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arXiv 0704.3549quant-ph
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共线氦原子的半经典初值计算

Semiclassical initial value calculations of collinear helium atom

Celal Harabati, Kenneth G. Kay

摘要:

采用Herman-Kluk初值处理方法,计算了共线氦原子束缚态和共振态的能量本征值.讨论了$eZe$组态(其中经典运动是完全混沌的)和$Zee$组态(其中经典动力学是近可积的)。经典的运动是正规化,以消除奇异性时发生的电子碰撞的核。与用复转动方法计算的束缚态和共振态的量子能量吻合得很好。

英文摘要:

Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is fully chaotic) and the $Zee$ configuration (where the classical dynamics is nearly integrable) are treated. The classical motion is regularized to remove singularities that occur when the electrons collide with the nucleus. Very good agreement is obtained with quantum energies for bound and resonance states calculated by the complex rotation method.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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