Positron States at Li- and O-adsorbed Fe(001) Ferromagnetic Surfaces Studied by Two-Component Density Functional Theory

2016 ◽  
Vol 85 (11) ◽  
pp. 114703 ◽  
Author(s):  
Satoshi Hagiwara ◽  
Kazuyuki Watanabe
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Positron States ◽  
Two Component

First-Principles Study on Positron States at Li-Adsorbed Al(100) Surfaces: Effect of Electron-Positron Correlation

2017 ◽  
Vol 373 ◽  
pp. 46-49 ◽  
Author(s):  
Satoshi Hagiwara ◽  
Yasumitsu Suzuki ◽  
Kazuyuki Watanabe
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Generalized Gradient ◽  
Local Electron ◽  
Functional Theory ◽  
Positron States ◽  
Generalized Gradient Approximation ◽  
Electron Positron ◽  
Two Component

We investigated positron states at Li-adsorbed Al(100) surfaces using \textit{ab-initio} two-component density functional theory. The results thus obtained by using semi-local electron-positron (e-p) correlation functionals with the generalized gradient approximation well reproduce the experimental results, showing that reliable e-p correlation functionals are needed to properly describe the various properties of positron surface state.

scholarly journals Real time propagation of the exact two component time-dependent density functional theory

2016 ◽  
Vol 145 (10) ◽  
pp. 104107 ◽  
Author(s):  
Joshua J. Goings ◽  
Joseph M. Kasper ◽  
Franco Egidi ◽  
Shichao Sun ◽  
Xiaosong Li
Keyword(s):  
Density Functional Theory ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Two Component ◽  
Time Propagation ◽  
Component Time ◽  
Dependent Density
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