量子化学中的电子轨道成像术

ELECTRON ORBITAL IMAGING IN QUANTUM CHEMISTRY

文章通过两个具体的实例阐明一个重要的观点：以电子动量谱学实验提供的电子能谱和电子动量谱为依据，人们可以在众多的量子化学轨道理论中择优．在此理论基础上，利用现代计算机图像技术，人们既可以在位置坐标空间中，也可以在动量空间中以不同的图形将电子轨道展示出来，这就是新近人们称之为电子轨道成像技术或“看”电子轨道的技术．电子轨道成像术能积极地促进电子动量谱学与邻近各学科的交叉．

The results of quantum orbital calculation can be examined based on the electronic energy and momentum spectra from electron momentum spectroscopy experiments.Furthermore,the electron orbital pattern can be shown in both real space and momentum space by using computer imaging,which is known as electron orbital imaging.This method can be also used in related fields, such as atom physics,solid state physics,and so forth.