论文标题

Bogoliubov在约束下多体扰动理论

Bogoliubov many-body perturbation theory under constraint

论文作者

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

论文摘要

为了准确,有效地求解AbodySchrödinger方程,用于开放式壳核,一种新型的多体方法被创造为Bogoliubov多体扰动理论(BMBPT),最近被正式化并在低阶中应用。基于与粒子量保护相关的U(1)对称性的破坏,这种扰动理论必须受到限制,即平均粒子数量在每个扰动顺序上是自s谐的。目前详细介绍了相应的形式主义,以表征相关的泰勒系列的行为。因此,BMBPT以数值为单位的高订单,以限制自己为小的(即示意图,fock空间)的价格。虽然低阶结果仅与通过构型相互作用(CI)对角度获得的结果相差2-3%,但该系列最终显示出差异。新颖的重新召集方法的应用是由低阶BMBPT校正构建时的特征向量延续,进一步提高了准确性,并在较高订单下应用时迅速收敛于CI结果。此外,通过使用计算廉价的后验校正方法,显示出数值固定的粒子数量调整程序被证明可以安全地绕过。最终,目前的工作验证了一个事实,即基于A后验(平均)粒子校正的低阶BMBPT计算提供了受控的结果,并证明它们可以通过特征向量持续方法最佳地互补,以提供次级准确性的结果。因此,这种方法计划成为在不久的将来对开放壳核进行现实计算的现实计算的主力。

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.

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