Field theoretical representation of the Hohenberg-Kohn free energy for fluids.
Field theoretical representation of the Hohenberg-Kohn free energy for fluids.
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流体 Hohenberg-Kohn 自由能的场理论表示。
DOI：
10.1103/physreve.60.r5048
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发表时间：
1999
期刊：
影响因子：
--
通讯作者：
R. Hayakawa
中科院分区：
文献类型：
--
作者：
H. Frusawa;R. Hayakawa
为了超越高斯近似对在密度泛函理论（DFT）中起关键作用的Hohenberg-Kohn自由能，密度泛函积分表示将是相关的，因为对微扰计算的场论方法变得可用。然后，我们首先从由构型积分表示的大配分函数中推导出密度泛函的相关哈密顿量，明确地包括对数熵项。此外，我们做了两件事，以便揭示所得形式的效率：我们证明了这种表示有利于微扰计算的场论处理，并且进一步将我们的微扰公式与DFT的公式进行比较。
To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional integral representation would be relevant, because the field theoretic approach to perturbative calculations becomes available. Then we first derive the associated Hamiltonian of the density functional, explicitly including the logarithmic entropy term, from the grand partition function expressed by configurational integrals. Moreover, two things are done so that the efficiency of the obtained form may be revealed: we demonstrate that this representation facilitates the field theoretic treatment of the perturbative calculation and, further, compare our perturbative formulation with that of the DFT.