Renormalized site density functional theory for models of ion hydration

2021 ◽  
Vol 155 (6) ◽  
pp. 064501
Author(s):  
Gennady N. Chuev ◽  
Marina V. Fedotova ◽  
Marat Valiev
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Ion Hydration ◽  
Functional Theory ◽  
Site Density

scholarly journals Renormalized site density functional theory

2021 ◽  
Vol 2021 (3) ◽  
pp. 033205
Author(s):  
Gennady N Chuev ◽  
Marina V Fedotova ◽  
Marat Valiev
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Site Density

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

What correlation effects are covered by density functional theory?

2000 ◽  
Vol 98 (20) ◽  
pp. 1639-1658 ◽  
Author(s):  
Yuan He, Jurgen Grafenstein, Elfi Kraka,
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Correlation Effects ◽  
Functional Theory
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