کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1864401 1037727 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
On the role of second number-conserving functional derivatives
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
On the role of second number-conserving functional derivatives
چکیده انگلیسی
It is found that number-conserving second derivatives, of functional differentiation constrained to the domain of functional variables ρ(x) of a given norm ∫ρ(x)dx, are not obtained via two successive number-conserving differentiations, contrary to the case of unrestricted second derivatives. Investigating the role of second number-conserving derivatives, with the density-functional formulation of time-dependent quantum mechanics in focus, it is shown how number-conserving differentiation handles the dual nature of the Kohn-Sham potential arising in the practical use of the theory. On the other hand, it is pointed out that number-conserving derivatives cannot resolve the causality paradox connected with the second derivative of the exchange-correlation part of the action density functional.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 355, Issue 2, 26 June 2006, Pages 148-151
نویسندگان
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