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首页> 外文期刊>International Journal of Quantum Chemistry >Calculations of D-wave bound states and resonance states of the screened helium atom using correlated exponential wave functions
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Calculations of D-wave bound states and resonance states of the screened helium atom using correlated exponential wave functions

机译:用相关指数波函数计算被屏蔽氦原子的D波束缚态和共振态

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We have investigated the effects of screened Coulomb (Yukawa) potentials on the bound ~(1,3)D states and the doubly excited ~(1,3)De resonance states of helium atom using highly correlated exponential basis functions. The Density of resonance states are calculated using stabilization method. Highly correlated exponential basis functions are used to consider the correlation effect between the charged particles. A total of 18 resonances (nine each for ~1D~e and ~3D~e states) below the n = 2 He~+ threshold has been calculated. For each spin states, this includes four members in the 2pnp series, three members in the 2snd series, and two members in 2pnf series. The resonance energies and widths for various screening parameters ranging from infinity to a small value for these ~(1,3)D~e resonance states are reported along with the bound-excited 1s3d ~(1,3)D state energies. Overall behavior of the spectral profile of 1s3d ~1D state of helium atom due to electron-electron and electron-nucleus screening are also presented. Accurate resonance energies and widths are also reported for He in vacuum.
机译:我们使用高度相关的指数基函数,研究了屏蔽的库仑(汤川)电势对氦原子的束缚〜(1,3)D态和双激发〜(1,3)De共振态的影响。使用稳定化方法计算共振态的密度。高度相关的指数基函数用于考虑带电粒子之间的相关效应。已计算出低于n = 2 He〜+阈值的总共18个共振(每个〜1D〜e和〜3D〜e状态为9个)。对于每个自旋状态,这包括2pnp系列中的四个成员,2snd系列中的三个成员和2pnf系列中的两个成员。报告了这些〜(1,3)D〜e共振态的无穷大到较小值的各种筛选参数的共振能量和宽度,以及结合激发的1s3d〜(1,3)D态能量。还介绍了由于电子和电子核的筛选,氦原子1s3d〜1D状态的光谱分布的整体行为。还报道了氦在真空中的准确共振能量和宽度。

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