Full canonical information from grand-potential density-functional theory.
نویسندگان
چکیده
We present a general and formally exact method to obtain the canonical one-body density distribution and the canonical free energy from direct decomposition of classical density functional results in the grand ensemble. We test the method for confined one-dimensional hard-core particles for which the exact grand potential density functional is explicitly known. The results agree to within high accuracy with those from exact methods and our Monte Carlo many-body simulations. The method is relevant for treating finite systems and for dynamical density functional theory.
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عنوان ژورنال:
- Physical review letters
دوره 113 23 شماره
صفحات -
تاریخ انتشار 2014