Abstract The potential energy surfaces for C 2 − ( Σ g + 2 ) interacting with He, Ne and Ar are calculated using ab initio quantum chemistry methods. The PES are used to carry out coupled-channel quantum scattering calculations for the three systems to obtain the rotationally inelastic scattering cross sections from which the rotationally inelastic state-changing rate coefficients are computed. These rate coefficients are then used to compute thermalisation times of C 2 − in an ion trap employing He, Ne or Ar as different, and possible, buffer gases. A detailed analysis of their comparative collisional efficiencies is presented for guidance in trap modeling studies.

中文翻译：

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在冷离子阱中用惰性气体热化 C2−

摘要 C 2 - ( Σ g + 2 ) 与He、Ne 和Ar 相互作用的势能面是使用从头算量子化学方法计算的。PES 用于对三个系统进行耦合通道量子散射计算，以获得旋转非弹性散射截面，从中计算旋转非弹性状态变化率系数。然后使用这些速率系数来计算离子阱中 C 2 - 的热化时间，该离子阱采用 He、Ne 或 Ar 作为不同且可能的缓冲气体。详细分析了它们的比较碰撞效率，以指导陷阱建模研究。