Model protein excited states: MRCI calculations with large active spaces vs CC2 method-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Model protein excited states: MRCI calculations with large active spaces vs CC2 method

Published:2021-06-07 Issue:21 Volume:154 Page:214105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Brenner Valérie¹^ORCID,Véry Thibaut¹,Schmidt Michael W.²,Gordon Mark S.²^ORCID,Hoyau Sophie³^ORCID,Ben Amor Nadia³⁴^ORCID

Affiliation:

1. LIDYL, CEA, CNRS, Université Paris-Saclay, 91191 Gif-sur-Yvette, France

2. Department of Chemistry, Iowa State University, Ames, Iowa 5001, USA

3. Université de Toulouse, UPS, LCPQ (Laboratoire de Chimie et Physique Quantiques), IRSAMC, 118, rte de Narbonne, F-31062 Toulouse Cedex, France

4. CNRS, UPS, LCPQ (Laboratoire de Chimie et Physique Quantiques), IRSAMC, 118, rte de Narbonne, F-31062 Toulouse Cedex, France

Funder

Agence Nationale de la Recherche

TGCC/CINES/IDRIS

Grand Équipement National De Calcul Intensif

CCRT High Performance Computing

CALMIP

U.S. National Science Foundation Software Infrastructure

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0048146

Reference74 articles.

1. Progress and Challenges in the Calculation of Electronic Excited States

2. Progress in Time-Dependent Density-Functional Theory

3. Excited state coupled cluster methods

4. Multiconfiguration second-order perturbation theory approach to strong electron correlation in chemistry and photochemistry

5. Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods

Cited by 2 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. Lighting up aggregate emission of perylene diimide by leveraging polymerization-mediated through-space charge transfer and π-π stacking;Science China Chemistry;2024-08-16

2. Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols;International Journal of Molecular Sciences;2022-01-06

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