Large-scale correlated electronic structure calculations: the RI-MP2 method on parallel computers
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference35 articles.
1. Use of approximate integrals in ab initio theory. An application in MP2 energy calculations
2. Integral approximations for LCAO-SCF calculations
3. Coupled‐cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks
4. On some approximations in applications ofXα theory
5. Fitting the Coulomb potential variationally in linear-combination-of-atomic-orbitals density-functional calculations
Cited by 217 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. Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation;Journal of Chemical Theory and Computation;2024-09-02
2. Ionization of small atmospheric acid–base clusters and its prospective role in seeding the growth of aqueous clusters;International Journal of Mass Spectrometry;2024-09
3. Self-Association and Microhydration of Phenol: Identification of Large-Amplitude Hydrogen Bond Librational Modes;Molecules;2024-06-25
4. Complex-Valued K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Large-Scale Hybrid Functional Enabled Ab Initio Molecular Dynamics Simulations within Plane Waves;The Journal of Physical Chemistry A;2024-03-02
5. Phase equilibria modeling of cross-associating systems guided by a quantum chemical multi-conformational framework;Chemical Engineering Science;2024-02
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