论文标题
Löwdin在绿色功能理论中的对称困境的一维哈伯德模型
Löwdin's symmetry dilemma within Green functions theory for the one-dimensional Hubbard model
论文作者
论文摘要
使用分析方法和密度 - 元素固定组(DMRG)模拟对一维系统的相关哈伯德群集的能量缺口进行了很好的研究。然而,超过1D,仅量子蒙特卡洛仅适用于小型系统。因此,由于DMRG在模拟2D和3D系统中的问题,诸如绿色函数与多体近似(GFMBA)相结合的替代方法(没有这种限制)非常重要。但是,无论GFMBA模拟的近似特征是否阻止了Hubbard Gap的计算,它仍然保持开放。在这里,我们提出了新的GFMBA结果,该结果表明GFMBA模拟能够为差距生成可靠的数据,这与1D中的DMRG基准非常吻合。一个有趣的观察结果是,当模拟放弃对确切系统的某些对称限制(例如自旋对称性和空间均匀性)时,间隙的准确性可以显着提高。这被视为Löwdin引入的Hartree - fock波函数计算的“对称困境”的表现和概括。
The energy gap of correlated Hubbard clusters is well studied for one-dimensional systems using analytical methods and density-matrix-renormalization-group (DMRG) simulations. Beyond 1D, however, exact results are available only for small systems by quantum Monte Carlo. For this reason and, due to the problems of DMRG in simulating 2D and 3D systems, alternative methods such as Green functions combined with many-body approximations (GFMBA), that do not have this restriction, are highly important. However, it has remained open whether the approximate character of GFMBA simulations prevents the computation of the Hubbard gap. Here we present new GFMBA results that demonstrate that GFMBA simulations are capable of producing reliable data for the gap which agrees well with the DMRG benchmarks in 1D. An interesting observation is that the accuracy of the gap can be significantly increased when the simulations give up certain symmetry restriction of the exact system, such as spin symmetry and spatial homogeneity. This is seen as manifestation and generalization of the "symmetry dilemma" introduced by Löwdin for Hartree--Fock wave function calculations.