Gaussian expansion methods under the absorbing boundary condition

Gaussian expansion methods under the absorbing boundary condition
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吸收边界条件下的高斯展开方法

DOI:
10.1093/ptep/ptu135
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发表时间:
2014
影响因子:
3.5
通讯作者:
M.Ito
M.Ito
中科院分区:
物理与天体物理4区
文献类型:
--
作者:
Y. Takenaka;R. Otani;M. Iwasaki;K. Mimura;M.Ito

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分析了各种高斯基对吸收边界条件下变分计算的适用性。研究了三种高斯基:移位高斯基、调质高斯基和振荡高斯基。所有基函数都能成功地描述具有尖锐宽度的共振,但所采用的高斯基的非共振连续态的特征却大不相同。由移位高斯计算得到的能量特征值在复能量平面上呈现规则的序列,而由调质振荡高斯得到的能量分布则偏离规则的分布。研究了各个高斯基在非共振连续介质中的波函数。移位的高斯函数很好地描述了在宽空间范围内的广泛振荡特征,但其他两个基的波函数集中在相互作用区域周围。移位高斯和振荡高斯的计算大大减少了共振波函数中包含的误差。由吸收势强度的变化得到的共振轨迹,在一个复能量平面上进行。位移和振荡高斯基的共振轨迹在吸波器的最佳强度附近变得平稳,而在回火高斯基的计算中没有明显地观察到这种平稳轨迹。讨论了基函数和吸收边界条件的适当组合。
We have analyzed the applicability of the various Gaussian bases to the variational calculation under the absorbing boundary condition. Three kinds of Gaussian basis are investigated: shifted, tempered, and oscillating Gaussians. All the basis functions are successful in describing a resonance with a sharp width, but the features of the non-resonant continuum states are very different among the employed Gaussian bases. The energy eigenvalues calculated from the shifted Gaussian show the regular sequence in a complex energy plane, while the energy distribution obtained by the tempered and oscillating Gaussian deviates from the regular distribution. The wave functions in the non-resonant continuum are investigated for the individual Gaussian bases. The shifted Gaussian nicely describes the extensively oscillating feature over a wide spatial range, but the wave functions of the other two bases concentrate around the interaction area. The calculation of the shifted Gaussian and oscillating Gaussian largely reduces the errors contained in the resonance wave function. The trajectories of the resonance, obtained by a variation of the strength of the absorbing potential, are pursued in a complex energy plane. The resonance trajectories for the shifted and oscillating Gaussian bases become stationary around the optimal strength of the absorber, while such a stationary trajectory is not clearly observed in the calculation of the tempered Gaussian. An appropriate combination of the basis functions and the absorbing boundary condition is discussed.
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