Rotational excitation of HCN by collisions
Rotational excitation of HCN by collisions
复制标题
碰撞引起的 HCN 旋转激发
DOI：
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发表时间：
1974
期刊：
影响因子：
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通讯作者：
P. Thaddeus
中科院分区：
文献类型：
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作者：
S. Green;P. Thaddeus
从第一性原理计算的速率常数HCN的旋转激发与He原子在100 K以下的温度下的碰撞，并以表格形式呈现。势能面是通过使用Gordon和Kim（1972）的均匀电子气模型得到的，然后平滑地连接到在大分离下有效的渐近长程微扰理论势。用量子密耦理论分析了碰撞动力学。据信，在30 K以上，单个速率的精确度在50%以内，在20 K以下，精确度在2倍以内。结果应扩展到激发碰撞H2，因此可能是有价值的星际云的研究。
Rate constants for the rotational excitation of HCN by collisions with He atoms at temperatures below 100 K were computed from first principles and are presented in tabular form. The potential energy surface was obtained by using the uniform electron gas model of Gordon and Kim (1972) and then joined smoothly to the asymptotic long-range perturbation theory potential valid at large separations. Quantum close-coupling theory was used to analyze the collision dynamics. Individual rates are believed to be accurate to within 50% above 30 K and within a factor of two below 20 K. The results should be extendable to excitation by collision with H2 and may therefore be of value in the study of interstellar clouds.