Finite temperature quantum embedding theories for correlated systems
Finite temperature quantum embedding theories for correlated systems
复制标题
相关系统的有限温度量子嵌入理论
DOI：
10.1088/1367-2630/aa5d34
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发表时间：
2016
影响因子：
3.3
通讯作者：
E. Gull
中科院分区：
文献类型：
--
作者：
D. Zgid;E. Gull
多电子问题的精确解的代价被认为是自由度数量的指数，需要控制和精确但在数值上易于处理的近似值。在本文中，我们证明了这些近似中的一个，自能嵌入理论（SEET），是由一个泛函推导出来的，因此隐含地满足守恒定律和热力学一致性。我们还展示了其他近似，如动态平均场理论及其与多体摄动理论的组合，如何被理解为SEET的特殊情况，并讨论了如何使用SEET中存在的额外自由来获得系统收敛的结果。
The cost of the exact solution of the many-electron problem is believed to be exponential in the number of degrees of freedom, necessitating approximations that are controlled and accurate but numerically tractable. In this paper, we show that one of these approximations, the self-energy embedding theory (SEET), is derivable from a universal functional and therefore implicitly satisfies conservation laws and thermodynamic consistency. We also show how other approximations, such as the dynamical mean field theory and its combinations with many-body perturbation theory, can be understood as a special case of SEET and discuss how the additional freedom present in SEET can be used to obtain systematic convergence of results.
影响因子：
44.1
作者：
Gull, Emanuel;Millis, Andrew J.;Werner, Philipp
通讯作者：
Werner, Philipp