کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5375939 1504309 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Calculations of photoionization cross-sections with variationally optimized complex Gaussian-type basis functions
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Calculations of photoionization cross-sections with variationally optimized complex Gaussian-type basis functions
چکیده انگلیسی
Accurate cross-sections were obtained for the Rydberg autoionization of He and Be, and the photodetachment of H− with the optimizations of only one complex basis function. These results show the effectiveness of the optimization of the complex orbital exponents to reduce the number of basis functions significantly and imply the applicability to general problems by adapting many existing techniques developed in bound state theories.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 349, Issues 1–3, 16 June 2008, Pages 126-132
نویسندگان
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