Ultrafast laser induced charge migration with de- and re-coherences in polyatomic molecules: A general method with application to pyrene-Reference-Cited by-同舟云学术

Ultrafast laser induced charge migration with de- and re-coherences in polyatomic molecules: A general method with application to pyrene

Published:2023-03-24 Issue:12 Volume:158 Page:
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:

Author:

Ma HuiMin¹^ORCID,Manz Jörn¹²^ORCID,Wang HuiHui¹^ORCID,Yan YiJing³^ORCID,Yang Yonggang¹⁴^ORCID

Affiliation:

1. State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University 1 , Taiyuan 030006, China

2. Institut für Chemie und Biochemie, Freie Universität 2 Berlin, 14195 Berlin, Germany

3. Department of Chemical Physics, University of Science and Technology of China 3 , Hefei, Anhui 230026, China

4. Collaborative Innovation Center of Extreme Optics, Shanxi University 4 , Taiyuan 030006, China

Abstract

We develop a general method to study ultrafast laser induced charge migration in molecules, which includes both electronic and nuclear dynamics. The method can be applied to relatively large systems. A detailed analysis of charge migration in pyrene is performed. Decoherences and recoherences of charge migration in pyrene are found and explained in terms of nuclear motions.

Funder

National Key Research and Development Program of China

Program for Changjiang Scholars and Innovative Research Team in University

National Natural Science Foundation of China

Overseas Expertise Introduction Project for Discipline Innovation

Fund for Shanxi 1331 Project Key Subjects Construction

the Hundred Talent Program of Shanxi Province

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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