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Adiabatic Representation for Atomic Dimers and Trimers in Collinear Configuration

机译:用于共线构型原子二聚体和三聚体的绝热形式

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We considered collinear models for a trimer of identical atoms with molecular pair interactions and for an atomic dimer scattered by an atom or tunneling through potential barriers. The models are formulated as 2D boundary-value problems in the Jacobi and polar coordinates. In the adiabatic representation the problems are reduced to a system of second-order ordinary differential equations (SODEs) with respect to the radial variable using the expansion of the desired solutions in the set of angular basis functions that depend on the radial variable as a parameter. The efficiency of the elaborated method, algorithms and programs is demonstrated by benchmark calculations of the asymptotic expansions of basis functions, effective potentials, fundamental solutions of the SODEs, and corresponding asymptotic scattering states, as well as the resonance scattering, metastable and bound states.
机译:我们认为具有分子对相互作用的相同原子的三聚体的共线模型,并且通过潜在的屏障散射由原子或隧穿的原子二聚体。 该模型在Jacobi和极坐标中配制为2D边值问题。 在绝热表示中,使用所需解决方案的扩展,在径向变量作为参数的角度基函数集中,将问题减少到径向变量的二阶常微分方程(S节目)的系统。 。 通过基准函数,有效电位,节点的基本解决方案的基准计算和相应的渐近散射状态,以及相应的渐近散射状态,以及相应的渐近散射状态,以及相应的渐近散射状态,以及相应的渐近散射,亚泊散射,亚稳态和束缚状态的效率,证明了效率。

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