Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory
Author:
Affiliation:
1. Institut für Chemie Theoretische Chemie/Quantenchemie, Technische Universität Berlin, Sekr. C7 Straße des 17. Juni 135, D-10623, Berlin, Germany
Funder
Deutsche Forschungsgemeinschaft
Land Berlin
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00624
Reference69 articles.
1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2. Excitonic Effects in Solids Described by Time-Dependent Density-Functional Theory
3. Electronic excitations: density-functional versus many-body Green’s-function approaches
4. Bootstrap Approximation for the Exchange-Correlation Kernel of Time-Dependent Density-Functional Theory
5. Excitons in Organics Using Time-Dependent Density Functional Theory: PPV, Pentacene, and Picene
Cited by 58 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. Chemically Accurate Singlet–Triplet Gaps of Arylcarbenes from Local Hybrid Density Functionals;The Journal of Physical Chemistry A;2024-07-16
2. Combining Local Range Separation and Local Hybrids: A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional;The Journal of Physical Chemistry A;2024-06-21
3. Toward the Next Generation of Density Functionals: Escaping the Zero-Sum Game by Using the Exact-Exchange Energy Density;Accounts of Chemical Research;2024-06-21
4. Comment on: “Toward Accurate Two-Photon Absorption Spectrum Simulations: Exploring the Landscape beyond the Generalized Gradient Approximation”;The Journal of Physical Chemistry Letters;2024-06-13
5. Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term;Journal of Chemical Theory and Computation;2024-04-16
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