两种结构的C_4分子在激光场中的响应

Radiations of C_4 with Two Structures in Laser Field

运用含时密度泛函理论和分子动力学相结合的方法,研究线形和环形C4分子的光吸收谱及在强激光场中的电子和离子响应.研究表明,在相同的激光参数下,线形C4分子主要是电子获得能量,而环形C4分子主要是离子获得能量;线形C4分子的电离增强,x方向的激光场仅激发起线形C4分子的Dx的偶极振动,但是能激发起环形C4分子Dx的偶极振动及Dy的非偶极振动.

With time-dependent density functional theory and molecular dynamics excitations of linear and rhombic C4 in intense laser field are explored. It is found that electrons of linear C4 obtain more energy while ions of rhombic C4 get more from the laser filed. Ionization is enhanced as C4 owns a linear structure. As laser polarization is along the x axis there is only D excitation of a linear C4 while dioole oscillations of a rhombic CA in x and y directions are excited.