基本信息
浏览量:101
职业迁徙
个人简介
The vision of first-principles condensed matter theory is to reduce all properties of a material to its underlying electronic structure. The basic framework is provided by quantum mechanics and statistical mechanics, and the interactions between nuclei and electrons are known from Maxwell’s theory of electromagnetism. Thus, as P.A.M. Dirac pointed out long ago, in principle the problem is solved. Doing it in practice is another matter and requires clever approximations and fast supercomputers. Ultimately out of the complexity of the interactions, new phenomena emerge. In practice, this vision is realized to a great extent by density functional theory, which allows one to replace the complex many-body wave function by the electron density as the basic quantity of interest. Although (mostly) limited to the ground state, it allows one already to study structure, bonding and vibrational properties of solids, molecules, defects in solids, and nanoscale systems. Many-body perturbation theory allows one to also tackle the one-particle and two-particle excitations, i.e. the band structure and the optical properties. Challenges continue to exist to address strongly correlated electronic systems for which the currently available functionals or many-body perturbation theory approaches are found to be insufficient. The other challenge is to apply the current methods to systems of ever increasing complexity.
研究兴趣
论文共 500 篇作者统计合作学者相似作者
按年份排序按引用量排序主题筛选期刊级别筛选合作者筛选合作机构筛选
时间
引用量
主题
期刊级别
合作者
合作机构
Vitaly Gorelov,Lucia Reining,Martin Feneberg, Rüdiger Goldhahn,André Schleife,Walter R. L. Lambrecht,Matteo Gatti
npj Computational Materialsno. 1 (2024): 1-1
Physical Review Bno. 12 (2024)
arxiv(2024)
引用0浏览0引用
0
0
Niloufar Dadkhah,Walter R. L. Lambrecht
Physical Review Bno. 19 (2024)
Physical Chemistry Chemical Physicsno. 5 (2023): 4349-4351
PHYSICAL REVIEW Bno. 15 (2023)
加载更多
作者统计
合作学者
合作机构
D-Core
- 合作者
- 学生
- 导师
数据免责声明
页面数据均来自互联网公开来源、合作出版商和通过AI技术自动分析结果,我们不对页面数据的有效性、准确性、正确性、可靠性、完整性和及时性做出任何承诺和保证。若有疑问,可以通过电子邮件方式联系我们:report@aminer.cn