The parallel calculation of the ground-state correlation energy of Helium atom |
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Authors: | Liu Lianjun Xu Jingwen Gu Haitao Liu Yuming |
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Affiliation: | (1) Department of Physics, Wuhan University, 430072 Wuhan, China;(2) State Key Laboratory of Software Engineering, Wuhan University, 430072 Wuhan, China |
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Abstract: | When we use Modified Configuration Interaction method (MCI) to calculate the correlation energy of double-electron systems, for obtaining the higher precision, we always need huge calculations. In order to handle this problem, which will cost much CPU time and memory room if only using a single computer to do it, we now adopt the parallel multisection recurrence algorithm. Thus we can use several CPUs to get the ground-state energy of a Helium atom at the same time. Supported by Opening Foundation of Laboratory of Wavy Spectrum and Atomic and Molecular Physics, Wuhan Institute of Physics, Chinese Academy of Sciences Liu Lianjun: born in 1946, Associate professor |
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Keywords: | Parallel Partitioning Cancellation Iteration Algorithm characteristic value equation configuration-interation (CI) method correlation energy |
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