改进的Numerov格式用于Rydberg原子结构的计算

An improved Numerov algorithm of Rydberg atomic structure calculation

为解决原子Rydberg态的数值计算问题 ,提出一种改进的Numerov算法。利用此算法计算了H原子n=10 ,2 0 ,…… 90 ,10 0各Rydberg态的能级值和平均半径 ,并与严格理论值进行了比较。研究结果表明 ,通过选择适当的Numerov格式 ,可得到所要求精度的能级和波函数。

An improved Numerov algorithm to solve the problems of digital calculations of Rydberg states of atoms is reported. By using the method, we get the hydrogenic energy values and average radius of Rydberg states for n=10,20,...,900,100. Comparing the data with those of rigid theory values, we get the results that we could calculate the energy and wave functions those reach the required accurate by choosing the proper Numerov algorithm. Thus the improved algorithm provides an effective computational method for the further study of Rydberg atoms.