calculation of energy levels using the RKR method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Vibrational distributions in N2 with an improved calculation of energy levels using the RKR method
چکیده انگلیسی
The potential curve of the N2 ground state (X1Σg+) has been accurately reconstructed using the Rydberg-Klein-Rees (RKR) method extrapolated by a Hulburt and Hirschfelder potential for longer internuclear distances. Solving the corresponding radial Schrödinger equation yields 60 bound levels above v = 0, whose energies may be fitted by the following polynomial expansion: G(v)=∑i=15ai(v+1/2)i, with the coefficients ai in cm−1 equal to 2378.1, −18.516, 0.26662, −6.2127 × 10−3, and 3.4215 × 10−5, respectively, for i = 1-5. The effects of considering this more accurate potential on the vibrational distribution function of N2(X, v) molecules obtained in nitrogen microwave discharges and post-discharges are compared with previous calculations, using a smaller vibrational manifold.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 348, Issues 1–3, 2 June 2008, Pages 187-194
نویسندگان
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