| 用并行计算的方法研究He原子基态关联能 |
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| 引用本文： | 刘莲君,徐静雯.用并行计算的方法研究He原子基态关联能[J].原子与分子物理学报,1999,16(2):223-228. |
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| 作者姓名： | 刘莲君 徐静雯 |
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| 作者单位： | [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 |
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| 基金项目： | 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 |
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| 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，并且对进一步开展对三个以上电子体系的关联能并行计算有一定的参考意义。
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| 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 BY USING PARALLEL
ALGORITHM |
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| LIU Lianjun ,XU Jingwen ,LIU Yuming ,GU Haitao.THE GROUND STATE CORRELATION ENERGY OF HELIUM BY USING PARALLEL
ALGORITHM[J].Journal of Atomic and Molecular Physics,1999,16(2):223-228. |
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| Authors: | LIU Lianjun XU Jingwen LIU Yuming GU Haitao |
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| Institution: | LIU Lianjun 1,XU Jingwen 2,LIU Yuming 1,GU Haitao 1 |
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| Abstract: | 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. |
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| Keywords: | The ground state correlation energy of helium Parallel multisection recurrence algorithm Iarge eigenvalue problem Modified configuration interaction method(MCI) |
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