Efficient and Rapid Numerical Evaluation of the Two-Electron, Four-Center Coulomb Integrals Using Nonlinear Transformations and Useful Properties of Sine and Bessel Functions

Author:

Safouhi Hassan

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modeling and Simulation,Numerical Analysis

Reference46 articles.

1. New developments in molecular orbital theory;Roothaan;Rev. Mod. Phys.,1951

2. Lectures on Exponential Decay of Solutions of Second-Order Elliptic Equations: Bounds of Eigenfunctions of N-body Schrödinger Operators;Agmon,1982

3. On the eigenfunctions of many-particle systems in quantum mechanics;Kato;Comm. Pure Appl. Math.,1957

4. The integral formulae for the variational solution of the molecular many-electron wave equation in terms of Gaussian functions with direct electronic correlation;Boys;Proc. Roy. Soc. A,1960

5. Ab initio Molecular Orbital Theory;Hehre,1986

Cited by 31 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. Numerical calculation of the Spherical Bessel Transform from Gaussian quadrature in the complex-plane;Computational and Theoretical Chemistry;2018-11

2. Modified B function basis sets with generalized hyperbolic cosine functions;Computational and Theoretical Chemistry;2018-03

3. Numerical transforms from position to momentum space via Gaussian quadrature in the complex plane;Computational and Theoretical Chemistry;2017-08

4. Fast Electron Repulsion Integrals for Molecular Coulomb Sturmians;Proceedings of MEST 2012: Exponential Type Orbitals for Molecular Electronic Structure Theory;2013

5. Parallel BDD-based monolithic approach for acoustic fluid-structure interaction;Computational Mechanics;2012-08-18

同舟云学术

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