Analytical Energy Gradients for Excited-State Coupled-Cluster Methods: Automated Algebraic Derivation of First Derivatives for Equation-of-Motion Coupled-Cluster and Similarity Transformed Equation-of-Motion Coupled-Cluster Theories
Author:
Publisher
Elsevier
Reference167 articles.
1. A new method for excited states: Similarity transformed equation-of-motion coupled-cluster theory
2. Similarity transformed equation-of-motion coupled-cluster study of ionized, electron attached, and excited states of free base porphin
3. Similarity transformed equation-of-motion coupled-cluster theory: Details, examples, and comparisons
4. Theoretical Study of the Bicyclic Nitrogen Tetroxide Cation, NO4+
5. Coupled-cluster calculations of the electronic excitation spectrum of free base porphin in a polarized basis
Cited by 26 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. Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations;Journal of Chemical Theory and Computation;2024-08-30
2. How Coupled-Cluster Theory is Solving the Electron Correlation Problem;Comprehensive Computational Chemistry;2024
3. p†q: a tool for prototyping many-body methods for quantum chemistry;Molecular Physics;2021-07-23
4. An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark;The Journal of Chemical Physics;2021-07-07
5. A Fock space coupled cluster based probing of the single- and double-ionization profiles for the poly-cyclic aromatic hydrocarbons and conjugated polyenes;The Journal of Chemical Physics;2021-03-21
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