首页> 外文期刊>International Journal of Quantum Chemistry >Multi-channel coupling effects for electronic excitations leading to the b(3)Sigma(+)(u), a(3)Sigma(+)(g), and c(3)Pi(u) states of H-2
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Multi-channel coupling effects for electronic excitations leading to the b(3)Sigma(+)(u), a(3)Sigma(+)(g), and c(3)Pi(u) states of H-2

机译:电子激发的多通道耦合效应导致H-2的b(3)Sigma(+)(u),a(3)Sigma(+)(g)和c(3)Pi(u)状态

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In this work we use the unitarized distorted wave method to study the effect of multi-channel coupling on the calculated electronic excitation cross sections in H-2. Specifically, such an effect for electronic excitations leading to the excited states b(3)E(u)(+), a(3)Sigma(+)(g), and c(3)Pi(u) for incident energies varying from 15 to 60 eV is studied. Our results have shown that converged cross sections can be obtained with the inclusion of only triplet intermediate states, except for energies near the excitation thresholds, where the inclusion of singlet intermediate states is important. Also, convergence improves with increasing energies for all excitations considered. Comparison of our calculated cross sections with available experimental and other theoretical results is encouraging. (C) 2006 Wiley Periodicals, Inc.
机译:在这项工作中,我们使用统一的失真波方法来研究多通道耦合对H-2中计算的电子激发截面的影响。具体而言,这种电子激发效应导致入射能量变化时激发态b(3)E(u)(+),a(3)Sigma(+)(g)和c(3)Pi(u)从15到60 eV进行了研究。我们的结果表明,仅包含三重态中间态即可获得会聚截面,除了激发阈值附近的能量外,其中包含单重态中间态非常重要。同样,对于所有考虑的激励,会聚随着能量的增加而改善。我们将计算出的横截面与可用的实验和其他理论结果进行比较是令人鼓舞的。 (C)2006年Wiley Periodicals,Inc.

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