Efficient simulation of quantum chemistry problems in an enlarged basis set

Data repository v3 for "Efficient simulation of quantum chemistry problems in an enlarged basis set". The source code (for constructing isometric THC factors and simulating the quantum algorithm) is available on Github: https://github.com/carrot6869/Isometric-THC本数据集仓库v3对应研究《扩展基组下量子化学问题的高效模拟》。用于构建等距THC因子与模拟量子算法的源代码已托管于GitHub，仓库地址为：https://github.com/carrot6869/Isometric-THC