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arXiv 2402.02677nucl-th
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可调保真度的波函数用于散射和反应的从头计算描述

Tunable-fidelity wave functions for the \textit{ab initio} description of scattering and reactions

Konstantinos Kravvaris, Sofia Quaglioni, Petr Navratil

AI总结:

针对无芯壳模型基组指数增长问题,提出按哈密顿矩阵第一矩排序保留低阶构型的截断方法,实现sd壳核从头反应计算,并在$^7$Li、$n+^{12}$C及$^{24}$Mg散射中验证了指数收敛。

摘要:

无芯壳模型(NCSM)是一种从头计算方法,通过将多粒子波函数展开到(通常为)谐振子基组中并最小化能量来获得展开系数,从而求解核多体问题。NCSM的扩展,例如与微观团簇基态耦合,进一步允许对天体物理和核技术应用中感兴趣的光离子核反应进行从头计算处理。该方法的一个缺点是基组大小随核子数和激发量子数的增加呈指数增长,这限制了其适用于质量$A\lesssim 16$的原子核,除非通过某种截断方案进一步缩减基组。我们考虑了一种针对NCSM的基组选择方法,该方法捕捉核波函数的基本自由度,从而为计算带来有利的复杂度缩放,并使得在$sd$壳层原子核中进行从头反应计算成为可能。NCSM基组内的粒子构型根据其对哈密顿矩阵第一矩的贡献进行排序,该第一矩是由投影到多体基组上得到的。截断方案随后仅保留具有最低第一矩的构型,这些构型通常只包含少数多体基态(斯莱特行列式)。我们展示了使用手征有效场论推导并通过相似性重正化群方法软化的核子-核子相互作用对$^7$Li和$n+^{12}$C散射的计算。获得的能级始终表现出随基组大小的指数收敛,并且我们在散射计算中发现了改进的收敛性。为了展示该方法带来的可能性,我们还首次展示了$^{24}$Mg中子散射的计算。

英文摘要:

The no-core shell model (NCSM) is an \textit{ab initio} method that solves the nuclear many-body problem by expanding the many-particle wave function into a (typically) harmonic oscillator basis and minimizing the energy to obtain the expansion coefficients. Extensions of the NCSM, such as its coupling with microscopic-cluster basis states, further allow for an \textit{ab initio} treatment of light-ion nuclear reactions of interest for both astrophysics and nuclear technology applications. A downside of the method is the exponential scaling of the basis size with increasing number of nucleons and excitation quanta, which limits its applicability to mass $A\lesssim 16$ nuclei, except for variants where the basis is further down-selected via some truncation scheme. We consider a basis selection method for the NCSM that captures the essential degrees of freedom of the nuclear wave function leading to a favorable complexity scaling for calculations and enabling \textit{ab initio} reaction calculations in $sd$-shell nuclei. The particle configurations within the NCSM basis are ordered based on their contribution to the first moment of the Hamiltonian matrix that results from the projection onto the many-body basis. The truncation scheme then consists in retaining only the lowest-first-moment configurations, which typically contain only few many-body basis states (Slater determinants). We present calculations for $^7$Li and $n+^{12}$C scattering using nucleon-nucleon interactions derived from chiral effective field theory and softened using the similarity renormalization group method. The obtained energy levels invariably demonstrate exponential convergence with the size of the basis, and we find improved convergence in scattering calculations. To demonstrate the possibilities enabled by the approach, we also present a first calculation for the scattering of neutrons from $^{24}$Mg.

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