Density and chain conformation profiles of square-well chains confined in a slit by density-functional theory

2005 ◽  
Vol 123 (19) ◽  
pp. 194902 ◽  
Author(s):  
Zhencheng Ye ◽  
Jun Cai ◽  
Honglai Liu ◽  
Ying Hu
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Chain Conformation ◽  
Functional Theory ◽  
Square Well

Density Functional Theory of Square-well Chain Mixtures Near Solid Surface

2004 ◽  
Vol 30 (2-3) ◽  
pp. 143-147 ◽  
Author(s):  
Shuling Zhang ◽  
Jun Cai ◽  
Honglai Liu ◽  
Ying Hu
Keyword(s):  
Density Functional Theory ◽  
Solid Surface ◽  
Density Functional ◽  
Functional Theory ◽  
Square Well

scholarly journals Vapour–liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation

2017 ◽  
Vol 19 (19) ◽  
pp. 12296-12309 ◽  
Author(s):  
Francisco José Martínez-Ruiz ◽  
Felipe J. Blas ◽  
A. Ignacio Moreno-Ventas Bravo ◽  
José Manuel Míguez ◽  
Luis G. MacDowell
Keyword(s):  
Density Functional Theory ◽  
Surface Tension ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Density Functional ◽  
Liquid Surface ◽  
Interfacial Properties ◽  
Functional Theory ◽  
Liquid Surface Tension ◽  
Square Well

Vapour–liquid surface tension for tangent (open symbols) and vibrating (filled symbols) square-well chains.

scholarly journals Studies on the density profiles of square-well chain fluid confined in a slit pore by density functional theory

2005 ◽  
Vol 54 (9) ◽  
pp. 4044
Author(s):  
Ye Zhen-Cheng ◽  
Cai Jun ◽  
Zhang Shu-Ling ◽  
Liu Hong-Lai ◽  
Hu Ying
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Profiles ◽  
Functional Theory ◽  
Slit Pore ◽  
Square Well

A perturbative density functional theory for square-well fluids

2011 ◽  
Vol 134 (17) ◽  
pp. 174702 ◽  
Author(s):  
Zhehui Jin ◽  
Yiping Tang ◽  
Jianzhong Wu
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Square Well

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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