Atomic MP2 correlation energies fast and accurately calculated by FEM extrapolations
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference24 articles.
1. Large multiconfiguration Hartree–Fock calculations on the hyperfine structure of B(2P) and the nuclear quadrupole moments of10B and11B
2. Solution of the Hartree-Fock-Slater equations for diatomic molecules by the finite-element method
3. Asymptotic error expansion and Richardson extranpolation for linear finite elements
4. Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes
Cited by 27 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. Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules;Journal of Chemical Theory and Computation;2023-10-04
2. Direct determination of optimal pair-natural orbitals in a real-space representation: The second-order Moller–Plesset energy;The Journal of Chemical Physics;2020-02-21
3. A review on non‐relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules;International Journal of Quantum Chemistry;2019-05-21
4. Coupled-Cluster in Real Space. 1. CC2 Ground State Energies Using Multiresolution Analysis;Journal of Chemical Theory and Computation;2017-11-07
5. Coupled-Cluster in Real Space. 2. CC2 Excited States Using Multiresolution Analysis;Journal of Chemical Theory and Computation;2017-10-27
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