论文标题
远距离离子 - 偶极电势中的量子反应性散射
Quantum reactive scattering in the long-range ion-dipole potential
论文作者
论文摘要
离子和极性分子通过各向异性离子 - 偶极电位缩放在较大距离上的$-α\ cos（θ）/r^2 $相互作用。由于其远程特征，它修改了角波函数的特性，而角波函数不再由球形谐波给出。另外，径向方程中有效的离心电位可能对低角度动量有吸引力。在本文中，我们为离子 - 偶极反应散射开发了一个通用框架，重点是大$α$。我们引入了修改后的球形谐波作为Schrödinger方程的角部分的解决方案，并在大于$α$的极限的情况下得出了几个有用的近似值。我们提出了一种按照修饰的球形谐波表示散射幅度的公式，并为弹性和反应性碰撞速率提供了表达式。径向方程的溶液由贝塞尔函数给出，我们在两个不同的方向上分析了它们的行为，基本上是与有吸引力和排斥的长距离离心电位相应的。最后，我们研究了通用状态中的反应性碰撞，其中损失或反应的短距离概率等于统一。
An ion and a polar molecule interact by an anisotropic ion-dipole potential scaling as $- α\cos (θ)/r^2$ at large distances. Due to its long-range character, it modifies the properties of angular wave functions, which are no longer given by spherical harmonics. In addition, an effective centrifugal potential in the radial equation can become attractive for low angular momenta. In this paper, we develop a general framework for an ion-dipole reactive scattering, focusing on the regime of large $α$. We introduce modified spherical harmonics as solutions of the angular part of the Schrödinger equation and derive several useful approximations in the limit of large $α$. We present a formula for the scattering amplitude expressed in terms of the modified spherical harmonics and we derive expressions for the elastic and reactive collision rates. The solutions of the radial equation are given by Bessel functions, and we analyse their behaviour in two distinct regimes corresponding, basically, to attractive and repulsive long-range centrifugal potentials. Finally, we study reactive collisions in the universal regime, where the short-range probability of loss or reaction is equal to unity.
