指示
价(化学)
从头算
渐近线
原子物理学
化学
离子
从头算量子化学方法
哈密顿量(控制论)
物理
量子力学
分子
几何学
数学
数学优化
作者
Jong Keun Park,Hosung Sun
摘要
The ab initio second order effective valence shell Hamiltonian which is based on quasidegenerate many-body perturbation theory has been applied to the SiH2+ dication. From the characteristic properties of Hv, all the valence states are determined with a same accuracy. The four low lying quasibound states (X 2Σ+, A 2Π, a 4Π, C 2Σ+) are found for the dication. It is verified that the existence of some quasibound states is due to the interaction of an attractive state from ion-neutral pair asymptote with a same symmetry repulsive state from ion–ion pair asymptote. Since the experimental data are scarce, this work provides all theoretical spectroscopic properties of these quasibound states. Also the repulsive valence states are examined.
科研通智能强力驱动
Strongly Powered by AbleSci AI