Active Space Dependence in Multiconfiguration Pair-Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, Minneapolis, Minnesota 55455-0431, United States
Funder
Air Force Office of Scientific Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b01052
Reference87 articles.
1. Theoretical models incorporating electron correlation
2. The Method of Configuration Interaction
3. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
Cited by 24 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. The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional Theory;The Journal of Physical Chemistry A;2024-07-25
2. Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations;ACS Central Science;2024-03-27
3. Variational Pair-Density Functional Theory: Dealing with Strong Correlation at the Protein Scale;Journal of Chemical Theory and Computation;2024-01-13
4. Origin of the Failure of Density Functional Theories in Predicting Inverted Singlet–Triplet Gaps;The Journal of Physical Chemistry A;2022-02-11
5. Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory;Chemical Science;2022
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