کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5389259 1505139 2007 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electron impact excitation of molecules: Calculation of the cross section using the similarity function method and ab initio data for electronic structure
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Electron impact excitation of molecules: Calculation of the cross section using the similarity function method and ab initio data for electronic structure
چکیده انگلیسی
The electron impact excitation cross section of dipole-allowed transitions of diatomic molecules has been evaluated using the similarity function method combined with ab initio electronic structure calculations. In accordance with the similarity function method the excitation cross section is expressed through the oscillator strength of the transition and some universal function of the reduced incident electron energy. The necessary characteristics of molecular terms involved are determined through ab initio electronic structure calculations using the multireference configuration interaction technique or relativistic multipartitioning many-body perturbation theory. Comparison of results of specific calculations performed for CO and NO with available experimental data and comprehensive quantum-mechanical calculations shows a reasonable agreement.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 436, Issues 4–6, 9 March 2007, Pages 308-313
نویسندگان
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