Title of article
Perturbative density functional approximation in the view of weighted density concept and beyond
Author/Authors
Zhou، نويسنده , , Shiqi، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
6
From page
208
To page
213
Abstract
Functional expansion of non-uniform first-order direct correlation function (DCF) around bulk density is rewritten with the concept of weighted density, it is found that the resulting first-order expansion term is actually the first-order expansion term of the Taylor series expansion of the uniform first-order DCF with weighted density as its density argument, the higher-order terms are incorporated into the first-order expansion approximation by Lagrangian theorem. Based on the functional integration view, the present Letter devises a numerical procedure to predict excess Helmholtz free energy from the approximation for the non-uniform first-order DCF. The physical foundation of the present discussion also applies to electronic density functional theory.
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1783037
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