Abstract

The example of the lowest ¹S resonance of the H^– anion demonstrates that the resonance energy and its width calculated by way of finding the optimal point using the method of the complex absorbing potential has a systematic error, whose magnitude depends on the parameters of the absorbing potential and on the approximation used to solve the Schrödinger equation. It is shown that the accuracy of the calculation of resonance parameters can be improved if you replace finding the optimal point with averaging over the trajectory closure interval.

中文翻译：

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用复吸收势法计算H-离子的最低共振1S态。

摘要

最低的例子^1和为H第共振^-阴离子表明，通过寻找使用复杂的吸收潜力的方法的最佳点的方式计算出的谐振能量，并且其宽度具有一系统误差，其大小取决于所述参数吸收势和用于解薛定ding方程的近似值。结果表明，如果用轨迹闭合间隔的平均值代替寻找最佳点，则可以提高共振参数的计算精度。