Non-adiabatic molecular dynamics investigation of the size dependence of the electronic relaxation in polyacenes
Author:
Affiliation:
1. Laboratoire Collisions Agrégats et Réactivité (LCAR)
2. IRSAMC UMR5589
3. Université de Toulouse (UPS) and CNRS
4. F-31062 Toulouse
5. France
6. Laboratoire de Chimie et Physique Quantiques (LCPQ)
7. IRSAMC UMR5626
Abstract
Electronic relaxation from the brightest excited state has been investigated for neutral polyacenes ranging in size from naphthalene to heptacene.
Funder
H2020 Marie Skłodowska-Curie Actions
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00603F
Reference77 articles.
1. M. Klessinger and J.Michl , Excited States and Photo-Chemistry of Organic Molecules , Wiley , 1995
2. The multi-configurational time-dependent Hartree approach
3. The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
4. Towards converging non-adiabatic direct dynamics calculations using frozen-width variational Gaussian product basis functions
5. Bemerkung �ber die angen�herte G�ltigkeit der klassischen Mechanik innerhalb der Quantenmechanik
Cited by 21 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB;Journal of Chemical Theory and Computation;2024-07-25
2. Implementation of Nonadiabatic Molecular Dynamics for Intersystem Crossing Based on a Time-Dependent Density-Functional Tight-Binding Method;The Journal of Physical Chemistry A;2024-07-11
3. Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state;The Journal of Chemical Physics;2024-07-08
4. Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method;Journal of Chemical Theory and Computation;2024-04-18
5. Addressing electronic and dynamical evolution of molecules and molecular clusters: DFTB simulations of energy relaxation in polycyclic aromatic hydrocarbons;Physical Chemistry Chemical Physics;2024
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3