用多态紧密耦合散射方法预解4HeH的a2sigma +, c2sigma +和d2sigma +能级

A. Vegiri, C. Nicolaides
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引用次数: 3

摘要

我们实现了一种多态紧密耦合散射方法来计算4HeH准分子的2Sigma+态的旋转振动能级的位置和部分宽度和总宽度。结果与现有实验数据吻合较好,并进行了一些预测。本文将多态方法(MSA)的结果与两态方法(TSA)的结果进行了比较。只有最低边界激发态a2sigma +才有一致性,这表明A- x 2Sigma+相互作用占主导地位。对于较高的C和d2sigma +态,MSA产生显著不同的结果。这同样适用于其他准分子光谱中的类似情况。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Predissociation of the A 2Sigma+, C 2Sigma+ and D 2Sigma+ levels of 4HeH from a multistate close-coupling scattering approach
We have implemented a multistate close-coupling scattering approach to the calculation of the positions and partial and total widths of the rovibrational levels of the 2Sigma+ states of the 4HeH excimer molecule. Good agreement with available experimental data is obtained while a number of predictions are made. The results of the present multistate approach (MSA) are compared to those of the two-state approach (TSA), previously applied by a number of methods. Only for the lowest bound excited state, the A 2Sigma+, is there agreement, signifying the dominance of the A-X 2Sigma+ interaction. For the higher lying C and D 2Sigma+ states, the MSA produces significantly different results. The same should apply to similar situations in other excimer spectra.
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