Spin-orbit effects calculated by two-component coupled-cluster methods: test calculations on AuH, Au2, TlH and Tl2
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference34 articles.
1. Spin-Orbit Coupling and Other Relativistic Effects in Atoms and Molecules
2. Effective Potentials in Molecular Quantum Chemistry
3. Kramers' restricted hartree?fock method for polyatomic molecules usingab initio relativistic effective core potentials with spin?orbit operators
4. Kramers' unrestricted Hartree-Fock and second-order M�ller-Plesset perturbation methods using relativistic effective core potentials with spin-orbit operators: Test calculations for HI and CH3I
5. Second-order Møller-Plesset perturbation theory calculations with relativistic effective core potentials including spin-orbit operators
Cited by 98 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. Cholesky Decomposition-Based Implementation of Relativistic Two-Component Coupled-Cluster Methods for Medium-Sized Molecules;Journal of Chemical Theory and Computation;2024-01-10
2. Relativistic Effects From Coupled-Cluster Theory;Comprehensive Computational Chemistry;2024
3. Exploring the Structure and Bonding of Group 13 Homogeneous and Heterogeneous Hydrides with the X2H4 Stoichiometry: A Theoretical Investigation;Inorganic Chemistry;2023-05-08
4. Route to Chemical Accuracy for Computational Uranium Thermochemistry;J CHEM THEORY COMPUT;2022
5. Route to Chemical Accuracy for Computational Uranium Thermochemistry;Journal of Chemical Theory and Computation;2022-10-07
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