Through a projection of the DM onto atomic orbitals and a subsequent O(N) orthogonalization, we obtain initial orthogonal localized orbitals.

• 通过与密度矩阵纯化方法或基于局域轨道的线性标度算法连用，它是极好的在自恰的密度泛函理论框架下计算前线轨道的能量及波函数的方法。