由降维展开的从头算低维物理学：对LaFeAsO的应用
Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO
摘要：
用从头算方法构造了关联电子的低维模型。除了通过针对3D模型制定的约束随机相位近似进行的带向下折叠之外，还涉及远离目标层（链）的筛选。消除偏离目标的自由度，即维度向下折叠产生从头算低维模型。应用该方法导出了层状超导体LaFeAsO的二维模型，其中层间屏蔽的关键是使有效相互作用短程化，使原位库仑相互作用从5个铁3d轨道的三维模型减少了10- 20%.
英文摘要：
An ab initio downfolding method is formulated to construct low-dimensional models for correlated electrons. In addition to the band downfolding by constrained random phase approximation formulated for 3D models, screening away from the target layer (chain) is further involved. Eliminating the off-target degrees of freedom, namely, dimensional downfolding yields ab initio low-dimensional models. The method is applied to derive a 2D model for a layered superconductor LaFeAsO, where the interlayer screening crucially makes the effective interaction short ranged and reduces the onsite Coulomb interactions by 10-20 \% from the 3D model for the 5 iron-3d orbitals.
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