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On calculations of metastable and Rydberg states of diatomic beryllium molecule and antiprotonic helium atom

机译:双原子铍分子和反质子氦原子的亚稳态和里德堡态的计算

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The computational scheme and calculation results of bound, metastable and Rydberg states of atomic and molecular systems important for laser spectroscopy are presented. The solution to the problem is performed using the authors' software package (see program libraries oi the Computer Physics Communications journal and of the Joint Institute for Nuclear Research) that implement the high-accuracy finite element method. The FORTRAN procedure of matching tabulated potential functions with van der Waals asymptotic potential using interpolation Hermite polynomials which provides continuity of both the function itself and its derivative is presented. The efficiency of the proposed approach is demonstrated by calculated for the first time sharp metastable states with complex eigenenergies in a diatomic beryllium molecule and weakly bound Rydberg states of antiprotonic helium atom.
机译:给出了原子和分子系统对激光光谱具有重要意义的结合态,亚稳态态和里德堡态的计算方案和计算结果。解决问题的方法是使用实​​现高精度有限元方法的软件包(请参见《计算机物理通讯》杂志的程序库和“联合核研究所”的程序库)进行。提出了使用插值Hermite多项式将列表势函数与范德华渐近势进行匹配的FORTRAN过程,该插值提供了函数本身及其导数的连续性。通过首次计算双原子铍分子中具有复杂本能的尖锐亚稳态和反质子氦原子的弱束缚里德堡态,证明了该方法的有效性。

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