most citedSpin unrestricted linear scaling electronic structure theory and its application to magnetic carbon doped BN nanotubes

27 citations · 27 across the 1 of their papers we have counts for

collaborators

1 paper

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…