کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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5374663 | 1389290 | 2011 | 4 صفحه PDF | دانلود رایگان |
In the framework of the time-dependent density functional theory, we have performed 3D calculations of multiphoton ionization of Li and Be atoms by strong near-infrared laser fields. The results for the intensity-dependent probabilities of single and double ionization are presented. We make use of the time-dependent Krieger-Li-Iafrate exchange-correlation potential with self-interaction correction (TD-KLI-SIC). Such a potential possesses an integer discontinuity which improves description of the ionization process. However, we have found that the discontinuity of the TD-KLI-SIC potential is not sufficient to reproduce characteristic feature of double ionization.
⺠Multiphoton ionization is calculated by time-dependent density functional theory. âºExchange-correlation potential is built by time-dependent Krieger-Li-Iafrate method. ⺠Integer discontinuity of the potential improves description of ionization. ⺠Probabilities of single ionization of Li and double ionization of Be are presented.
Journal: Chemical Physics - Volume 391, Issue 1, 24 November 2011, Pages 88-91