Hybrid functionals with system‐dependent parameters: Conceptual foundations and methodological developments
Author:
Affiliation:
1. Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering, Peking University Beijing China
2. Division of Chemistry and Chemical Engineering California Institute of Technology Pasadena California USA
Funder
National Key Research and Development Program of China
National Natural Science Foundation of China
Publisher
Wiley
Subject
Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1476
Reference176 articles.
1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals
2. The density functional formalism, its applications and prospects
3. Density functional theory: Its origins, rise to prominence, and future
4. Challenges for Density Functional Theory
Cited by 11 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. Theoretical study of short-range exchange interaction based on semiconductor dielectric function model toward time-dependent dielectric density functional theory;The Journal of Chemical Physics;2024-07-01
2. Investigation of ultra wide bandgap Flouro-perovskite materials RBeF3 (R K and Li) for smart window applications: A DFT study;Heliyon;2024-04
3. First-principles calculations constrain the microscopic mechanisms of the macroscopic geological features;Acta Petrologica Sinica;2024
4. Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature;npj Computational Materials;2022-11-15
5. First-principles investigation of structural, electronic, optical, and mechanical properties of Na-based fluoro-perovskites NaXF3: (X = Ni, Co, Be, Ba);Optik;2022-11
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