Godehusen Kai, Richter Tobias, Zimmermann Peter, Martins Michael
Technische Universität Berlin, Hardenbergstrasse 36, D-10623 Berlin, Germany.
Phys Rev Lett. 2002 May 27;88(21):217601. doi: 10.1103/PhysRevLett.88.217601. Epub 2002 May 10.
The photoabsorption spectrum of the 2p-3d resonances and the 2p photoelectron spectrum of atomic Ni were investigated both experimentally and theoretically. The analysis of the spectra takes into account that at the evaporation temperature of the metal at about 1800 K the fine structure states 3d(8) 4s(2) 3F and 3d(9) 4s 3D of both configurations 3d(8) 4s(2) and 3d(9) 4s are populated. The population of these two configurations offers the unique possibility for a comparison with the corresponding spectra in the condensed phase (Ni metal and NiO) where current configuration interaction calculations use the mixture of the configurations (3d,4s)(10). By using our theoretical description of the 2p photoionization new insight into these condensed phase spectra is found.
对原子镍的2p - 3d共振光吸收光谱和2p光电子能谱进行了实验和理论研究。光谱分析考虑到，在约1800 K的金属蒸发温度下，两种组态3d(8)4s(2)和3d(9)4s的精细结构态3d(8)4s(2)3F和3d(9)4s 3D都被填充。这两种组态的填充为与凝聚相（镍金属和氧化镍）中相应光谱进行比较提供了独特的可能性，在凝聚相的情况下，当前的组态相互作用计算使用组态(3d,4s)(10)的混合。通过使用我们对2p光电离的理论描述，发现了对这些凝聚相光谱的新见解。
