کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5396956 | 1505772 | 2007 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Sturmian functions in a L2 basis: Critical nuclear charge for N-electron atoms
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Two particle Sturmian functions [M. Rotenberg, Ann. Phys., NY 19 (1962) 262; S.V. Khristenko, Theor. Math. Fiz. 22 (1975) 31 (Engl. Transl. Theor. Math. Phys. 22, 21)] for a short range potentials are obtained by expanding the solution of the Schrödinger equation in a finite L2Laguerre-type basis. These functions are chosen to satisfy certain boundary conditions, such as regularity at the origin and the correct asymptotic behavior according to the energy domain: exponential decay for negative energy and outgoing (incoming or standing wave) for positive energy. The set of eigenvalues obtained is discrete for both positive and negative energies. This Sturmian basis is used to solve the Schrödinger equation for a one-particle model potential [A.V. Sergeev, S. Kais, J. Quant. Chem. 75 (1999) 533] to describe the motion of a loosely bound electron in a multielectron atom. Values of the two parameters of the potential are computed to represent the Helium isoelectronic series and the critical nuclear charge Zc is found, in good agreement with previous calculations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 161, Issues 1â3, October 2007, Pages 199-203
Journal: Journal of Electron Spectroscopy and Related Phenomena - Volume 161, Issues 1â3, October 2007, Pages 199-203
نویسندگان
A.L. Frapiccini, G. Gasaneo, F.D. Colavecchia, D. Mitnik,