Signature of the geometric phase in the wave packet dynamics on hypersurfaces

被引：11

作者：

Duan, Hong-Guang ^{[1
,2
,3
]}

Qi, Da-Long ^{[1
,4
]}

Sun, Zhen-Rong ^{[4
]}

Miller, R. J. Dwayne ^{[1
,3
,5
,6
]}

Thorwart, Michael ^{[2
,3
]}

机构：

[1] Max Planck Inst Struct & Dynam Matter, Luruper Chaussee 149, D-22761 Hamburg, Germany

[2] Univ Hamburg, Inst Theoret Phys 1, Jungiusstr 9, D-20355 Hamburg, Germany

[3] Hamburg Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany

[4] East China Normal Univ, State Key Lab Precis Spect, 3663 North Zhongshan Rd, Shanghai 200062, Peoples R China

[5] Univ Toronto, Dept Chem, 80 St George St, Toronto, ON M5S 3H6, Canada

[6] Univ Toronto, Dept Phys, 80 St George St, Toronto, ON M5S 3H6, Canada

来源：

CHEMICAL PHYSICS | 2018年 / 515卷

关键词：

CONICAL INTERSECTION DYNAMICS; VIBRATIONAL COHERENCE; DISSIPATIVE DYNAMICS; EVOLUTION; SPECTROSCOPY; MODEL;

D O I：

10.1016/j.chemphys.2018.09.016

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：

We study the nonadiabatic dynamics of an electronic wave packet on two coupled potential energy surfaces. We focus on the difference between two configurations, the presence of a conical intersection (CI) and an avoided crossing (AC). We project the time-dependent dynamics onto the tuning and the coupling modes. For weak intersurface coupling, no significant difference appears. However, significant differences in the deactivation of the wave packet arise for increasing intersurface coupling. Most striking is a strong destructive interference of the two pathways of the wave packet which differ by a factor of pi when moving around the CI. This yields to a vanishing of the wave packet in the CI configuration, which does not exist with an avoided crossing. By this, it is straightforward to identify the geometric phase in the wave packet dynamics and to use it to distinguish a CI from an AC configuration.

引用

页码：21 / 27

页数：7

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