Avoiding the integral storage bottleneck in LCAO calculations of electron correlation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference24 articles.
1. P.R. Taylor, private communication.
2. AB initio studies on the thermodynamic stability of the icosahedral C60 molecule “buckminsterfullerene”
3. Principles for a directSCFapproach toLICAO-MOab-initiocalculations
Cited by 742 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. A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules;The Journal of Physical Chemistry A;2024-02-06
2. Structural studies of catalytic peptides using molecular dynamics simulations;Methods in Enzymology;2024
3. Global minimum and a heap of low-lying isomers with planar tetracoordinate carbon in the CAl3MgH2− system;Physical Chemistry Chemical Physics;2024
4. Theoretical study of (e,2e) triple differential cross section of 1b3g orbital of ethylene by vibrational multi-center distorted-wave method;Chinese Physics B;2023-11-01
5. Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin;Journal of Inorganic Biochemistry;2023-09
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