Electron correlation effects of the ThO and ThS molecules in the spinor basis. A relativistic coupled cluster study of ground and excited states properties
Author:
Affiliation:
1. Institute of Physics, Faculty of Physics
2. Astronomy and Informatics
3. Nicolaus Copernicus University in Torun
4. 87-100 Torun
5. Poland
6. Department of Chemistry and Chemical Biology
7. McMaster University
8. Hamilton
9. Canada
Abstract
Our study provides a reliable set of spectroscopic parameters and a detailed analysis of the electron correlation effects in the ThO and ThS molecules.
Funder
Narodowe Centrum Nauki
Consejo Nacional de Ciencia y Tecnología
Natural Sciences and Engineering Research Council of Canada
H2020 Marie Skłodowska-Curie Actions
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP00048D
Reference85 articles.
1. Bound states of a many-particle system
2. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
3. Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst
4. Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BH3Molecule
5. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
Cited by 8 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. Ab initio potential energy surfaces and spectroscopic and radiative properties of the low-lying states of the radium monohydroxide RaOH radical;Journal of Quantitative Spectroscopy and Radiative Transfer;2024-02
2. Ab initio study of electronic states and radiative properties of the AcF molecule;The Journal of Chemical Physics;2023-09-22
3. Theoretical molecular spectroscopy of actinide compounds: the ThO molecule;Molecular Physics;2023-07-26
4. A configuration interaction correction on top of pair coupled cluster doubles;Physical Chemistry Chemical Physics;2023
5. Ab initio study on the spectroscopic and radiative properties of the low-lying states of the radium monoiodide RaI molecule;Journal of Quantitative Spectroscopy and Radiative Transfer;2022-07
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