Optimization of the imaginary time step evolution for the Dirac equation

摘要：

Taking the single neutron levels of 12C in the Fermi sea as examples, the optimization of the imaginary time step (ITS) evolution with the box size and mesh size for the Dirac equation is investigated. For the weakly bound states, in order to reproduce the exact single-particle energies and wave functions, a relatively large box size is required. As long as the exact results can be reproduced, the ITS evolution with a smaller box size converges faster, while for both the weakly and deeply bound states, the ITS evolutions are less sensitive to the mesh size. Moreover, one can find a parabola relationship between the mesh size and the corresponding critical time step, i.e., the largest time step to guarantee the convergence, which suggests that the ITS evolution with a larger mesh size allows larger critical time step, and thus can converge faster to the exact result. These conclusions are very helpful for optimizing the evolution procedure in the future self-consistent calculations.

关键词： Dirac equation Schrodinger-like equation imaginary time step method convergence

作者: LI FangQiong ZHANG Ying LIANG HaoZhao MENG Jie

作者单位: Guizhou University for Nationalities, Guiyang 550025, China State Key Lab Nuclear Physics & Technology, School of Physics, Peking University, Beijing 100871, Ch State Key Lab Nuclear Physics & Technology, School of Physics, Peking University, Beijing 100871, Ch School ofPhysics and Nuclear Energy Engineering, Beihang University, Beijing 100191, China State Key

会议类型: 国际会议

会议名称: 原子核磁矩国际研讨会

会议地点: 北京

会议语种:英文

页码: 231-235

在线出版日期: 2010-04-27（万方平台首次上网日期，不代表论文的发表时间）