Li Chen
Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China.
J Phys Chem A. 2021 Jun 17;125(23):5146-5151. doi: 10.1021/acs.jpca.1c00698. Epub 2021 Jun 7.
We provide the exact analytical solution of the ground-state hydrogenic problem with soft Coulomb potential in 1-, 2- and 3-D. We show that the wave function is an analytical function of the inverse of the soft Coulomb potential and identify a power term, an exponentially decaying term and a mildly varying modulator function on the exponential. In approaching the bare Coulomb limit, only the exponentially decaying term survives in 2D and 3D and converges to the well-known result. This is in contrast with the 1D case, where the wave function shrinks to a delta function with a total energy of minus infinity. The asymptotic behavior of the energy in such limit has been analyzed. Moreover, by analyzing the solution in different dimensions, we find that the total energy increases with dimension and scales linearly rather than quadratically with the nuclear charge in the large limit.
我们给出了一维、二维和三维中具有软库仑势的基态类氢问题的精确解析解。我们表明波函数是软库仑势倒数的解析函数,并确定了一个幂次项、一个指数衰减项以及指数上的一个缓慢变化的调制函数。在趋近于裸库仑极限时,在二维和三维中只有指数衰减项存活并收敛到著名的结果。这与一维情况形成对比,在一维中波函数收缩为一个能量为负无穷的狄拉克函数。已经分析了在此极限下能量的渐近行为。此外,通过分析不同维度的解,我们发现在大核电荷极限下总能量随维度增加且与核电荷呈线性而非二次方比例关系。