连续态数值波函数归一化的近似计算及TRK求和中余项的积分处理
Approximate Normalization of Numeric Continuum State Wave Functions and Integral Processing of Residues in TRK Sums
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摘要: 采用改进的Numerov格式,对连续态波函数及其归一化问题作了细致的计算.指出了Cowan在ε→0时状态波函数的归一化中存在的问题,给出了更加准确、有效的归一化计算目的.为了检验这一算法,计算了氢原子各状态(l=0~3)下的Thomas-Reiche-Kuhn(TRK)和.利用最小二乘法,给出了TRK求和中无穷项的渐近函数形式,并由此采用积分目的得到了余项的近似计算结果.Abstract: With an improved Numerov algorithm, continuum state wave functions and its normalization are investigated. Cowan' s normalization is discussed and a more precise and effective calculation is offered. We calculate the Thomas-Reiche-Kuhn(TRK) sum of several hydrogen atomic states (l=0~3). The least-squared method is used to generate infinite asymptotical forms of TRK. The residues are approximately calculated with an integral processing.
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