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Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory

Wang Zhi-Ping Chen Jian Wu Shou-Yu Wu Ya-Min

Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory

Wang Zhi-Ping, Chen Jian, Wu Shou-Yu, Wu Ya-Min
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  • Received Date:  16 January 2013
  • Accepted Date:  02 March 2013
  • Published Online:  20 June 2013

Study of carbon atomic wire C5 in the laser field by time-dependent density functional theory

  • 1. School of Science, Jiangnan University, Wuxi 214122, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant No. 61178032), the Fundamental Research Fund for the Central Universities , China (Grant No. JUSRP11A21), and the Eleven Five Planning Issues for Higher Education of Jiangsu Province, China (Grant No. JS053).

Abstract: Combining the time-dependent density functional theory with molecular dynamics of ions the excitation of the carbon wire C5 is explored. It is found that the stronger the laser intensity, the more energies are absorbed by C5 and the earlier the ionization takes place and the more electrons are emitted when considering the effect of the laser intensity on the excitation of the carbon wire C5. The study of the influence of the polarization of the laser pulse on the excitation of C5 indicates that the ionization is enhanced and the dipole moment along the laser polarization is strengthened when the laser polarization is along the molecular axis, and the x-direction polarized laser pulse can only excite the dipole oscillation along the x axis, and the y-direction polarized one can only excite Dy. Furthermore, it is found that the synchronicity of the vibration of carbon bonds changes a little due to the enhanced ionization when the laser polarization is along the molecular axis, while the vibration modes of ionized carbon wire C5 are the same as those of the neutral carbon wire C5.

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