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Molecular electronic decoherence following attosecond photoionisation
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.6 ) Pub Date : 2020-06-29 , DOI: 10.1088/1361-6455/ab9658
Caroline Arnold 1, 2, 3 , Cline Larivire-Loiselle 1, 4 , Khadijeh Khalili 5 , Ludger Inhester 1, 3 , Ralph Welsch 1, 3 , Robin Santra 1, 2, 3
Affiliation  

Attosecond pulses can be used to generate coherent superpositions of cationic electronic states in molecules through photoionisation. These can drive coherent electronic dynamics, which may decay within a few femtoseconds due to nuclear motion. In this work, we study the impact of the photoelectron on decoherence in the valence electron system of molecules following attosecond photoionisation. To this end, we include the photoelectron as a classical point charge in a quantum–classical simulation of light-induced ultrafast molecular dynamics and consider ionisation by sub-femtosecond pulses with distinct qualities. By disentangling the contributions of photoelectron and nuclei to the overall electronic decoherence, we find that the photoelectron causes partial decoherence within the first 50 attoseconds. This timescale is noticed to be independent of the ionising pulse. Full electronic decoherence is only seen when the spatial extension of the nuclear wave packet is considered.

中文翻译:

原子秒电离后的分子电子退相干

阿秒脉冲可用于通过光电离产生分子中阳离子电子态的相干叠加。这些可以驱动相干的电子动力学,由于核运动,它可能在几飞秒内衰减。在这项工作中,我们研究了光电子对阿秒光电离后分子价电子系统中退相干的影响。为此,我们将光电子作为经典点电荷包含在光诱导的超快分子动力学的量子经典模拟中,并考虑通过具有不同性质的亚飞秒脉冲进行电离。通过解开光电子和原子核对整个电子退相干的贡献,我们发现光电子在前50个阿秒内引起部分退相干。注意到该时间标度与电离脉冲无关。仅当考虑了核波包的空间扩展时,才能看到完全电子退相干。
更新日期:2020-06-30
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