量子化学是理论化学中的一个部门,它在量子力学的概念和方法的基础上,研究化学键的本质、分子的结构和反应性能以及化学反应需要活化能的原因等等。在这个领域中,第一个课题是关于原子结合成稳定的分子的原因问题,即形成化学键的原因问题。在量子理论以前的阶段中,人们曾企图根据单纯的静电学概念,即在异名离子相互吸引的基础上来说明化学 Quantum chemistry is a branch of theoretical chemistry. Based on the concepts and methods of quantum mechanics, quantum chemistry studies the nature of chemical bonds, the structure and reactivity of molecules, and the reasons why activation energy is needed for chemical reactions. In this area, the first topic is about the reason why atoms combine into stable molecules, that is, the reason for the formation of chemical bonds. In the previous stages of quantum theory, attempts were made to explain chemistry based on the purely electrostatic concept of attracting each other with synonyms