scholarly journals Demixing in athermal mixtures of colloids and excluded-volume polymers from density functional theory

2005 ◽  
Vol 122 (6) ◽  
pp. 064902 ◽  
Author(s):  
Paweł Bryk
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Excluded Volume ◽  
Functional Theory

scholarly journals Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach

2016 ◽  
Vol 18 (7) ◽  
pp. 5372-5385 ◽  
Author(s):  
Arturo Moncho-Jordá ◽  
Joachim Dzubiella
Keyword(s):  
Density Functional Theory ◽  
Salt Concentration ◽  
Density Functional ◽  
Functional Approach ◽  
Excluded Volume ◽  
Local Concentration ◽  
Functional Theory ◽  
Monovalent Ions ◽  
Microgel Particles ◽  
Theory Framework

In this work a new density functional theory framework is developed to predict the salt-concentration dependent swelling state of charged microgels and the local concentration of monovalent ions inside and outside the microgel.

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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