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束缚电子波包在分子中的定位通过高次谐波光谱学揭示。

Positioning of bound electron wave packets in molecules revealed by high-harmonic spectroscopy.

机构信息

Institut für Theoretische Physik and Centre for Quantum Engineering and Space-Time Research (QUEST), Leibniz Universität Hannover, Appelstrasse 2, D-30167 Hannover, Germany.

出版信息

J Phys Chem A. 2012 Mar 22;116(11):2723-7. doi: 10.1021/jp207838z. Epub 2011 Nov 2.

Abstract

By solution of the time-dependent two-electron Schrödinger equation, we demonstrate that strong-field ionization in combination with electron correlation can localize bound electron wave packets in molecules. The wave packet creation is revealed by the emission spectrum in high-order harmonic generation, which is sensitive to the ionization and recombination phase difference between different ionization channels. For hydrogen molecules at stretched internuclear distance, we find that the ionization phase difference between the gerade and ungerade channels is in the range from π and 1.5π, indicating that the bound wave packet either is initially on the same side as the outgoing electron or is delocalized.

摘要

通过求解含时双电子薛定谔方程,我们证明强场电离与电子相关作用相结合,可以使分子中的束缚电子波包局域化。波包的产生可以通过高次谐波产生中的发射光谱来揭示,这对不同电离通道之间的电离和复合相位差很敏感。对于拉长核间距的氢分子,我们发现奇偶通道之间的电离相位差在π和 1.5π 之间,这表明束缚波包要么与出射电子在同一侧,要么是离域的。

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