Can G4-like composite Ab Initio methods accurately predict vibrational harmonic frequencies?
Author:
Affiliation:
1. Dept. of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reḥovot, Israel
Funder
Israel Science Foundation
Minerva Foundation
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2023.2263593
Reference152 articles.
1. S. Yurchenko, Computational Spectroscopy of Polyatomic Molecules (CRC Press, Boca Raton, 2023).
2. Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
3. Computational molecular spectroscopy
4. Applications of DFT + DMFT in Materials Science
5. Accuracy and Interpretability: The Devil and the Holy Grail. New Routes across Old Boundaries in Computational Spectroscopy
Cited by 3 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. Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry;The Journal of Physical Chemistry A;2024-07-06
2. Capturing interference variations of atomic motion in vibrational modes by non-resonant Raman images;Molecular Physics;2024-03-18
3. Simple Composite Approach to Efficiently Estimate Basis Set Limit CCSD(T) Harmonic Frequencies and Reaction Thermochemistry;The Journal of Physical Chemistry A;2023-11-16
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