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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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