کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9851488 | 1527295 | 2005 | 27 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The kinetic energy density in Kohn-Sham density functional theory
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک هسته ای و انرژی بالا
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چکیده انگلیسی
This work continues a program to systematically generalize the Skyrme Hartree-Fock method for medium and heavy nuclei by applying effective field theory (EFT) methods to Kohn-Sham density functional theory (DFT). When conventional Kohn-Sham DFT for Coulomb systems is extended beyond the local density approximation, the kinetic energy density Ï is sometimes included in energy functionals in addition to the fermion density. However, a local (semi-classical) expansion of Ï is used to write the energy as a functional of the density alone, in contrast to the Skyrme approach. The difference is manifested in different single-particle equations, which in the Skyrme case include a spatially varying effective mass. Here we show how to generalize the EFT framework for DFT derived previously to reconcile these approaches. A dilute gas of fermions with short-range interactions confined by an external potential serves as a model system for comparisons and for testing power-counting estimates of new contributions to the energy functional.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Nuclear Physics A - Volume 747, Issues 2â4, 24 January 2005, Pages 268-294
Journal: Nuclear Physics A - Volume 747, Issues 2â4, 24 January 2005, Pages 268-294
نویسندگان
Anirban Bhattacharyya, R.J. Furnstahl,