搜索结果: 1-1 共查到“理学 Element orbitals”相关记录1条 . 查询时间(0.08 秒)
Element orbitals for Kohn-Sham density functional theory
Element orbitals Kohn-Sham density functional theory
2015/7/14
We present a method to discretize the Kohn-Sham Hamiltonian matrix in the pseudopotential framework by a small set of basis functions automatically contracted from a uniform basis set such as plane wa...