Ni的价带康普顿轮廓谱的静态修正与动态关联效应
Static corrections versus dynamic correlation effects in the valence band Compton profile spectra of Ni
摘要：
我们用密度泛函理论的局域密度近似方法计算了Ni的康普顿轮廓，并在不同水平上处理了电子相关。总/磁康普顿配置文件显示，不仅定量，而且定性的显着差异取决于天气哈伯德校正处理在平均场+U或在一个更复杂的动态方式。我们的目的是讨论电子关联的范围和能力，以修改动能沿特定的空间方向。讨论了康普顿轮廓差的二阶和四阶矩随局域库仑相互作用强度$U$的变化。
英文摘要：
We compute the Compton profile of Ni using the Local Density Approximation of Density Functional Theory supplemented with electronic correlations treated at different levels. The total/magnetic Compton profiles show not only quantitative but also qualitative significant differences depending weather Hubbard corrections are treated at a mean field +U or in a more sophisticated dynamic way. Our aim is to discuss the range and capability of electronic correlations to modify the kinetic energy along specific spatial directions. The second and the fourth order moments of the difference in the Compton profiles are discussed as a function of the strength of local Coulomb interaction $U$.
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