一系列退相干事件对质子转移构成异构相关的概率密度流的时间依赖性统计测量的影响

IF 3 3区 化学 Q3 CHEMISTRY, PHYSICAL
Karl Sohlberg
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引用次数: 0

摘要

本文以质子转移构成异构为例,研究了一系列离散退相干事件对概率密度流随时间变化度量的影响。研究了采样频率和退相干系综的分数。研究发现,在概率密度时间发展的傅里叶变换中,主要峰的频率位置通过退相干基本不变。统计置信度给出的传递时间收敛于无退相干情况下的结果,且受退相干影响的系综比例减小。对于足够小的时间步长(高采样频率),观察到量子芝诺效应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Influence of a sequence of decoherence events on statistical measures of the time dependence of the flow of probability density relevant to constitutional isomerism by proton transfer

Influence of a sequence of decoherence events on statistical measures of the time dependence of the flow of probability density relevant to constitutional isomerism by proton transfer
The influence of a series of discrete decoherence events on metrics of the time-dependence of the flow of probability density is studied using three examples of constitutional isomerism by proton transfer. Both sampling frequency and fraction of the ensemble subjected to decoherence are explored. It is found that the frequency positions of the dominant peaks in the Fourier transform of time development of probability density are essentially unchanged by decoherence. Transfer times given by statistical confidences are shown to converge to the result obtained in the absence of decoherence with decreasing fraction of the ensemble subjected to decoherence. For sufficiently small time-steps, (high sampling frequency) the quantum Zeno effect is observed.
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来源期刊
CiteScore
4.20
自引率
10.70%
发文量
331
审稿时长
31 days
期刊介绍: Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter.
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