The first principles momentum dependent local ansatz wavefunction method (MLA) has been extended to the ferromagnetic state by introducing spin-dependent variational parameters. The theory is applied to the ferromagnetic Fe, Co, and Ni. It is shown that the MLA yields the magnetizations being comparable to the results obtained by the generalized gradient approximation (GGA) in the density functional theory. The projected momentum distribution functions as well as the mass enhancement factors are also calculated on the same footing, and are compared with those in the paramagnetic state. It is shown that the calculated mass enhancement factor of Fe is strongly suppressed by the spin polarization due to exchange splitting of the e_g flat bands, while those of Co and Ni remain unchanged by the polarization. These results are shown to be consistent with the experimental results obtained from the low-temperature specific heats.

中文翻译：

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金属铁磁性的动量依赖局部Ansatz方法

通过引入自旋相关的变分参数，第一原理依赖于动量的局部anstz波函数方法（MLA）已扩展到铁磁状态。该理论适用于铁磁性的Fe，Co和Ni。结果表明，MLA产生的磁化强度与密度泛函理论中的广义梯度近似（GGA）获得的结果相当。预计的动量分布函数以及质量增强因子也可以在相同的基础上计算，并与顺磁性状态下的动量分布函数进行比较。结果表明，由于e _g的交换分裂，自旋极化极大地抑制了计算得出的Fe的质量增强因子。平坦的带，而钴和镍的带由于极化而保持不变。这些结果显示与从低温比热获得的实验结果一致。