ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, USA.
J Phys Chem A. 2009 Dec 31;113(52):14670-80. doi: 10.1021/jp904512r.
We present rigorous quantum calculations for low-temperature collisions of OH((2)Pi) molecules with He atoms in the presence of external electric and magnetic fields. We show that electric fields of less than 15 kV/cm can be used to enhance the probability for Stark relaxation in collisions of OH (F(1), J = 3/2, M = 3/2, f) molecules by 3 orders of magnitude. The inelastic cross sections display a pronounced resonance structure as a function of the electric field strength. We find that collisions of rotationally excited OH molecules become less sensitive to electric fields with increasing rotational excitation. The calculated total cross sections for (4)He-OH are dominated by elastic scattering, increase monotonically with decreasing collision energy, and show no rapid variations near thresholds, at variance with recent experimental observations (Sawyer et al. Phys. Rev. Lett. 2008, 101, 203203).
我们提出了严格的量子计算,用于研究在外部电场和磁场存在下,OH((2)Pi)分子与 He 原子在低温下的碰撞。我们表明,电场强度小于 15 kV/cm 时,可以将 OH (F(1), J = 3/2, M = 3/2, f)分子的 Stark 弛豫概率提高 3 个数量级。非弹性截面作为电场强度的函数显示出明显的共振结构。我们发现,随着转动激发的增加,转动激发的 OH 分子的碰撞对电场的敏感性降低。计算得到的 (4)He-OH 的总截面主要由弹性散射主导,随着碰撞能量的降低单调增加,并且在接近阈值时没有快速变化,这与最近的实验观察结果(Sawyer 等人,Phys. Rev. Lett. 2008, 101, 203203)不同。