Exact formulas and their evaluation for Slater-type-orbital overlap integrals with large quantum numbers
Author:
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevA.35.1923/fulltext
Reference12 articles.
1. Unified analytical treatment of overlap, two-center nuclear attraction, and Coulomb integrals ofBfunctions via the Fourier-transform method
2. Efficient evaluation of infinite-series representations for overlap, two-center nuclear attraction, and Coulomb integrals using nonlinear convergence accelerators
3. Analytic evaluation of two-center molecular integrals
4. Molecular overlap integrals with exponential‐type orbitals
5. Numerical properties of the convolution theorems ofBfunctions
Cited by 36 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. Alternative analytically calculation procedure of two-center kinetic energy integral in molecular coordinate system;AIP Conference Proceedings;2017
2. Use of binomial coefficients in fast and accurate calculation of Löwdin-α radial functions;Journal of Mathematical Chemistry;2010-10-01
3. Hartree-Fock-Roothaan calculations for ground states of some atoms using minimal basis sets of integer and noninteger n-STOs;Chinese Journal of Chemistry;2010-08-26
4. Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin α-radial function and Guseinov’s two-center charge density expansion formulae;Journal of Mathematical Chemistry;2009-07-25
5. Use of auxiliary functions $${Q_{ns}^q}$$ and $${G_{-ns}^q}$$ in evaluation of multicenter integrals over integer and noninteger n-Slater type orbitals arising in Hartree–Fock–Roothaan equations for molecules;Journal of Mathematical Chemistry;2008-08-22
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