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利用Green函数方法研究聚丁二炔(PDA's)对光的吸收。在紧束缚近似范围内,定义一个包括Coulomb作用的Hamiltonian,然后利用无规位相近似(RPA),计算了两电子Green函数,讨论了PDA's的某些激发态性质,计算了吸收谱,它与实验事实符合。Light absorption of polydiacetylene chains has been investigated using Green's function. In tight-binding approximation, we defined a Hamiltonian at first, then computed two-electron Green's function using random phase approximation, discussed some properties of excited-states for PDA's, calculated light absorption spectra and compared with experiments.
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