How to make symmetry-adapted perturbation theory more accurate?
Author:
Funder
National Science Foundation
Narodowe Centrum Nauki
Publisher
Elsevier
Reference99 articles.
1. A New Energy Decomposition Scheme for Molecular Interactions Within the Hartree-Fock Approximation;Kitaura;Int. J. Quantum Chem.,1976
2. Unravelling the Origin of Intermolecular Interactions Using Absolutely Localized Molecular Orbitals;Khaliullin;J. Phys. Chem. A,2007
3. Über das Verhältnis der van der Waalsschen Kräfte zu den homöopolaren Bindungskräften;Eisenschitz;Z. Phys.,1930
4. First-Order Perturbation Treatment of the Short-Range Repulsion in a System of Many Closed-Shell Atoms or Molecules;Jeziorski;Int. J. Quantum Chem.,1976
5. On the Convergence Properties of the Rayleigh-Schrödinger and Hirschfelder-Silbey Perturbation Expansions for Molecular Interaction Energies;Chałasiński;Int. J. Quantum Chem.,1977
Cited by 4 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. Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study;The Journal of Physical Chemistry A;2024-10-01
2. Range Separation of the Interaction Potential in Intermolecular and Intramolecular Symmetry-Adapted Perturbation Theory;Journal of Chemical Theory and Computation;2024-09-10
3. Intermolecular interaction energies with AROFRAG–A systematic approach for fragmentation of aromatic molecules;Journal of Computational Chemistry;2024-07
4. Efficient Calculation of the Dispersion Energy for Multireference Systems with Cholesky Decomposition: Application to Excited-State Interactions;The Journal of Physical Chemistry Letters;2023-07-26
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1.7亿篇,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 © 2019-2025 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