Charge-resonance excitations in symmetric molecules – Comparison of linear response DFT with CC3 for the excited states of a model dimer
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference39 articles.
1. Density‐functional thermochemistry. III. The role of exact exchange
2. Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold
3. Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
4. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
5. On the determination of excitation energies using density functional theory
Cited by 12 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. Davydov-type excitonic effects on the absorption spectra of parallel-stacked and herringbone aggregates of pentacene: Time-dependent density-functional theory and time-dependent density-functional tight binding;The Journal of Chemical Physics;2018-10-07
2. The involvement of triplet receiver states in the ultrafast excited state processes of small esters;Physical Chemistry Chemical Physics;2016
3. Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory;The Journal of Chemical Physics;2015-04-14
4. Describing long-range charge-separation processes with subsystem density-functional theory;The Journal of Chemical Physics;2014-04-28
5. Spectroscopic behavior of loratadine and desloratadine in different aqueous media conditions studied by means of TD-DFT calculations;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2013-11
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