The Earth Simulator Center, Japan Agency for Marine-Earth Science and Technology, 3173-25 Showa-machi, Yokohama 236-0001, Japan.
J Chem Phys. 2011 Oct 7;135(13):134312. doi: 10.1063/1.3645183.
We study theoretically the ground and excited bound states of the bosonic rare gas van der Waals trimer Ne(3). A slow variable discretization approach is adopted to solve the nuclear Schrödinger equation, in which the Schrödinger equation in hyperangular coordinates is solved using basis splines at a series of fixed finite-element methods discrete variable representation hyper-radii. We consider not only zero total nuclear orbital angular momentum, J = 0, states but also J > 0 states. By using the best empirical neon dimer interaction potentials, all the bound state energy levels of Ne(3) will be calculated for total angular momenta up to J = 6, as well as their average root-mean-square radii. We also analyze the wave functions in hyperspherical coordinates for several selected bound states.
我们从理论上研究了玻色稀有气体范德瓦尔斯三聚体 Ne(3) 的基态和激发束缚态。采用慢变量离散化方法求解核薛定谔方程，其中在一系列固定有限元离散变量表示超半径处使用基样条求解超角坐标中的薛定谔方程。我们不仅考虑了总核轨道角动量为 J = 0 的状态，还考虑了 J > 0 的状态。利用最佳的经验氖二聚体相互作用势能，我们将计算总角动量高达 J = 6 的 Ne(3)的所有束缚态能级及其平均均方根半径。我们还分析了几个选定束缚态的超球坐标中的波函数。
