Quintic-scaling rank-reduced coupled cluster theory with single and double excitations
Author:
Affiliation:
1. Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland
Funder
Fundacja na rzecz Nauki Polskiej
Narodowa Agencja Wymiany Akademickiej
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0071916
Reference165 articles.
1. An Introduction to Coupled Cluster Theory for Computational Chemists
2. Coupled-cluster theory in quantum chemistry
3. A fifth-order perturbation comparison of electron correlation theories
4. A direct coupled cluster algorithm for massively parallel computers
5. Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories
Cited by 7 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. Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives;Journal of Chemical Theory and Computation;2023-10-25
2. Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations;The Journal of Chemical Physics;2023-04-12
3. Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory;Journal of Chemical Theory and Computation;2023-02-17
4. When Gold Is Not Enough: Platinum Standard of Quantum Chemistry with N7 Cost;Journal of Chemical Theory and Computation;2022-10-31
5. Geometric interpretation for coupled-cluster theory. A comparison of accuracy with the corresponding configuration interaction model;The Journal of Chemical Physics;2022-08-28
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