This method is especially suited for getting band edge states in the framework of linear scaling self-consistent density functional or Hartree-Fock theory.

 
  • 我们提出了一个优雅的解决周期体系中均匀电场的办法。与密度矩阵微扰理论结合起来,我们提供了一个计算介电常数的线性标度算法。
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