27 citations · 47 across the 3 of their papers we have counts for
3 papers
physics.comp-ph2020★ 8 cited
Efficient Parallel Linear Scaling Method to get the Response Density Matrix in All-Electron Real-Space Density-Functional Perturbation Theory
Honghui Shang, Wanzhen Liang, Yunquan Zhang +1
The real-space density-functional perturbation theory (DFPT) for the computations of the response properties with respect to the atomic displacement and homogeneous electric field…
cond-mat.mtrl-sci2006★ 12 cited
Linear scaling calculation of maximally-localized Wannier functions with atomic basis set
H. J. Xiang, Zhenyu Li, W. Z. Liang +3
We have developed a linear scaling algorithm for calculating maximally-localized Wannier functions (MLWFs) using atomic orbital basis. An O(N) ground state calculation is carried o…
cond-mat.mtrl-sci2005★ 27 cited
Spin unrestricted linear scaling electronic structure theory and its application to magnetic carbon doped BN nanotubes
H. J. Xiang, W. Z. Liang, Jinlong Yang +2
We present an extension of density matrix based linear scaling electronic structure theory to incorporate spin degrees of freedom. When the spin multiplicity of the system can be p…