scholarly journals Three-phase equilibria in density-functional theory: Interfacial tensions

2019 ◽  
Vol 150 (16) ◽  
pp. 164701
Author(s):  
Kenichiro Koga ◽  
Joseph O. Indekeu
Keyword(s):  
Density Functional Theory ◽  
Phase Equilibria ◽  
Density Functional ◽  
Functional Theory ◽  
Interfacial Tensions ◽  
Three Phase

scholarly journals The vicinity of an equilibrium three-phase contact line using density-functional theory: density profiles normal to the fluid interface

2018 ◽  
Vol 116 (17) ◽  
pp. 2239-2243 ◽  
Author(s):  
Andreas Nold ◽  
Luis González MacDowell ◽  
David N. Sibley ◽  
Benjamin D. Goddard ◽  
Serafim Kalliadasis
Keyword(s):  
Density Functional Theory ◽  
Contact Line ◽  
Density Functional ◽  
Phase Contact ◽  
Fluid Interface ◽  
Density Profiles ◽  
Functional Theory ◽  
Three Phase

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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