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arXiv 2309.03461nucl-th
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基于两中心谐振子基的核裂变协变密度泛函理论

Covariant density functional theory for nuclear fission based on two-center harmonic oscillator basis

Zeyu Li, Shengyuan Chen, Minghui Zhou, Yongjing Chen, Zhipan Li

AI总结:

基于两中心谐振子基扩展点耦合协变密度泛函理论,开发高精度高效率求解器,优化大形变构型并改善裂变势能面与产额描述。

摘要:

如今,现代微观裂变方法通常基于核密度泛函理论(DFT)框架,该框架能够自洽地处理裂变的静态和动态方面。关键问题是开发一种高精度且高效率的DFT求解器,特别是针对大形变构型。目的:基于点耦合协变密度泛函理论(CDFT),开发一种高精度且高效率的DFT求解器,该理论在描述整个核素图上原子核性质方面已取得巨大成功。方法:我们将点耦合CDFT扩展至基于两中心谐振子(TCHO)基,该基组与裂变过程中的大形变构型高度匹配。使用多维约束和含时生成坐标方法(TDGCM)分别分析裂变势能面和裂变动力学。为模拟超过断点的新生裂变碎片的分裂过程,我们还在新的CDFT框架中引入了密度约束。结果:对两个典型例子$^{226}$Th和$^{240}$Pu的势能面和诱发裂变动力学进行了演示性计算。在相同基空间下,与基于单中心谐振子(OCHO)的结果相比,新框架获得了更合理的势能面。外裂变势垒和大形变构型实现了约$0.2\sim0.3$ MeV的优化。基于TCHO基的动力学模拟呈现出改善裂变产额描述的趋势。结论:新开发的CDFT求解器优化了形变构型,提高了计算效率,并为大规模多维约束计算和动力学模拟提供了基础。

英文摘要:

Nowdays, modern microscopic approaches for fission are generally based on the framework of nuclear density functional theory (DFT), which has enabled a self-consistent treatment of both static and dynamic aspects of fission. The key issue is a DFT solver with high precision and efficiency especially for the large elongated configurations. Purpose: To develope a DFT solver with high precision and efficiency based on the point coupling covariant density functional theory (CDFT), which has achieved great success in describing properties of nuclei for the whole nuclear chart. Method: We have extended the point-coupling CDFT to be based on the two-center harmonic oscillator (TCHO) basis, which matches well with the large elongated configurations during the fission process. Multi-dimensional constraint and time-dependent generator coordinate method (TDGCM) have been used to analyze the fission potential energy surface and fission dynamics, respectively. To simulate the splitting process of the nascent fragments beyond scission, we also introduce a density constraint into the new CDFT framework. Results: Illustrative calculations have been done for the PESs and induced fission dynamics of two typical examples: $^{226}$Th and $^{240}$Pu. A more reasonable PES is obtained in the new framework compared to that based on the once-center harmonic oscillator (OCHO) with the same basis space. An optimization of about $0.2\sim0.3$ MeV has been achieved for the outer fission barriers and large elongated configurations. The dynamical simulations based on TCHO basis presents a trend to improve the description for fission yields. Conclusions: The new developed CDFT solver optimizes the elongated configurations, improves the calculation efficiency, and provides a basis for large-scale multi-dimensional constraint calculations and dynamical simulations.

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