用基态条件概率密度泛函理论确定均匀气体的关联能
Correlation energy of the uniform gas determined by ground state conditional probability density functional theory
摘要：
条件概率密度泛函理论（CP-DFT）是一种从Kohn-Sham DFT中计算相关能的形式上精确的方法，它不需要计算显式的能量泛函。我们提出的细节，如何产生准确的交换相关能量的基态均匀气体。我们还使用交换空穴在CP反平行自旋计算提取高密度极限。我们给出了一个高度精确的解析解的Escheras-Fermi模型这个问题，显示其性能相对于Kohn-Sham，并可能是有用的，在高温下。我们探讨了几种近似的CP潜力。结果进行了比较，以准确的参数化交换相关能量和孔。
英文摘要：
Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy functional. We present details on how to generate accurate exchange-correlation energies for the ground-state uniform gas. We also use the exchange hole in a CP antiparallel spin calculation to extract the high-density limit. We give a highly accurate analytic solution to the Thomas-Fermi model for this problem, showing its performance relative to Kohn-Sham and may be useful at high temperatures. We explore several approximations to the CP potential. Results are compared to accurate parameterizations for both exchange-correlation energies and holes.
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