Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity
Author:
Affiliation:
1. Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305, USA
2. SLAC National Accelerator Laboratory, Menlo Park, California 94025, USA
Funder
National Science Foundation (NSF)
U.S. Department of Defense (DOD)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/144/17/1.4948438.pdf?itemId=/content/aip/journal/jcp/144/17/10.1063/1.4948438&mimeType=pdf&containerItemId=content/aip/journal/jcp
Reference55 articles.
1. Note on an Approximation Treatment for Many-Electron Systems
2. Cooperativity and hydrogen bonding network in water clusters
3. High-Level Ab Initio Electronic Structure Calculations of Water Clusters (H2O)16 and (H2O)17: A New Global Minimum for (H2O)16
4. Assessment of the MP2 Method, along with Several Basis Sets, for the Computation of Interaction Energies of Biologically Relevant Hydrogen Bonded and Dispersion Bound Complexes
5. Integral approximations for LCAO-SCF calculations
Cited by 54 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. New physical insights into the supporting subspace factorization of XMS-CASPT2 and generalization to multiple spin states via spin-free formulation;The Journal of Chemical Physics;2024-03-25
2. High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients;Journal of Chemical Theory and Computation;2024-03-08
3. Tensor Hypercontraction of Cluster Perturbation Theory: Quartic Scaling Perturbation Series for the Coupled Cluster Singles and Doubles Ground-State Energies;Journal of Chemical Theory and Computation;2024-02-21
4. Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs;Journal of Chemical Theory and Computation;2024-02-02
5. State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms;Chemical Science;2024
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