arXiv 2003.122072020-03-27nucl-th

用形变核标定能量密度泛函

Calibration of Energy Density Functionals with Deformed Nuclei

N. Schunck, J. O'Neal, M. Grosskopf, E. Lawrence, S. M. Wild

备注：: 23 pages, 3 figures, 4 tables, 67 references; Submitted to J. Phys. G: Nucl. Part. Phys
发表信息：: J. Phys. G: Nucl. Part. Phys. 47, 074001 (2020)
DOI：: 10.1088/1361-6471/ab8745

摘要：

核密度泛函理论是在整个核素谱尺度上精确描述核性质的流行理论框架。给定能量泛函和多体方案（例如，单或多参考水平），理论的预测能力强烈依赖于如何用实验数据校准能量泛函的参数。扩展的算法和计算能力使最近的优化协议，包括变形核的数据，以优化的耦合常数的能量泛函。这项工作的主要动机是测试这些协议的鲁棒性的基础计算的一些技术和数值细节，特别是当校准探索一个大的参数空间。为此，我们量化这些不确定性对复合目标函数的优化和统计仿真的影响。我们还强调，贝叶斯校准可以提供更好的估计用于定义目标函数的理论误差。

英文摘要：

Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or multireference level), the predictive power of the theory depends strongly on how the parameters of the energy functionals have been calibrated with experimental data. Expanded algorithms and computing power have enabled recent optimization protocols to include data in deformed nuclei in order to optimize the coupling constants of the energy functional. The primary motivation of this work is to test the robustness of such protocols with respect to some of the technical and numerical details of the underlying calculations, especially when the calibration explores a large parameter space. To this end, we quantify the effect of these uncertainties on both the optimization and statistical emulation of composite objective functions. We also emphasize that Bayesian calibration can provide better estimates of the theoretical errors used to define objective functions.

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英文摘要：

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