【关键词】Charge transfer External electric field First hyperpolarizability Nonlinear optical property Single-walled carbon nanotube 外电场 电荷转移 碳纳米管 第一超极化率 非线性光学开关 Charge transfer External electric field First hyperpolarizability Nonlinear optical property Single-walled carbon nanotube
【摘要】 In the present work, optimized geometric structures with all real frequencies under various external electric field strengths from 0 to 200 × 10-4 au are obtained for five carbon nanotubes with the different diameters at the B3LYP/6-31 G* level...
