Analytical Derivative Methods in Quantum Chemistry
Author:
Publisher
John Wiley & Sons, Inc.
Reference168 articles.
1. Analytical gradients for the coupled-cluster method
2. The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional
3. Calcul des constantes de force de la mol�cule CH4 � l'aide des fonctions d'onde �lectroniques
4. Calcul électronique des constantes de force et du spectre infrarouge des molécules H2O et D2O
5. Basis set considerations for the calculation of gradients in the lcao formalism
Cited by 123 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. Comparison of different density functional theory methods for the calculation of vibrational circular dichroism spectra;Chirality;2023-05-25
2. Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments;The Journal of Chemical Physics;2023-05-23
3. Localized Quantum Chemistry on Quantum Computers;Journal of Chemical Theory and Computation;2022-11-08
4. Static polarizabilities within the generalized Kohn–Sham semicanonical projected random phase approximation (GKS-spRPA);The Journal of Chemical Physics;2022-10-28
5. Theory of analytical energy derivatives for the variational quantum eigensolver;Physical Review Research;2020-02-05
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