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研究物质的微观结构和宏观物理化学性能之间的内在联系,是理论化学的重要课题。量子力学的建立为理论化学提供了最有力的武器,并且在用于研究分子的结构中产生了量子化学。量子化学是从普遍的量子力学原理出发,
It is an important topic of theoretical chemistry to study the intrinsic relationship between the microstructure of the material and the macroscopic physicochemical properties. The establishment of quantum mechanics has provided the most powerful weapon for theoretical chemistry and has generated quantum chemistry in the structures used to study the molecules. Quantum chemistry is based on the principle of universal quantum mechanics,