量子计算化学 1. In the first part,quantum chemistry calculationwas reviewed in general, its researchprinciple, function and its developing process were described briefly. 第一部分,综述了有关量子计算化学的主要内容,简单叙述了量子计算化学研究原理、功能及其研究发展过程和量子计算化学的三种近似计算方法:半经...