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Grand canonical Gutzwiller approximation for magnetic inhomogeneous systems

机译：磁非均匀系统的大正则Gutzwiller逼近

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摘要

The Gutzwiller approximation (GA) for Gutzwiller-projected grand canonical wave functions with fugacity factors is investigated in detail. Our systems in general contain inhomogeneity and local magnetic moments. In deriving renormalization formulas, we also derive or estimate terms of higher powers of intersite contractions neglected in the conventional GA. We examine several different constraints, i.e., local/global spin-dependent/ independent particle-number conservation. Out of the four, the local spin-dependent constraint seems the most promising at present. An improved GA derived from it agrees with the variational Monte Carlo method better than the conventional GA does. The corrections to the conventional GA can be interpreted as two-site correlation including the phase difference of configurations. Furthermore, projected quasiparticle excited states are orthogonal to each other within the GA. Using these states, spectral weights are calculated. We show that asymmetry between electron addition and removal spectra can appear by taking into account the higher powers of the intersite contractions in the case of the d-wave superconductors and the Fermi sea; the addition is smaller than the removal. However, the asymmetry is quite weak especially near the Fermi level. In contrast, projected s-wave superconductors can have the opposite asymmetry (addition larger than removal) especially near the Fermi level. In addition, formulas from the other three constraints are also derived, which may be useful depending on purposes.
机译：详细研究了具有逸散因子的古兹威勒投影大正则波函数的古兹威勒近似（GA）。我们的系统通常包含不均匀性和局部磁矩。在推导重正化公式时，我们还推导或估计了常规遗传算法中忽略的站点间收缩的更高幂的项。我们研究了几种不同的约束条件，即局部/全局自旋相关/独立的粒子数守恒。在这四个中，局部自旋相关约束似乎是最有前途的。由它派生的改进遗传算法比常规遗传算法更好地适合变分蒙特卡罗方法。常规GA的校正可以解释为包括配置相位差的两点相关。此外，在GA中，投影的准粒子激发态彼此正交。使用这些状态，可以计算频谱权重。我们表明，在d波超导体和费米海的情况下，考虑到位间收缩的较高功率，可以在电子添加和去除光谱之间出现不对称现象。添加量小于清除量。但是，不对称性非常弱，尤其是在费米能级附近。相反，投射的s波超导体可能具有相反的不对称性（加法大于除法），尤其是在费米能级附近。此外，还从其他三个约束条件中导出了公式，这些公式可能根据目的而有用。

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