物理学报Issue(23)：233102-1-233102-7,7.DOI:10.7498/aps.62.233102
CO分子在线性极化飞秒激光场中的TDDFT研究
TDDFT studies on CO in a linear polarized femtosecond laser field
摘要
Abstract
We present a theoretical study on the ionization and excitation dynamics of CO in various linear-polarized laser fields with in the frame work of the time-dependent density functional theory (TDDFT), applied to valence electrons, coupled non-adiabatically with molecular dynamics of the ions. It is found that the stronger the laser intensity, the more the energies are absorbed by CO and the earlier the ionization takes place with more electrons emitted. Moreover, the bond length of CO is stretched associated with more violent contraction vibration. The dipole moment along the laser polarization is enlarged when the laser intensity is enhanced. This study on the influence of the polarization of laser pulse on the excitation of CO indicates that the ionization of CO is maximized and the contraction vibration becomes most violent when the laser is polarized along the molecular axis. Ionization is restrained when the polarization angle is increased and the dipole vibration shows a strong dependence on the laser polarization. Furthermore, it is found that the electron density surrounding the carbon atom is distributed along the molecular axis particularly when the dispersion of the electrons around the oxygen atom is greatly influenced by the laser polarization.关键词
含时密度泛函理论/分子动力学/分子电离Key words
TDDFT/the molecular dynamics/the ionization of molecules引用本文复制引用
王志萍,朱云,吴鑫,吴亚敏..CO分子在线性极化飞秒激光场中的TDDFT研究[J].物理学报,2013,(23):233102-1-233102-7,7.基金项目
国家自然科学基金(批准号:61178032)、中央高校基本科研业务费专项资金(批准号:JUSRP11A21)和江苏省高等教育学会“十一五”教育科学规划(批准号:JS053)资助的课题.*Project supported by the National Natural Science Foundation of China (Grant No.61178032), the Fundamental Research Funds for the Central Universities (Grant No.11A21), and the“Eleven Five”planning issues for higher education of Jiangsu province (Grant No. JS053) （批准号:61178032）
