Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Tight-binding approximations to time-dependent density functional theory — A fast approach for the calculation of electronically excited states

Published:2016-05-14 Issue:18 Volume:144 Page:184103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Rüger Robert¹²³,van Lenthe Erik¹,Heine Thomas³,Visscher Lucas²^ORCID

Affiliation:

1. Scientific Computing & Modelling NV, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

2. Department of Theoretical Chemistry, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

3. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Linnéstr. 2, 04103 Leipzig, Germany

Funder

Seventh Framework Programme (FP7)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4948647

Reference69 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon

4. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme

5. Simplified LCAO Method for the Periodic Potential Problem

Cited by 45 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. Cu₆₆ nanoclusters from hierarchical square motifs: Synthesis, assembly, and catalysis;Aggregate;2024-08-22

2. Implementation of energy and gradient for the TDDFT-approximate auxiliary function (aas) method;The Journal of Chemical Physics;2024-07-09

3. Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations;The Journal of Chemical Physics;2024-07-03

4. The eXact integral simplified time-dependent density functional theory (XsTD-DFT);The Journal of Chemical Physics;2024-05-28

5. The role of the coupling matrix elements in time-dependent density functional theory on the simulation of core-level spectra of transition metal complexes;Electronic Structure;2024-03-01

同舟云学术

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