New H2O–H2O collisional rate coefficients for cometary applications
New H2O–H2O collisional rate coefficients for cometary applications
复制标题
用于彗星应用的新 H2O–H2O 碰撞率系数
DOI：
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发表时间：
2020
影响因子：
4.8
通讯作者：
M. Dubernet
中科院分区：
文献类型：
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作者：
C. Boursier;B. Mandal;D. Babikov;M. Dubernet
我们重新介绍了一种基于为确定展宽系数而发展的理论的半经典方法。我们表明，这种简单且极快的方法提供的结果与使用更复杂的MQCT方法获得的结果很好地一致。这种半经典的方法可能是另一种方法，它允许为非常复杂的分子系统提供大量的碰撞数据。它节省了势能面的确定和碰撞动力学计算的时间。此外，本文还提供了水分子热平均扰动下H2O的旋转去激发截面和速率系数的更完整的集合。这些数据可用于彗星大气的辐射传输模型。
We re-introduce a semiclassical methodology based on theories developed for the determination of broadening coefficients. We show that this simple and extremely fast methodology provides results that are in good agreement with results obtained using the more sophisticate MQCT approach. This semiclassical methodology could be an alternative approach which allows to provide large sets of collisional data for very complex molecular systems. It saves time both on the determination of potential energy surfaces and on the collisional dynamical calculations. In addition, this paper provides more complete sets of rotational de-excitation cross-sections and rate coefficients of H2O perturbed by a thermal average of water molecules. Those data can be used in the radiative transfer modelling of cometary atmospheres.
虚拟原子和分子数据中心 (VAMDC) 联盟
DOI：
10.1088/0953-4075/49/7/074003
发表时间：
2016
期刊：
Atomic, Molecular and Optical Physics
影响因子：
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作者：
Dubernet M
通讯作者：
Dubernet M