Time-dependent current density functional theory on a lattice

I. V. Tokatly

首页> 外文期刊>Physical review >Time-dependent current density functional theory on a lattice

【24h】

Time-dependent current density functional theory on a lattice

机译：时变电流密度泛函理论

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

A rigorous formulation of time-dependent current density functional theory (TDCDFT) on a lattice is presented. The density-to-potential mapping and the V-representability problems are reduced to a solution of a certain nonlinear lattice Schrodinger equation, to which the standard existence and uniqueness results for nonlinear differential equations are applicable. For two versions of the lattice TDCDFT, we prove that any continuous-in-time current density is locally V-representable (both interacting and noninteracting), provided that in the initial state the local kinetic energy is nonzero everywhere. In most cases of physical interest, the V-representability should also hold globally in time. These results put the application of TDCDFT to any lattice model on a firm foundation, and pave the way for studying exact properties of exchange-correlation potentials.

机译：提出了时变电流密度泛函理论（TDCDFT）在晶格上的严格表述。密度-电位映射和V-可表示性问题被简化为某个非线性晶格Schrodinger方程的解，适用于非线性微分方程的标准存在性和唯一性结果。对于两个版本的TDCDFT晶格，我们证明了任何连续的时间电流密度都可以局部用V表示（相互作用和不相互作用），前提是在初始状态下局部动能在任何地方都不为零。在大多数有身体利益的情况下，V表示性也应及时全局保持。这些结果为将TDCDFT应用于任何晶格模型奠定了坚实的基础，并为研究交换相关电位的精确特性铺平了道路。

著录项

来源
《Physical review》 |2011年第3期|p.035127.1-035127.8|共8页
作者
I. V. Tokatly;
展开▼
作者单位

Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento de Fisica de Materiales,Universidad del Pais Vasco UPV/EHU, E-20018 San Sebastian, Spain and IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao, Spain;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词
lattice fermion models (hubbard model, etc.);

机译：格子费米子模型（哈伯德模型等）;

相似文献

外文文献
中文文献
专利

1. Vortex dynamics in the current-density of helium atom evolving in a time-dependent magnetic field: Exchange-correlation functionals of time-dependent current-density functional theory [J] . Vikas Chemical Physics Letters . 2008,第1a3期

机译：随时间变化的磁场中氦原子电流密度中的涡旋动力学：随时间变化的电流密度泛函理论的交换相关泛函
2. Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain [J] . I. V. Tokatly Physical chemistry chemical physics: PCCP . 2009,第22期

机译：基于时变电流泛函的时变电流密度泛函理论：时域约束搜索公式
3. Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain [J] . I. V. Tokatly Physical chemistry chemical physics: PCCP . 2009,第22期

机译：基于时变电流泛函的时变电流密度泛函理论：时域约束搜索公式
4. The photoluminescence properties of the alkali metals functionalized adamantane studied by using linear-response time-dependent density functional theory (TD-DFT) calculations [C] . Nikorn Shinsuphan, Sriprajak Krongsuk, Vittaya Amornkitbamrung Thailand International Nanotechnology Conference . 2016

机译：使用线性响应时间依赖性密度泛函理论（TD-DFT）计算研究了碱金属的光致发光性能。通过使用线性响应时间依赖性密度函数（TD-DFT）计算研究
5. Tuned density functional theory applied in time-dependent density functional theory calculations of optical and chiroptical properties. [D] . Moore, Barry E., II. 2016

机译：调整后的密度泛函理论应用于随时间变化的光学和按摩特性的密度泛函理论计算。
6. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study [O] . Guo-Jun Kang, Chao Song, Xue-Feng Ren 2016

机译：D-π-A型卟啉染料中电荷转移的增强：密度泛函理论（DFT）和时变密度泛函理论（TD-DFT）的研究
7. Time-dependent current density functional theory via time-dependent deformation functional theory: a constrained search formulation in the time domain [O] . Tokatly, I. V. 2009

机译：基于时变电流泛函的时变电流密度泛函理论：时域约束搜索公式

Time-dependent current density functional theory on a lattice

摘要

著录项

相似文献

相关主题

期刊订阅