二乙酰分子内价轨道4ag+4bu的电子动量谱学研究

在高分辨率(ΔE=115eV, Δp≈01a.u.)电子动量谱仪上获得了二乙酰分子(d iacetyl)最内价轨道4ag_g+4bu_u的电离能谱和动量谱的实验结果， 并用Hartree-Fock和密度泛函理论方法做了理论计算.实验结果与理论计算符合较好. 关键词： 二乙酰 内价轨道 电离能 电子动量谱

Investigation of electron momentum spectroscopy for inner valence orbitals 4a gg+4buu of diacetyl

The ionization energy spectra and the spherically averaged momentum distributions of inner valence orbitals for diacetyl have been investigated by using a high resolution (ΔE=115eV, Δp≈01a.u.) electron momentum spectrometer. The impact energy was 1200eV plus binding energy (i.e. 1201—1240eV) and a symmetric non-coplanar kinematics was employed. The experimental ionization energy spectra have been compared with the published photoelectron spectra. The momentum profiles of inner valence orbitals 4ag_g+4bu_u have been compar ed with the theoretical calculations obtained using Hartree-Fock method and den sity functional theory．The measured momentum distribution is consistent with th e theoretical calculations.