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中国物理学会期刊

Ne同位素替代下Ne-HF碰撞截面的理论计算

CSTR: 32037.14.aps.61.093101

The calculation of excitation cross-sections of collisions between Ne isotope atoms with HF molecule

CSTR: 32037.14.aps.61.093101
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  • 采用Huxley势函数拟合QCISD(T)/ aug-cc-pVTZ计算的相互作用势能面,通过精确度较高的密耦近似方法计算了E=100 meV时,氖原子的三种同位素 16Ne, 20Ne, 34Ne与HF分子碰撞系统的微分截面和分波截面.探讨了Ne的同位素替代引起的Ne-HF碰撞激发 截面的变化规律.

     

    In this paper, we use the Huxley potential function to fit the interaction energy data, which have been calculated at the theoretical level of the QCISD(T)/aug-cc-pVTZ. Differential and partial cross-sections of 16Ne, 20Ne, 34Ne atoms and HF molecule collisions are calculated by the accurate close-coupling approximation method when the incident energy is 100meV. We study the changing tendencies of Ne-HF collisional cross-sections with Ne isotopic substitution.

     

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