Does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference22 articles.
1. The full versus the virtual counterpoise correction for basis set superposition error in self-consistent field calculations
2. Ab initio calculations on weakly bonded systems
3. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
4. An application of the functional Boys-Bernardi counterpoise method to molecular potential surfaces
5. Perturbativeab initio calculations of intermolecular energies. I. Method
Cited by 93 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. Enhanced Li+ ion adsorption on pristine and defected graphene via organic radical interaction – A DFT study;Physica B: Condensed Matter;2021-06
2. Size consistency and counterpoise correction in explicitly correlated calculations of interaction energies and interaction-induced properties;Physical Review A;2019-03-29
3. Halogen, Chalcogen, and Pnicogen Bonding Involving Hypervalent Atoms;Chemistry - A European Journal;2018-05-09
4. Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C;The Journal of Chemical Physics;2017-06-21
5. Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory;The Journal of Chemical Physics;2016-05-18
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