Time-resolved photoelectron signals from bifurcating electron wavepackets propagated across conical intersection in path-branching dynamics

被引：0

作者：

Arasaki, Yasuki ^{[1
]}

Takatsuka, Kazuo ^{[1
]}

机构：

[1] Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan

来源：

CHEMICAL PHYSICS | 2017年 / 493卷

关键词：

ULTRAFAST INTERNAL-CONVERSION; WAVE-PACKET DYNAMICS; MOLECULAR-DYNAMICS; NONADIABATIC DYNAMICS; NUCLEAR MOTIONS; SPECTROSCOPY; ENERGY; DECAY; IONIZATION;

D O I：

10.1016/j.chemphys.2017.06.008

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A computational scheme of energy- and geometry-dependent photoelectron signals from the dynamics near a conical intersection based on a simplified path-branching representation of nonadiabatic electron wavepacket dynamics is proposed. Taking the NO2 X/A conical intersection as an example, the results of the present scheme compared to those from previous study based on the method of full quantum vibrational wavepacket shows qualitative agreement suggesting promising application to computation in larger systems intractable to full quantum exact methods. (C) 2017 Elsevier B.V. All rights reserved.

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收藏

页码：42 / 48

页数：7

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