A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

A Mountaineering Strategy to Excited States: Highly Accurate Energies and Benchmarks for Medium Sized Molecules

Published:2020-01-27 Issue:3 Volume:16 Page:1711-1741
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Loos Pierre-François¹^ORCID,Lipparini Filippo²^ORCID,Boggio-Pasqua Martial¹^ORCID,Scemama Anthony¹,Jacquemin Denis³^ORCID

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques, CNRS et Université Toulouse III - Paul Sabatier, 118 route de Narbonne, 31062 Toulouse, France

2. Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Moruzzi 3, 56124 Pisa, Italy

3. CEISAM Lab, UMR 6230, Université de Nantes, CNRS, F-44000 Nantes, France

Funder

Agence Nationale de la Recherche

Centre National de la Recherche Scientifique

R?gion des Pays de la Loire

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01216

Reference257 articles.

1. Casida, M. E. In Time-Dependent Density-Functional Response Theory for Molecules; Chong, D. P., Ed.; Recent Advances in Density Functional Methods; World Scientific: Singapore, 1995; Vol. 1; pp 155–192.

2. The calculations of excited-state properties with Time-Dependent Density Functional Theory

3. TD-DFT benchmarks: A review

4. Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

Cited by 144 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. Singlet–Triplet Inversion in Triangular Boron Carbon Nitrides;Journal of Chemical Theory and Computation;2024-09-12

2. Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/GW, and Wave Function Methods;Journal of Chemical Theory and Computation;2024-09-05

3. An Improved Penalty-Based Excited-State Variational Monte Carlo Approach with Deep-Learning Ansatzes;Journal of Chemical Theory and Computation;2024-08-30

4. Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction;Journal of Chemical Theory and Computation;2024-08-30

5. Molecular Ionization Energies from GW and Hartree–Fock Theory: Polarizability, Screening, and Self-Energy Vertex Corrections;Journal of Chemical Theory and Computation;2024-08-27

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