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arXiv 2002.02724nucl-th
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约束下的Bogoliubov多体微扰理论

Bogoliubov many-body perturbation theory under constraint

Pepijn Demol, Mikael Frosini, Alexander Tichai, Vittorio Somà, Thomas Duguet

摘要:

为了精确有效地求解开壳层原子核的A体薛定谔方程,最近发展了一种新的多体方法--Bogoliubov多体微扰理论(BMBPT),并将其应用于低阶情形.基于与粒子数守恒相关的U(1)对称性破缺,这种微扰理论必须在每个微扰阶的平均粒子数自洽调整的约束下运行。相应的形式主义,目前详细的目标是表征相关的泰勒级数的行为。因此,BMBPT是以限制在福克空间的一小部分(即示意性部分)为代价,从数值上研究到高阶。虽然低阶结果与通过组态相互作用(CI)对角化获得的结果仅相差2 - 3%,但该系列最终会发散。当从低阶BMBPT校正建立时,作为特征向量延拓的新的再确认方法的应用进一步提高了精度,并且当应用于高阶时,快速收敛于CI结果。此外,数值上昂贵的自洽粒子数调整程序被证明是安全地绕过通过使用计算上便宜的后验校正方法。最后,目前的工作验证了一个事实,即低阶BMBPT计算的基础上的后验(平均)粒子数校正提供控制的结果,并表明,它们可以最佳地补充的特征向量连续方法,以提供结果与子百分之精度。这种方法,因此,计划在不久的将来成为一个实用的开壳层原子核从头计算的主力。

英文摘要:

In order to solve the A-body Schrödinger equation both accurately and efficiently for open-shell nuclei, a novel many-body method coined as Bogoliubov many-body perturbation theory (BMBPT) was recently formalized and applied at low orders. Based on the breaking of U(1) symmetry associated with particle-number conservation, this perturbation theory must operate under the constraint that the average number of particles is self-consistently adjusted at each perturbative order. The corresponding formalism is presently detailed with the goal to characterize the behavior of the associated Taylor series. BMBPT is, thus, investigated numerically up to high orders at the price of restricting oneself to a small, i.e. schematic, portion of Fock space. While low-order results only differ by 2 - 3 % from those obtained via a configuration interaction (CI) diagonalization, the series is shown to eventually diverge. The application of a novel resummation method coined as eigenvector continuation further increase the accuracy when built from low-order BMBPT corrections and quickly converges towards the CI result when applied at higher orders. Furthermore, the numerically-costly self-consistent particle number adjustment procedure is shown to be safely bypassed via the use of a computationally cheap a posteriori correction method. Eventually, the present work validates the fact that low order BMBPT calculations based on an a posteriori (average) particle number correction deliver controlled results and demonstrates that they can be optimally complemented by the eigenvector continuation method to provide results with sub-percent accuracy. This approach is, thus, planned to become a workhorse for realistic ab initio calculations of open-shell nuclei in the near future.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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