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介绍了双中心原子轨道紧耦合方法计算离子原子碰撞的单俘获截面的基本原理,对于双中心 原子轨道紧耦合方法,找到一种系统化计算模型参数的方法,并根据该方法得到有关模型参 数,计算了O6+离子与H碰撞系统,所得计算结果在实验误差范围内与实验值很 好符合.
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关键词:
- 双中心原子轨道紧耦合 /
- 单俘获截面 /
- 模型势 /
- 半经典碰撞参数模型 /
- Numer ov算法
The basic idea of two-centre atomic orbital close coupling method is introduced in ion-atom collision process. We have found a systematic procedure to obtain th e parameter in close coupling calculation. We calculate the single electron capt ure cross sections for the collision of the multiply charged O6+ ion s with hydrogen atoms. The present calculations are in good agreement with exper imental data.-
Keywords:
- two-centre atomic orbital close coupling method /
- single electron capture cross section /
- model potential /
- semiclassical impact parameter model /
- Numerov algorithm
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