The electronic structure, UV-visible spectrum, excited states molecular dynamics and micro-mechanism of reverse saturable absorption copper phthalocyanine molecule have been studied by using ROHF-INDO / SDCI method associated with experiment.

• 用ROHF-INDO/SDCI方法结合实验研究了酞菁铜分子的电子结构、紫外-可见光谱、激发态分子动态学和反饱和吸收的微观机制.