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中国物理学会期刊

用扩展OLCAO方法计算稀土Gd的电子结构

CSTR: 32037.14.aps.37.2011

EXTENSION OF OLCAO METHOD FOR THE CALCULATION OF ELECTRONIC STRUCTURE OF RARE-EARTH Gd

CSTR: 32037.14.aps.37.2011
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  • 将原子轨道线性组合法扩展至f电子,计算了Gd金属的能带结构和态密度,并和平面波方法及光谱实验作了对比。

     

    The OLCAO method is extended to treat f-electron system, band structure and density of states for metal gadonium are calculated and compared with APW method and experiments of photoemission spectroscopy.

     

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