Can the ground state energy of H+2be obtained to sub-microhartree accuracy with a basis set of s-type Gaussian functions?
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268979300102391
Reference32 articles.
1. Basis sets for molecular calculations
2. Basis set selection for molecular calculations
3. Basis Sets
4. Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
5. X-ray scattering by aggregates of bonded atoms. III. The bond scattering factor: simple methods of approximation in the general case
Cited by 29 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. Possibilities of Distributive Gaussian sp-Functions for Calculating the Correlation Energy of Molecules in the Ground and Excited States;Optics and Spectroscopy;2021-02
2. Floating orbital molecular dynamics simulations;Physical Chemistry Chemical Physics;2014
3. On the Coulson–Fischer wave function for theX1A′ H+3molecular ion: parametrisation using distributed Gaussian basis sets;Molecular Physics;2013-08-28
4. Distributed Gaussian basis sets: a comparison with finite difference Hartree–Fock calculations for potential energy curves of H2, LiH and BH;Journal of Physics B: Atomic, Molecular and Optical Physics;2008-10-01
5. On the modeling of molecular distributed basis sets from spherical Gaussian functions;Optics and Spectroscopy;2007-02
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