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.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
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
关键词
基态关联能
并行分块
消去迭代法
氦原子
The ground state correlation energy of
helium
Parallel multisection recurrence algorithm
Iarge eigenvalue problem
Modified
configuration interaction method(MCI).
