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The parallel calculation of the ground-state correlation energy of Helium atom
Authors:Liu Lianjun  Xu Jingwen  Gu Haitao  Liu Yuming
Affiliation:(1) Department of Physics, Wuhan University, 430072 Wuhan, China;(2) State Key Laboratory of Software Engineering, Wuhan University, 430072 Wuhan, China
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
Keywords:Parallel Partitioning Cancellation Iteration Algorithm  characteristic value equation  configuration-interation (CI) method  correlation energy
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