用Siegert通道赝态描述分子碎裂通道间的竞争
Competition among molecular fragmentation channels described with Siegert channel pseudostates
摘要：
为了描述多重相互作用碎裂连续体，我们发展了一种方法，其中振动通道函数服从出射波Siegert边界条件。本文演示了实用的Siegert方法，它使用通道能量本征值，具有负虚部。每个这样的通道中的电子散射能量向上旋转，使其具有相等且相反的虚部。这允许振动连续体的自然包含，而不需要它们在散射矩阵中作为显式通道出现。计算说明了这一理论的应用，光电离，光解离，解离复合。
英文摘要：
To describe multiple interacting fragmentation continua, we develop a method in which the vibrational channel functions obey outgoing wave Siegert boundary conditions. This paper demonstrates the utility of the Siegert approach, which uses channel energy eigenvalues that possess a negative imaginary part. The electron scattering energy in each such channel is rotated upward, giving it an equal and opposite imaginary part. This permits a natural inclusion of vibrational continua without requiring them to appear as explicit channels in the scattering matrix. Calculations illustrate the application of this theory to photoionization, photodissociation, and dissociative recombination.
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