Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework
Author:
Affiliation:
1. Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, United States
Funder
Division of Chemistry
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01120
Reference74 articles.
1. Proton-Coupled Electron Transfer: Moving Together and Charging Forward
2. Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
3. A refined ring polymer molecular dynamics theory of chemical reaction rates
4. Nuclear Quantum Effects in Water
5. Nuclear Quantum Effects in Solids Using a Colored-Noise Thermostat
Cited by 62 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. Simulating Polaritonic Ground States on Noisy Quantum Devices;The Journal of Physical Chemistry Letters;2024-01-29
2. How Coupled-Cluster Theory is Solving the Electron Correlation Problem;Comprehensive Computational Chemistry;2024
3. Quantifying errors of electron-proton/muon correlation functionals through the Kohn-Sham inversion of a two-component model system;Physical Review B;2023-12-22
4. Toward Accurate Post-Born–Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals;Journal of Chemical Theory and Computation;2023-12-11
5. Cavity Click Chemistry: Cavity-Catalyzed Azide–Alkyne Cycloaddition;The Journal of Physical Chemistry A;2023-11-22
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