Error sources in the standard numerical integration of the Schrödinger equation: An improved method
Error sources in the standard numerical integration of the Schrödinger equation: An improved method
复制标题
薛定谔方程标准数值积分中的误差源：一种改进方法
DOI：
10.1016/0021-9991(85)90184-6
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发表时间：
1985
影响因子：
4.1
通讯作者：
L. L. Salcedo
中科院分区：
文献类型：
--
作者：
E. Oset;L. L. Salcedo
通过查看解的误差和该方法的精度极限，对求解薛定谔方程的标准 Numerov 方法进行了数值研究。与改进方法的结果进行比较，该方法追溯所有误差源，最小化误差并使每个误差源的误差与其他误差源具有可比性，以优化计算时间。在给定一定精度的情况下，计算时间的缩减因子超过 100。另一方面，固定一定的计算时间，精度会大幅提高。事实证明，改进的方法特别适合研究弱束缚态、不连续势、奇异势或混合原子和核自由度的势。
A numerical study of the standard Numerov method for the solution of the Schrödinger equation is done by looking at the errors of the solution and the limits of precision for this method. Comparison is made with the results of an improved method that traces back all sources of errors, minimizing them and making the error of each of the sources of comparable magnitude to the others in order to optimize the computing time. A reduction factor of more than 100 is found for the computing time, given a certain accuracy. On the other hand, fixing a certain computational time, a substantial increase in accuracy is gained. The improved method proves particularly suitable for the study of weakly bound states, potentials with discontinuities, singular potentials, or those mixing atomic and nuclear degrees of freedom.