Systematic construction of basis subsets of higher angular momentum functions in electron correlation energy calculations
Author:
Publisher
IOP Publishing
Subject
Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference82 articles.
1. Basis Sets
2. Benchmark calculations with correlated molecular wave functions. X. Comparison with “exact” MP2 calculations on Ne, HF, H2O, and N2
3. On the accuracy of the algebraic approximation in molecular electronic structure calculations. I. Calculations for H2+, HeH2+, H2and HeH+using basis sets of atom-centred Gaussian-type functions
4. On the accuracy of the algebraic approximation in molecular electronic structure calculations. II. Comparison of diatomic molecule self-consistent field calculations using basis sets of elliptical functions with fully numerical Hartree-Fock studies
Cited by 13 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. New benchmarks for the second-order correlation energies of Ne and Ar through the finite element MP2 method;International Journal of Quantum Chemistry;2008
2. Towards benchmark second-order correlation energies for large atoms. II. Angular extrapolation problems;The Journal of Chemical Physics;2006-03-14
3. Basic Elements of Relativistic Atomic and Molecular Quantum Mechanics;Theoretical Chemistry and Physics of Heavy and Superheavy Elements;2003
4. On the Estimation of the Remainder Term in Møller-Plesset MP2 Theory from Limited Configuration Interaction;International Journal of Molecular Sciences;2002-05-31
5. Basis set limit binding energies of dimers derived from basis set convergence of monomer energies;The Journal of Chemical Physics;2002-04
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