A model of the Schumann‐Runge continuum of O2
A model of the Schumann‐Runge continuum of O2
复制标题
O2 的舒曼-龙格连续谱模型
DOI：
10.1029/ja091ia09p10193
复制
发表时间：
1986
影响因子：
--
通讯作者：
A. Dalgarno
中科院分区：
文献类型：
--
作者：
A. C. Allison;S. Guberman;A. Dalgarno
本文报告了O2的B <$u−势能曲线的从头计算，以及连接B <$u−和基态电子态的跃迁矩。在127-152 nm波长范围内给出了光解离截面。对势能曲线和跃迁矩进行小的调整，得到与实验截面吻合良好的吸收模型，并再现了在高能边缘观察到的结构特征。在135.6 nm处的肩峰是由于最低的<$u态和跃迁到B <$u−态的辅助最大值。
Ab initio calculations of the B³Σu− potential energy curve of O2 are reported together with the transition moment connecting the B³Σu− and the ground electronic states. Photodissociation cross sections are presented over the wavelength region 127–152 nm. Small adjustments to the potential energy curve and the transition moment lead to a model of the absorption which agrees well with the experimental cross sections and which reproduces the structural features observed on the high-energy edge. The shoulder at 135.6 nm is attributed to the lowest ³Πu state and the auxiliary maxima to transitions into the B³Σu− state.