关于GW近似的高效数值计算方法的综述发表

综述发表在Electronic Structure上。

Numerical methods for efficient GW calculations of low-dimensional materials

Weiwei Gao, Weiyi Xia,Peihong Zhang, James Chelikowsky, and Jijun Zhao

摘要：

The GW approximation of quasiparticle self-energy is a well-established method for quantitative descriptions of single-particle excitations and has been successfully applied to a wide range of systems. However, the relatively huge computation cost and non-trivial convergence behavior hinder the applications of the GW approximation in large and complex material systems. Due to the recent interests in low-dimensional materials, such as low-dimensional materials and nanoclusters, people have devoted a lot of effort to designing novel numerical methods for efficient and accurate prediction of quasiparticle excitations in low-dimensional materials.

In this topical review, we first recap the basic concepts of the GW approximation and then present some conventional code implementations. We also go through some of the most recent advances in innovative GW approximation methods and reformulations, as well as their applications, with a focus on two-dimensional and zero-dimensional systems.