采用量子化学软件计算功能材料的光物理过程。目前支持调用gaussian16软件，pyscf软件，考虑到商业化问题，商业化平台需调用pyscf软件。 运行g16的案例在g16文件夹，目前支持吸收、发射能计算、重组能计算、吸收光谱计算 运行pyscf的案例待更新
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