Structure and spectra of a confined HeH molecule
Structure and spectra of a confined HeH molecule
复制标题
受限 HeH 分子的结构和光谱
DOI：
10.1088/0953-4075/39/11/006
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
G. Diercksen
中科院分区：
文献类型：
--
作者：
J. Lo;M. Klobukowski;D. Bielinska;E. W. S. Schreiner;G. Diercksen
在变分全组态相互作用方法的水平上，分析了空间限制对里德堡HEH分子结构和光谱的影响。假设禁闭势具有柱对称性，势的对称轴与分子键重叠。在垂直于轴的方向上，假定势对电子坐标的二次依赖。详细研究了限制势对势能曲线形状(特别是对键长)、电子光谱和限制引起的电离的影响。
The influence of spatial confinement on the structure and spectra of the Rydberg HeH molecule is analysed at the level of the variational full configuration interaction approach. The confining potential is assumed to have cylindrical symmetry, with the symmetry axis of the potential overlapping with the molecular bond. In the direction perpendicular to the axis quadratic dependence of the potential on the electron coordinates is assumed. The influence of the confining potential on the form of the potential energy curves (in particular on the bond lengths), on the electronic spectra and on the ionization due to the confinement is studied in detail.