Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding

Published:2016-11-14 Issue:18 Volume:145 Page:184102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Rüger Robert¹²³,Niehaus Thomas⁴,van Lenthe Erik¹,Heine Thomas³,Visscher Lucas²^ORCID

Affiliation:

1. Scientific Computing and Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

3. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig, Germany

4. Univ Lyon, Université Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, F-69622 Villeurbanne, France

Funder

Seventh Framework Programme (FP7)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4966918

Reference62 articles.

1. Time-Dependent Density Functional Response Theory for Molecules

2. Characterization of electronic transitions in complex molecules

3. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

4. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

5. Tight-binding approach to time-dependent density-functional response theory

Cited by 18 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. Effects of Endohedral Gd-Containing Fullerenols with a Different Number of Oxygen Substituents on Bacterial Bioluminescence;International Journal of Molecular Sciences;2024-01-05

2. Addressing electronic and dynamical evolution of molecules and molecular clusters: DFTB simulations of energy relaxation in polycyclic aromatic hydrocarbons;Physical Chemistry Chemical Physics;2024

3. Isolated Dimers Versus Solid‐State Dimers of N‐Heteropolycycles: Matrix‐Isolation Spectroscopy in Concert with Quantum Chemistry;Chemistry – A European Journal;2023-11-08

4. Excitons in organic materials: revisiting old concepts with new insights;Electronic Structure;2023-09-01

5. Analytical excited state gradients for time-dependent density functional theory plus tight binding (TDDFT + TB);The Journal of Chemical Physics;2023-06-08

同舟云学术

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