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量子电动力学在电子结构与动力学方面的新进展。

New aspects of quantum electrodynamics on electronic structure and dynamics.

作者信息

Tachibana Akitomo

机构信息

Department of Micro Engineering, Kyoto University, Kyoto daigaku-Katsura, Nishikyo-ku, Kyoto 615-8540, Japan.

出版信息

J Comput Chem. 2019 Jan 15;40(2):316-327. doi: 10.1002/jcc.25600. Epub 2018 Oct 9.

DOI:10.1002/jcc.25600
PMID:30299560
Abstract

Application of Alpha-oscillator theory to quantum electrodynamics (QED) solves the mystery (Feynman) of the double-slit phenomenon involved in the foundation of quantum mechanics (QM). Even if with the same initial condition given, different spots on the screen can be predicted deterministically with no introduction of hidden variables. The interference pattern is similar to, but cannot be reproduced quantitatively by, that of the QM wave function, contrary to many-years-anticipation: a new prediction, awaiting experimental test over and above the Bohr-Einstein gedanken experiment. The general proof has already been published in Ref. [3a] and the concrete numerical algorithm of the extended normal mode technique for concrete trajectory of one electron in Ref. [3b]. In this article, (1) the new "interpretation" of the QED wave function is given in section "Interpretation of Wave Function in QED": the QED wave function used in the extended normal mode technique gives probability density distribution function of the initial values of trajectories. Moreover, (2) for the sake of demonstration of this new interpretation, the time-independent stationary state QM wave function is substituted to the QED wave function in section "Internal Self-Stress of Energetic Particles": the QED wave function is realized by internal self-stress revealed as energy density at the initial conditions. The renewed energy density is applied to study a unified scheme for generalized chemical reactivity. This is a new kind of chemical force acting in between electrons not in between nuclei. This paves a way for more advanced time-dependent simulation of electronic structure and dynamics in chemical reaction dynamics by tracing trajectories of many electrons. © 2018 Wiley Periodicals, Inc.

摘要

将阿尔法振荡器理论应用于量子电动力学(QED)解决了量子力学(QM)基础中双缝现象的谜团(费曼)。即使给定相同的初始条件,也可以在不引入隐藏变量的情况下确定性地预测屏幕上的不同点。干涉图样与量子力学波函数的干涉图样相似,但无法通过其进行定量再现,这与多年来的预期相反:这是一个新的预测,有待在玻尔 - 爱因斯坦思想实验之外进行实验验证。一般证明已发表在参考文献[3a]中,而关于一个电子具体轨迹的扩展简正模式技术的具体数值算法发表在参考文献[3b]中。在本文中,(1)在“QED中波函数的解释”部分给出了QED波函数的新“解释”:扩展简正模式技术中使用的QED波函数给出了轨迹初始值的概率密度分布函数。此外,(2)为了证明这种新解释,在“高能粒子的内部自应力”部分将与时间无关的定态量子力学波函数代入QED波函数:QED波函数通过在初始条件下表现为能量密度的内部自应力来实现。更新后的能量密度被应用于研究广义化学反应性的统一方案。这是一种作用于电子之间而非原子核之间的新型化学力。这为通过追踪多个电子的轨迹对化学反应动力学中的电子结构和动力学进行更先进的含时模拟铺平了道路。© 2018威利期刊公司

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