Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.
J Chem Phys. 2012 Jul 14;137(2):024103. doi: 10.1063/1.4733288.
We show that the cross sections for molecule-molecule collisions in the presence of an external field can be computed efficiently using a total angular momentum basis, defined either in the body-fixed frame or in the space-fixed coordinate system. This method allows for computations with much larger basis sets than previously possible. We present calculations for (15)NH-(15)NH collisions in a magnetic field. Our results support the conclusion of the previous study that the evaporative cooling of rotationally ground (15)NH molecules in a magnetic trap has a prospect of success.
我们表明，在外场存在的情况下，使用总角动量基可以有效地计算分子-分子碰撞截面，可以在体坐标系或空间坐标系中定义该基。这种方法允许使用比以前更大的基组进行计算。我们给出了磁场中(15)NH-(15)NH 碰撞的计算结果。我们的结果支持了先前研究的结论，即在磁场陷阱中旋转基态(15)NH 分子的蒸发冷却有望成功。
