Adsorption Isoterms and Capillary Condensation in a Nanoslit with Rough Walls: A Density Functional Theory

Langmuir ◽  
2012 ◽  
Vol 28 (31) ◽  
pp. 11384-11390 ◽  
Author(s):  
Gersh O. Berim ◽  
Eli Ruckenstein
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Capillary Condensation ◽  
Functional Theory ◽  
Rough Walls

Capillary Condensation of Associating Fluids in Slit-Like Pores: A Density Functional Theory

1999 ◽  
Vol 214 (1) ◽  
pp. 91-100 ◽  
Author(s):  
Krzysztof Stepniak ◽  
Andrzej Patrykiejew ◽  
Zofia Sokołowska ◽  
Stefan Sokołowski
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Capillary Condensation ◽  
Associating Fluids ◽  
Functional Theory

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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