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
Link To Document :
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