用并行计算的方法研究He原子基态关联能  

THE GROUND STATE CORRELATION ENERGY OF HELIUM BY USING PARALLEL ALGORITHM

作　　者：刘莲君[1,2] 徐静雯 刘育明[1,2] 顾海涛 

机构地区：[1]武汉大学理学院物理系 [2]武汉大学软件工程国家重点实验室

出　　处：《原子与分子物理学报》1999年第2期223-228,共6页Journal of Atomic and Molecular Physics

基　　金：中国科学院武汉物理所波谱与原子分子物理国家重点实验室开放基金

摘　　要：用组态相互作用方法计算了Ｈｅ原子基态电子关联能，为了既得到较高精度又克服计算机上遇到的困难，采用了并行分块消去迭代法，同时在多个处理器上并行计算。得到了较好的结果。In order to get higher precision and overcome compatation problems, we adopt parallel multisection recurrence algorithm to compute the ground state correlation energy of Helium on the condition of by using Modified Configuration Interaction method(MCI). This method can make several processors computer one problem at the same time. The computation results obtain higher precision. What's more, this method offers some advice for further computing the electronic correlation energy of triple or more than triple electron system.

关 键 词：基态关联能 并行分块 消去迭代法 氦原子 

分 类 号：O562.1[理学—原子与分子物理]