A new density functional approach for calculations of large systems is presented. 提出一种新的对大体系进行分区密度泛函计算的方法。
The convergence of the waveform relaxation for solving functional differential-algebraic equations is studied and the error estimate is derived. 摘要本文采用波形松弛算法来求解一类泛函微分代数系统,该算法在迭代过程中,避免了求解泛函微分方程,且利于并行处理。