单重态和三重态的朗多-佩卡双极化子

V. Mukhomorov
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引用次数: 1

摘要

本文综述了变分方法对双极化子稳定性的研究。对于双极化子构造,建立了变分原理与优化电子波函数的维里定理之间的关系。我们提出了大量的定性和定量论证,表明朗道-佩卡尔双极化子是一个轴对称构造。本文着重分析了库仑电子-电子相关对大双极化子稳定性的影响。详细分析了确定最优波函数的准则。这是确定的,在逐步增加的灵活性的电子波函数由于电子的相关性并不能稳定一个单中心双极化子。我们证明在考虑电子-电子相关后,单线态双极化子保持空间轴对称。同时,朗多-佩卡双极化子的电子激发三重态具有球对称性。Kasirina和Lakhno基于单中心双极化子模型的结果是不正确的。证明了变分方法的正确应用和电子-电子相关的正确解释只会增加双极化子的结合能,而不会改变Hartree-Fock近似的对称性。指出单中心双极化子模型在方法上的错误,以及由其计算引起的不正确的物理结果。轴对称朗多-佩卡双极化子可以正确地解释实验探测到的光谱数据。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Landau-Pekar Bipolaron in Singlet and Triplet States
We give an overview of studies a bipolaron stability by variational method. For bipolaron formations, a relation is established between the variational principle and the virial theorem optimizing the electronic wave functions. We present a large number of qualitative and quantitative arguments, which indicate that the Landau-Pekar bipolaron is an axially-symmetrical formation. Much attention is paid to the analysis of the influence of the Coulomb electron-electron correlations on the stability of a large bipolaron. In detail we analyzed the criteria for determining the optimal wave functions. It is established that a step-by-step increase in the flexibility of the electronic wave function due to the electron correlations does not stabilize a one-center bipolaron. We show after into account of electron-electron correlations a singlet bipolaron retains spatial axially-symmetrical. At the same time, the electron-excited triplet states of Landau-Pekar bipolaron have spherical symmetry. The results of Kasirina and Lakhno are based on the one-center bipolaron model are incorrect. Presented evidence that the correct application of the variational method and correct account of electron-electron correlations only increase the binding energy of the bipolaron but symmetry of Hartree-Fock approximation can not change. We adduce proofs which point to methodological errors of one-center bipolaron model as well as arising from their calculations incorrect physical consequences. As illustrated in this review the axially symmetric Landau-Pekar bipolaron can correctly interpret the experimentally detected spectroscopic data.
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