CASSCF version of density functional theory
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference69 articles.
1. ; Density Functional Theory of Atoms and Molecules; Oxford University Press: 1989.
2. Singlet unrestricted Hartree-Fock Slater (UHFS) model for unstable metalmetal bonds
3. Configuration interaction (CI), coupled-cluster (CC) and many-body perturbation (MBPT) approaches in the unrestricted Hartree—Fock—Slater (UHFS) model
4. Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory
Cited by 19 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. Variational Density Functional Calculations of Excited States: Conical Intersection and Avoided Crossing in Ethylene Bond Twisting;The Journal of Physical Chemistry Letters;2022-04-28
2. Spin-Flip Pair-Density Functional Theory: A Practical Approach To Treat Static and Dynamical Correlations in Large Molecules;Journal of Chemical Theory and Computation;2021-04-16
3. The devil in the details: A tutorial review on some undervalued aspects of density functional theory calculations;International Journal of Quantum Chemistry;2020-06-27
4. Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods;The Journal of Physical Chemistry A;2020-04-10
5. The DFT/MRCI method;WIREs Computational Molecular Science;2018-10-23
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