能量密度泛函形式体系中的组态混合：病理学和治疗
Configuration mixing within the energy density functional formalism: pathologies and cures
摘要：
根据Skyrme/Gogny能量密度泛函（EDF）执行的配置混合计算依赖于将单参考能量泛函扩展到非对角EDF核。这样做的标准方法基于与纯汉密尔顿情况的类比和广义威克定理的使用，是最近观察到的多参考计算中的分歧和步骤的原因。我们在这里总结了最近提出的这个问题的最小解[Lacroix et al，arXiv：0809.2041]，并成功应用于粒子数恢复[Bender et al，arXiv：0809.2045]。这样的正则化方法根据密度的整数幂为EDF提供适当的病理校正。还讨论了密度的分数幂的具体情况[Duguet et al，arXiv：0809.2049]。
英文摘要：
Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy with the pure Hamiltonian case and the use of the generalized Wick theorem, is responsible for the recently observed divergences and steps in Multi-Reference calculations. We summarize here the minimal solution to this problem recently proposed [Lacroix et al, arXiv:0809.2041] and applied with success to particle number restoration[Bender et al, arXiv:0809.2045]. Such a regularization method provides suitable corrections of pathologies for EDF depending on integer powers of the density. The specific case of fractional powers of the density[Duguet et al, arXiv:0809.2049] is also discussed.
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