Geometrical perspective on spin-lattice density-functional theory

被引:0
|
作者
Penz, Markus [1 ,2 ,3 ]
van Leeuwen, Robert [4 ]
机构
[1] Max Planck Inst Struct & Dynam Matter, Hamburg, Germany
[2] Ctr Free Electron Laser Sci, Hamburg, Germany
[3] Oslo Metropolitan Univ, Dept Comp Sci, Oslo, Norway
[4] Univ Jyvaskyla, Nanosci Ctr, Dept Phys, Jyvaskyla, Finland
来源
JOURNAL OF CHEMICAL PHYSICS | 2024年 / 161卷 / 15期
基金
芬兰科学院;
关键词
POTENTIALS; EXCHANGE; ALGORITHMS;
D O I
10.1063/5.0230494
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A recently developed viewpoint on the fundamentals of density-functional theory for finite interacting spin-lattice systems that centers around the notion of degeneracy regions is presented. It allows for an entirely geometrical description of the Hohenberg-Kohn theorem and v-representability. The phenomena receive exemplification by an Anderson impurity model and other small-lattice examples. The case of adiabatic change and the time-dependent setting are examined as well.
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页数:15
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