An R-matrix study of singlet and triplet continuum states of N2
An R-matrix study of singlet and triplet continuum states of N2
复制标题
N2 单线态和三线态连续态的 R 矩阵研究
DOI：
10.1088/0953-4075/47/10/105204
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发表时间：
2014
期刊：
影响因子：
--
通讯作者：
J. Tennyson
中科院分区：
文献类型：
--
作者：
D. A. Little;J. Tennyson
系统地计算了N2+?的前两个激发态共振的位置和宽度。> (A 2Πu？>和B 2Σu+？>)。一个紧密间隔的几何网格被用来给出连续的共振曲线，而不需要曲线拟合。测试了三种方法：拟合特征相和法、时延法和r矩阵特定QB法。发现对最长的三个时滞的拟合可以给出最可靠和完整的谐振参数测定。A和B离子态的低激发能导致复杂的共振特征，许多避免交叉导致共振曲线和相关宽度的明显结构。确定了可能对解离重组很重要的共振曲线。它们的位置通常与Guberman的计算一致，尽管在某些情况下它们的宽度更窄。提供了所有曲线的完整数据。
A systematic calculation of the positions and widths of the resonances converging on the first two excited states of N2+?> (A 2Πu?> and B 2Σu+?>) is presented. A closely-spaced grid of geometries is used to give continuous resonance curves without the need for curve fitting. Three methods, fitting the eigenphase sum, the time-delay method and the R-matrix specific QB method, are tested. Fits to the longest three time-delays are found to give the most reliable and complete determination of the resonance parameters. The low excitation energies of the A and B ion states results in complex resonance features with many avoided crossings leading to pronounced structures in both the resonance curves and the associated widths. The resonance curves likely to be important for dissociative recombination are identified. Their positions generally agree well with the calculations of Guberman, although in some cases their widths are narrower. Full data on all curves is provided.
影响因子：
1.8
作者：
Carr, J. M.;Galiatsatos, P. G.;Varambhia, H. N.
通讯作者：
Varambhia, H. N.