自1927年 Heitler-London 用量子力学原理处理氢分子获得成功以来的半个多世纪中,量子化学的发展极为迅速。现在,它已渗透到化学领域中的各个重要分支学科,并与其它领域中的学科相结合,形成了一些边缘学科,如量子生物化学、量子药物化学、表面量子化学等。就量子化学自身的科学研究而言,基本上可以 For more than half a century since Hentler-London succeeded in treating hydrogen molecules with the principle of quantum mechanics in 1927, the development of quantum chemistry has been extremely rapid. Now, it has penetrated into various important branch disciplines in the field of chemistry and combined with disciplines in other fields to form some marginal disciplines such as quantum biochemistry, quantum chemical chemistry, surface quantum chemistry, and the like. In terms of quantum chemistry’s own scientific research, basically it can