Rigorous method for computing photoabsorption cross sections from a basis-set expansion
Rigorous method for computing photoabsorption cross sections from a basis-set expansion
复制标题
从基组展开计算光吸收截面的严格方法
DOI：
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发表时间：
1975
期刊：
影响因子：
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通讯作者：
V. McKoy
中科院分区：
文献类型：
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作者：
T. Rescigno;V. McKoy
我们提出了一个严格的技术，这应该是适用于原子和分子，计算光吸收截面使用平方可积基函数。该技术基于Nuttall及其同事开发的复坐标方法。与其他一些L2方法相比，计算直接收敛于真实的能量。该方法说明了原子氢的情况下应用。
We present a rigorous technique, which should be applicable to both atoms and molecules, for calculating photoabsorption cross sections using square-integrable basis functions. The technique is based on the method of complex coordinates as developed by Nuttall and co-workers. In contrast to some other L2 methods, the calculations converge directly at real energies. The method is illustrated by application to the case of atomic hydrogen.