Distribution of oscillator strengths and correlated electron dynamics in artificial atoms

Distribution of oscillator strengths and correlated electron dynamics in artificial atoms
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人造原子中振荡器强度的分布和相关电子动力学

DOI:
10.1088/1361-6455/ab9c35
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发表时间:
2020
期刊:
Journal of Physics B: Atomic Molecular and Optical Physics
影响因子:
--
通讯作者:
T. Sako
T. Sako
中科院分区:
--
文献类型:
--
作者:
T. Honda;T. Sako

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采用由标准原子轨道和各向异性高斯型函数组成的混合基组,采用全组态相互作用(FCI)波函数,研究了含空穴的准二维盘状人工原子的电子结构.电子的单粒子约束势被建模为各向异性谐振子势和吸引库仑势的总和,后者负责空穴正电荷。利用FCI能量和波函数计算了不同简谐约束强度ω时,从基态到低激发态的振子强度。对于中心有一个空穴的两个电子,即类He系统,结果表明,在激发到质心模式或等离子体激元模式的不同偶极允许跃迁中,振子强度分布的累积增加了限制强度ω。我们还研究了双电子双杂质空穴系统,即类H2系统,由于核间距r的附加自由度,该系统的振子强度随ω的变化趋势要复杂得多。观察到的趋势已合理化的基础上的节点模式的分子轨道和电子密度分布。
The electronic structure of the quasi-two-dimensional disk-like artificial atom involving holes inside has been studied by the full configuration interaction (FCI) wave function employing mixed basis sets consisting of standard atomic orbitals and anisotropic Gaussian-type functions. The one-particle confinement potential for electrons has been modeled by a sum of an anisotropic harmonic-oscillator potential and attractive Coulomb potentials, the latter being responsible for the hole positive charges. The oscillator strengths from the ground state to a number of low-lying excited states have been calculated by the FCI energies and wave functions for different strength of the harmonic confinement ω. The results for two electrons with a hole at the center, namely, the He-like system, have shown accumulation of the oscillator strengths distributed among different dipole-allowed transitions in the excitation into the center-of-mass modes or the plasmon modes for increasing confinement strength ω. The system of two electrons with two impurity holes, namely, the H 2-like system, has been also studied, which has shown a far more complicated trend of the oscillator strengths with respect to ω owing to the additional degree of freedom of the internuclear distance r. The observed trend has been rationalized on the basis of the nodal patterns in the molecular orbitals and in the electron density distributions.
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DOI: 10.1088/0953-8984/15/32/310
发表时间: 2003
期刊: Journal of Physics: Condensed Matter
影响因子: --
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影响因子: --
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DOI: 10.1103/physrevb.43.5151
发表时间: 1991
期刊: Physical review. B, Condensed matter
影响因子: --
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