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arXiv 0905.4403physics.atom-ph
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原子系统中的虚时波包动力学

Fictitious-time wave-packet dynamics in atomic systems

Tomaž Fabčič, Jörg Main, Günter Wunner

摘要:

高斯波包(GWP)是描述非奇异光滑势系统中任意波函数随时间演化的理想基函数。在原子系统中,由于库仑势的奇异行为,它们的情况就不那么严重了。我们提出了一种含时变分方法,使使用GWP可能在这些系统中的量子态的传播的描述。我们这样做的库仑势的正则化,并通过引入一个虚构的时间坐标,其中的初始状态的演化可以精确地计算和分析纯库仑势。因此,在微扰原子系统中,变分近似只产生于偏离库仑势的那部分势。该方法适用于在外部磁场和电场中的氢原子。它可以适用于具有明确对称性的系统,因此可以广泛应用。

英文摘要:

Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior of the Coulomb potential. We present a time-dependent variational method that makes the use of GWPs possible in the description of propagation of quantum states also in these systems. We do so by a regularization of the Coulomb potential, and by introduction of a fictitious time coordinate in which the evolution of an initial state can be calculated exactly and analytically for a pure Coulomb potential. Therefore in perturbed atomic systems variational approximations only arise from those parts of the potentials which deviate from the Coulomb potential. The method is applied to the hydrogen atom in external magnetic and electric fields. It can be adapted to systems with definite symmetries, and thus allows for a wide range of applications.

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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