Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei
Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei
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SU(3) 方案对于最轻原子核以外的从头算大规模计算的有效性
DOI：
10.1016/j.cpc.2016.06.006
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发表时间：
2016
期刊：
影响因子：
--
通讯作者：
["T. Dytrych
中科院分区：
文献类型：
--
作者：
["T. Dytrych
本文报道了在无核壳模型（SA-NCSM）框架下计算原子核结构的计算特性。我们研究的计算复杂性的SA-NCSM方法，称为LSU 3壳，通过分析6Li和12 C在大谐振子模型空间和SU 3-选择的子空间的从头计算结果。我们演示了LSU 3壳的强标度性能实现了高度并行的方法来计算多体矩阵元素。结果与完整的模型空间计算和显着的内存节省在物理上重要的应用程序中实现。特别是，一个精心选择的mathony适应的基础上提供了存储器的节省计算的状态与一个固定的总角动量在大的模型空间，同时精确地保持平移不变性。
We report on the computational characteristics ofab initionuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbedLSU3shell, by analyzingab initioresults for6Li and12C in large harmonic oscillator model spaces and SU3-selected subspaces. We demonstrateLSU3shell’s strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis affords memory savings in calculations of states with a fixed total angular momentum in large model spaces while exactly preserving translational invariance.