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首页> 外文期刊>Chemical Physics Letters >HCO ~+ dissociation in a strong laser field: An ab initio classical trajectory study
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HCO ~+ dissociation in a strong laser field: An ab initio classical trajectory study

机译:HCO〜+在强激光场中的离解:从头开始的经典轨迹研究

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摘要

We have investigated the photodissociation of HCO ~+ in a strong field with a wavelength of 10 lm using ab initio molecular dynamics. Classical trajectories were calculated at three field intensities. At 2.9 × 10 ~(14) W/cm ~2 and phase φ = 0, protons have two distinct dissociation times, mainly due to the reorientation of HCO + relative to the field direction prior to dissociation. The kinetic energy distribution at this intensity agrees with Wardlaw's wagging tail model, suggesting that dissociation occurs through barriersuppression. At 1.7 × 10 ~(14) and 8.8 × 10 ~(13) W/cm ~2, barrier suppression is incomplete and the maximum kinetic energy is less than predicted by the wagging tail model.
机译:我们使用从头算分子动力学方法研究了在波长为10 lm的强场中HCO〜+的光解离。在三个场强下计算经典轨迹。在2.9×10〜(14)W / cm〜2且相位φ= 0时,质子具有两个不同的解离时间,这主要是由于HCO +在解离之前相对于电场方向的重新定向。在此强度下的动能分布与Wardlaw的摇摆尾巴模型一致,表明离解是通过障碍抑制而发生的。在1.7×10〜(14)和8.8×10〜(13)W / cm〜2时,势垒抑制不完全,最大动能小于摇摆尾巴模型的预测值。

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