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.

引用

页数：15

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