Molecular photoionization cross sections and asymmetry parameters by L2 basis functions calculations: H2O
Molecular photoionization cross sections and asymmetry parameters by L2 basis functions calculations: H2O
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通过 L2 基函数计算的分子光电离截面和不对称参数：H2O
DOI：
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发表时间：
1986
期刊：
影响因子：
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通讯作者：
R. Moccia
中科院分区：
文献类型：
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作者：
I. Cacelli;Vincenzo Carravetta;R. Moccia
采用一组平方可积函数基组的K矩阵技术计算分子的微分光电离截面。在离子场的静态交换近似中，连续轨道是变分确定的。在独立通道近似下，计算了光子能量在14-50 eV范围内，水分子三个主要价态电离过程的积分光电离截面和非对称参数β，并与已有的实验数据进行了比较。
A K‐matrix technique using a basis set of square‐integrable functions is applied to the calculation of differential photoionization cross sections in molecules. Continuum orbitals are variationally determined in the static‐exchange approximation of the ion field. Integrated photoionization cross sections and asymmetry parameters β of the three main valence ionization processes in H2O are calculated, in the independent channel approximation, for the photon energy in the range of 14–50 eV and compared with the available experimental data.