Population analysis with Wannier orbitals
Author:
Affiliation:
1. Centre for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India
2. Indo-Korea Science and Technology Center, Bangalore 560065, India
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0032605
Reference50 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Theory of static structural properties, crystal stability, and phase transformations: Application to Si and Ge
4. Ab initiocalculation of phonon dispersions in semiconductors
5. Momentum-space formalism for the total energy of solids
Cited by 5 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. Influence of alloying elements on the stability and segregation behavior of fcc-Fe/NbN interface by simulation;Vacuum;2024-10
2. Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials;Modelling and Simulation in Materials Science and Engineering;2024-06-06
3. Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects;The Journal of Physical Chemistry C;2023-07-13
4. Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory Calculations;Journal of Chemical Theory and Computation;2023-06-20
5. Atomic disorder and Berry phase driven anomalous Hall effect in a Co2FeAl Heusler compound;Physical Review B;2022-01-18
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