Han Hui-Li, Li Yong, Zhang Xian-Zhou, Shi Ting-Yun
State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, People's Republic of China.
J Chem Phys. 2008 Jun 28;128(24):244314. doi: 10.1063/1.2944271.
We calculate the binding energy and geometry of the weakly bound e(+)Li and e(+)Na systems within the framework of hyperspherical coordinates. The Schrodinger equation in hyperangular coordinates is solved at a series of fixed hyper-radii using B-splines and the resulting coupled hyper-radial equation is solved using the slow variable discretization method developed by Tolstikhin et al. [J. Phys. B 29, L389 (1996)]. Great efforts are made in optimizing the distribution of B-splines to overcome the slow convergence of the binding energy and geometrical quantities. This approach allows us to obtain the results with improved convergence that are in good agreement with the best values reported to date. In addition, an analysis of the structure of the two systems is also made and the e(+)Na system is seen to exhibit quantum halo features.
我们在超球坐标框架内计算了弱束缚的e(+)Li和e(+)Na体系的结合能和几何结构。利用B样条在一系列固定超半径下求解超角坐标中的薛定谔方程，并使用托尔斯蒂欣等人[《物理学报B》29, L389 (1996)]开发的慢变量离散化方法求解由此产生的耦合超径向方程。在优化B样条的分布方面付出了巨大努力，以克服结合能和几何量收敛缓慢的问题。这种方法使我们能够获得收敛性得到改善的结果，这些结果与迄今为止报道的最佳值吻合良好。此外，还对这两个体系的结构进行了分析，发现e(+)Na体系呈现出量子晕特征。
