原子或分子在紫外线、x射线等能量较高的电磁波作用下,会有电子逸出。测量这些电子的能量分布,可以得到电子的能谱,称为光电子能谱(Photoelectron Spectra简写作PES)。光电子能谱的文献报导最早见于1961—1964年间,苏联和英国两个研究组分别发表了他们首批实验结果~([1][3])。十多年来,这种实验方法引起了广泛的重视,特别是它作为核对量子化学近似计算结果和在分析方面的应用这两个方面,显得更为突出。 Atoms or molecules in the ultraviolet, x-ray and other high energy electromagnetic waves, there will be electronic escape. Measuring the energy distribution of these electrons yields an electron spectrum, called Photoelectron Spectra (PES). Photoelectron spectroscopy was first reported in the literature from 1961 to 1964, the Soviet Union and the United Kingdom two research groups published their first experimental results ~ ([1] [3]). More than a decade, this experimental method has attracted widespread attention, especially as it checks and quantifies the approximate results of quantum chemistry and the application of the two aspects of the more prominent.