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Ab initio study of high-lying doubly excited states of helium in static electric fields: Complex-scaling generalized pseudospectral method in hyperspherical coordinates

机译:从头开始研究氦在静电场中的双高激发态:超球面坐标中的复杂尺度广义伪谱方法

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摘要

We present a complex-scaling(CS) generalized pseudospectral(GPS) method in hyperspherical coordinates(HSC) for ab initio and accurate treatment of the resonance energies and autoionization widths of two-electron atomic systems in the presence of a strong dc electric field. The GPS method allows nonuniform and optimal spatial discretization of the two-electron Hamiltonian in HSC with the use of only a modest number of grid points. The procedure is applied for the first precision calculation of the energies and autoionization widths for the high-lying 1Se, 1Po, 1De, and 1Fo(n=10-20) doubly excited resonance states of He atoms. In addition, we present a theoretical prediction of the energies and widths of high-lying doubly excited resonance states of 1Po(n= 8-15) in external dc electric field strengths of 3.915-10.44 kV/cm. The calculated dc-field perturbed high-lying resonance energies are in good agreement with the latest experimental data.
机译:我们提出了一种在超球面坐标系(HSC)中从头开始的复杂标度(CS)广义伪谱(GPS)方法,并在存在强直流电场的情况下精确处理了两个电子原子系统的共振能和自电离宽度。 GPS方法仅使用少量网格点就可以实现HSC中两电子哈密顿量的不均匀且最佳的空间离散化。该程序适用于氦原子1Se,1Po,1De和1Fo(n = 10-20)的双激发共振态的能量和自电离宽度的第一精度计算。此外,我们提出了在3.915-10.44 kV / cm的外部直流电场强度下1Po(n = 8-15)的高能双激发共振态的能量和宽度的理论预测。计算得到的直流场扰动的高共振能量与最新的实验数据非常吻合。

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