Understanding density functional theory (DFT) and completing it in practice
Author:
Affiliation:
1. Southern University and A&M College in Baton Rouge (SUBR), Baton Rouge, Louisiana 70813, USA
Funder
National Science Foundation (NSF)
U.S. Department of Energy (DOE)
Publisher
AIP Publishing
Subject
General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4903408
Reference44 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Nobel Lecture: Electronic structure of matter—wave functions and density functionals
4. Predictions of electronic, structural, and elastic properties of cubic InN
5. Density functional band gaps of AlAs
Cited by 142 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. New lead-freeIodoantimonatehalide semiconductor: Synthesis, Structural characterization, DFT calculations, Hirshfeld surface, Thermal behavior, vibrational and optical properties;Journal of Molecular Structure;2025-02
2. Thieno[3,2-b]pyrrole as a privileged scaffold in medicinal chemistry: An exploration of synthetic strategies and anticancer attributes;Journal of Molecular Structure;2025-02
3. Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis;Materials Science in Semiconductor Processing;2025-01
4. Study of bond strength and electronic properties at the 6H-SiC/Al interface: Based on first-principles calculations;International Journal of Adhesion and Adhesives;2024-12
5. Second-harmonic generation effect enhanced by Li substitution for Na in Li1(LiXNa5−X)Mo9O30;Journal of Solid State Chemistry;2024-11
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