کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376751 | 1504332 | 2006 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Core excited Neâ(1sâ1nâ) atoms inside bulk Ne
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Core excited Neâ(1sâ1nâ) atoms inside bulk Ne Core excited Neâ(1sâ1nâ) atoms inside bulk Ne](/preview/png/5376751.png)
چکیده انگلیسی
The energy of core-excited Neâ(1sâ1nâ) atoms inside bulk Ne is computed using a joint pseudopotential-wave packet propagation approach. Special care is taken to ensure the proper dielectric properties of bulk Ne together with its 3D-geometric structure. Results are compared with available X-ray absorption experimental results on the (1sâ1np) excitons. Analysis of the state energy and of the wave-function of the excited nâ electron allows to define two different regimes for the perturbation of the outer nâ electron by the neighbouring Ne atoms in the crystal: confinement in the cage formed by the first Ne neighbours for low-lying states and Rydberg states in a screened Coulomb potential for the higher-lying states. An effective screened spherically symmetric potential representing well the electron-hole interaction in the Neâ(1sâ1nâ) atoms inside bulk Ne is proposed, based on the analysis of the present 3D-modelling.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 327, Issues 2â3, 11 September 2006, Pages 300-310
Journal: Chemical Physics - Volume 327, Issues 2â3, 11 September 2006, Pages 300-310
نویسندگان
J.P. Gauyacq, A.K. Kazansky,